| 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 | 36.9 | Very low | 41.3 | Very low | 190 Ų | 190 | 129.4 Ų | 129.4 | 94% | 0.936 | 65% | 0.654 | S | S | * | * | 0 | -53.1 | 0 | -111.7 | -167.6 | 166.1 | 0 | 0 | 113 | L3 L4 I5 | M1-L3 PolarHBondContact O-N 2.82Å; M1-L4 PolarHBondContact O-N 3.11Å; M1-L4 VanDerWaalsContact O-N 3.13Å; M1-I5 WeakPolarHBondContact O-CG1 3.22Å; M1-I5 PolarHBondContact O-N 2.83Å; M1-I5 VanDerWaalsContact O-N 3.09Å | |||
| 2 | V | 38.5 | Very low | 41.2 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 66% | 0.655 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -62.3 | -38.6 | 176.4 | 179.7 | 0 | 0 | 0 | 0 | 112.6 | L4 I5 I6 | V2-L4 VanDerWaalsContact C-N 3.33Å; V2-L4 PolarHBondContact O-N 2.77Å; V2-I5 PolarHBondContact O-N 3.03Å; V2-I6 HydrophobicContact CG1-CD1 3.95Å; V2-I6 VanDerWaalsContact O-CG1 3.29Å; V2-I6 WeakPolarHBondContact O-CG1 3.03Å; V2-I6 PolarHBondContact O-N 3.32Å |
| 3 | L | 33.4 | Very low | 41.2 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 69% | 0.691 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -65.6 | -30.4 | 173.2 | -114.4 | 88.4 | 0 | 0 | 0 | 114.1 | M1 I6 L7 | M1-L3 PolarHBondContact O-N 2.82Å; L3-I6 PolarHBondContact O-N 2.8Å; L3-L7 WeakPolarHBondContact O-CB 3.35Å; L3-L7 WeakPolarHBondContact O-CD1 3.29Å; L3-L7 WeakPolarHBondContact O-CG 3.2Å; L3-L7 PolarHBondContact O-N 3.45Å |
| 4 | L | 45.6 | Very low | 41.3 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 68% | 0.681 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -78 | -26.1 | 177.4 | -92.2 | 149.8 | 0 | 0 | 0 | 112.2 | M1 V2 N8 | M1-L4 PolarHBondContact O-N 3.11Å; M1-L4 VanDerWaalsContact O-N 3.13Å; V2-L4 VanDerWaalsContact C-N 3.33Å; V2-L4 PolarHBondContact O-N 2.77Å; L4-N8 PolarHBondContact O-N 3.02Å |
| 5 | I | 50.6 | Low | 41.8 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 56% | 0.564 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -76.3 | -33.8 | 171.5 | -65.8 | 167.5 | 0 | 0 | 0 | 110.6 | M1 V2 | M1-I5 WeakPolarHBondContact O-CG1 3.22Å; M1-I5 PolarHBondContact O-N 2.83Å; M1-I5 VanDerWaalsContact O-N 3.09Å; V2-I5 PolarHBondContact O-N 3.03Å |
| 6 | I | 43.3 | Very low | 42 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 48% | 0.477 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -73.2 | -35.9 | 176.6 | -66.4 | 167.1 | 0 | 0 | 0 | 111.4 | V2 L3 | V2-I6 HydrophobicContact CG1-CD1 3.95Å; V2-I6 VanDerWaalsContact O-CG1 3.29Å; V2-I6 WeakPolarHBondContact O-CG1 3.03Å; V2-I6 PolarHBondContact O-N 3.32Å; L3-I6 PolarHBondContact O-N 2.8Å |
| 7 | L | 40.6 | Very low | 42.3 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 63% | 0.634 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.4 | -23.9 | 179.3 | -75.9 | 162.5 | 0 | 0 | 0 | 114.1 | L3 | L3-L7 WeakPolarHBondContact O-CB 3.35Å; L3-L7 WeakPolarHBondContact O-CD1 3.29Å; L3-L7 WeakPolarHBondContact O-CG 3.2Å; L3-L7 PolarHBondContact O-N 3.45Å |
| 8 | N | 40.3 | Very low | 42.3 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 63% | 0.631 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -88.4 | -11.6 | -179.3 | -148.1 | 8.3 | 0 | 0 | 0 | 114.1 | L4 | L4-N8 PolarHBondContact O-N 3.02Å |
| 9 | Q | 42.5 | Very low | 43 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 65% | 0.654 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -93.3 | -15 | 175.7 | -77.4 | -150.5 | -9.6 | 0 | 0 | 114.8 | ||
| 10 | F | 39.6 | Very low | 43.2 | Very low | 140 Ų | 140 | 128.7 Ų | 128.7 | 61% | 0.614 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -83.2 | -26.3 | -175.7 | -99.5 | -91.6 | 0 | 0 | 0 | 114.4 | ||
| 11 | H | 43.4 | Very low | 43.3 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 65% | 0.653 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -78 | -30.2 | -177 | -103.8 | -79.3 | 0 | 0 | 0 | 114.7 | I15 | H11-I15 WeakPolarHBondContact O-CG1 3.45Å |
| 12 | W | 40.2 | Very low | 43.8 | Very low | 186 Ų | 186 | 123.5 Ų | 123.5 | 71% | 0.705 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -81.5 | -30.4 | -175 | -75.4 | 94 | 0 | 0 | 0 | 114.1 | Y16 | W12-Y16 WeakPolarHBondContact O-CB 3.45Å; W12-Y16 PolarHBondContact O-N 3.21Å; W12-Y16 VanDerWaalsContact O-N 3.12Å |
| 13 | K | 40.6 | Very low | 44.3 | Very low | 162 Ų | 162 | 122.2 Ų | 122.2 | 70% | 0.704 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.9 | -35.2 | 178.9 | -88 | -177.4 | 174.6 | 178 | 0 | 113 | L17 | K13-L17 WeakPolarHBondContact O-CB 3.27Å; K13-L17 PolarHBondContact O-N 2.89Å |
| 14 | H | 43.1 | Very low | 45 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 59% | 0.593 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -74.4 | -34.9 | 178.2 | -81.2 | -77.3 | 0 | 0 | 0 | 113.1 | L17 M18 | H14-L17 PolarHBondContact O-N 2.65Å; H14-M18 WeakPolarHBondContact O-CG 3.19Å; H14-M18 PolarHBondContact O-N 2.96Å |
| 15 | I | 48.7 | Very low | 45 | Very low | 85 Ų | 85 | 119 Ų | 119 | 44% | 0.436 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.5 | -42 | 175.1 | -65.1 | 170.7 | 0 | 0 | 0 | 110.5 | H11 L17 M18 I19 | H11-I15 WeakPolarHBondContact O-CG1 3.45Å; I15-L17 PolarHBondContact O-N 3.01Å; I15-M18 PolarHBondContact O-N 2.83Å; I15-I19 HydrophobicContact CG2-CD1 3.82Å; I15-I19 HydrophobicContact CG2-CG1 4.5Å; I15-I19 WeakPolarHBondContact O-CG1 3.32Å; I15-I19 PolarHBondContact O-N 3.4Å |
| 16 | Y | 45 | Very low | 44.7 | Very low | 185 Ų | 185 | 119.9 Ų | 119.9 | 73% | 0.725 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.1 | -37.9 | 175.7 | -158.8 | -89.3 | 0 | 0 | 0 | 112.3 | W12 S20 | W12-Y16 WeakPolarHBondContact O-CB 3.45Å; W12-Y16 PolarHBondContact O-N 3.21Å; W12-Y16 VanDerWaalsContact O-N 3.12Å; Y16-S20 VanDerWaalsContact O-CB 3.25Å; Y16-S20 WeakPolarHBondContact O-CB 3.28Å; Y16-S20 PolarHBondContact O-N 2.85Å |
| 17 | L | 46.3 | Very low | 44.6 | Very low | 122 Ų | 122 | 118.8 Ų | 118.8 | 64% | 0.639 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.8 | -41.5 | 174.6 | -129.5 | 88.1 | 0 | 0 | 0 | 112 | K13 H14 I15 S20 L21 | K13-L17 WeakPolarHBondContact O-CB 3.27Å; K13-L17 PolarHBondContact O-N 2.89Å; H14-L17 PolarHBondContact O-N 2.65Å; I15-L17 PolarHBondContact O-N 3.01Å; L17-S20 PolarHBondContact O-N 3.32Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 PolarHBondContact O-N 2.97Å |
| 18 | M | 43.1 | Very low | 44.7 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 60% | 0.601 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.2 | -41.4 | 177.6 | -77.4 | -130.6 | 90.8 | 0 | 0 | 112.7 | H14 I15 L21 L22 | H14-M18 WeakPolarHBondContact O-CG 3.19Å; H14-M18 PolarHBondContact O-N 2.96Å; I15-M18 PolarHBondContact O-N 2.83Å; M18-L21 PolarHBondContact O-N 3.22Å; M18-L22 WeakPolarHBondContact O-CG 3.37Å; M18-L22 PolarHBondContact O-N 3.31Å |
| 19 | I | 55.2 | Low | 44.8 | Very low | 99 Ų | 99 | 116.6 Ų | 116.6 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.2 | -41.9 | 175.8 | -65.2 | 169.3 | 0 | 0 | 0 | 110.3 | I15 L21 L22 V23 | I15-I19 HydrophobicContact CG2-CD1 3.82Å; I15-I19 HydrophobicContact CG2-CG1 4.5Å; I15-I19 WeakPolarHBondContact O-CG1 3.32Å; I15-I19 PolarHBondContact O-N 3.4Å; I19-L21 VanDerWaalsContact C-N 3.32Å; I19-L21 PolarHBondContact O-N 2.62Å; I19-L22 PolarHBondContact O-N 3.42Å; I19-V23 WeakPolarHBondContact O-CG2 3.27Å; I19-V23 PolarHBondContact O-N 3.05Å |
| 20 | S | 46.9 | Very low | 44.6 | Very low | 61 Ų | 61 | 115.4 Ų | 115.4 | 43% | 0.427 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.3 | -35.3 | 175.5 | -170.4 | 0 | 0 | 0 | 0 | 112.6 | Y16 L17 H24 | Y16-S20 VanDerWaalsContact O-CB 3.25Å; Y16-S20 WeakPolarHBondContact O-CB 3.28Å; Y16-S20 PolarHBondContact O-N 2.85Å; L17-S20 PolarHBondContact O-N 3.32Å; S20-H24 WeakPolarHBondContact O-CB 2.92Å; S20-H24 PolarHBondContact O-N 3.11Å |
| 21 | L | 45.2 | Very low | 44.5 | Very low | 103 Ų | 103 | 116.4 Ų | 116.4 | 54% | 0.539 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.2 | -41.3 | 176.5 | -156.4 | 83.2 | 0 | 0 | 0 | 111.3 | L17 M18 I19 H24 I25 | L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 PolarHBondContact O-N 2.97Å; M18-L21 PolarHBondContact O-N 3.22Å; I19-L21 VanDerWaalsContact C-N 3.32Å; I19-L21 PolarHBondContact O-N 2.62Å; L21-H24 PolarHBondContact O-N 2.88Å; L21-I25 HydrophobicContact CD2-CD1 4.42Å; L21-I25 HydrophobicContact CG-CD1 4.28Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.42Å; L21-I25 PolarHBondContact O-N 2.78Å |
| 22 | L | 47.4 | Very low | 44.3 | Very low | 108 Ų | 108 | 113.5 Ų | 113.5 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.6 | -40.8 | 175.8 | -81 | 161.4 | 0 | 0 | 0 | 112.4 | M18 I19 I25 M26 | M18-L22 WeakPolarHBondContact O-CG 3.37Å; M18-L22 PolarHBondContact O-N 3.31Å; I19-L22 PolarHBondContact O-N 3.42Å; L22-I25 PolarHBondContact O-N 2.85Å; L22-M26 PolarHBondContact O-N 3.05Å |
| 23 | V | 50.4 | Low | 44.3 | Very low | 80 Ų | 80 | 110 Ų | 110 | 49% | 0.485 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 173.7 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | I19 M26 L27 | I19-V23 WeakPolarHBondContact O-CG2 3.27Å; I19-V23 PolarHBondContact O-N 3.05Å; V23-M26 PolarHBondContact O-N 3.16Å; V23-L27 HydrophobicContact CG1-CD1 3.89Å; V23-L27 HydrophobicContact CG1-CG 4.48Å; V23-L27 WeakPolarHBondContact O-CB 3.5Å; V23-L27 WeakPolarHBondContact O-CD1 3.4Å; V23-L27 VanDerWaalsContact O-CG 3.26Å; V23-L27 WeakPolarHBondContact O-CG 3.43Å; V23-L27 PolarHBondContact O-N 2.89Å |
| 24 | H | 47.7 | Very low | 44.3 | Very low | 114 Ų | 114 | 103.5 Ų | 103.5 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 173.4 | -103.7 | 32.1 | 0 | 0 | 0 | 112.9 | S20 L21 L27 I28 | S20-H24 WeakPolarHBondContact O-CB 2.92Å; S20-H24 PolarHBondContact O-N 3.11Å; L21-H24 PolarHBondContact O-N 2.88Å; H24-L27 PolarHBondContact O-N 3.04Å; H24-I28 WeakPolarHBondContact O-CB 3.3Å; H24-I28 WeakPolarHBondContact O-CD1 3.34Å; H24-I28 WeakPolarHBondContact O-CG1 3.3Å; H24-I28 PolarHBondContact O-N 3.21Å |
| 25 | I | 45.9 | Very low | 44.3 | Very low | 82 Ų | 82 | 103.1 Ų | 103.1 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 176.8 | -68.5 | 163.7 | 0 | 0 | 0 | 110.7 | L21 L22 I28 I29 | L21-I25 HydrophobicContact CD2-CD1 4.42Å; L21-I25 HydrophobicContact CG-CD1 4.28Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.42Å; L21-I25 PolarHBondContact O-N 2.78Å; L22-I25 PolarHBondContact O-N 2.85Å; I25-I28 PolarHBondContact O-N 2.86Å; I25-I29 HydrophobicContact CG2-CD1 4.01Å; I25-I29 VanDerWaalsContact O-CG1 3.31Å; I25-I29 WeakPolarHBondContact O-CG1 3.33Å; I25-I29 PolarHBondContact O-N 3.33Å |
| 26 | M | 43.6 | Very low | 44 | Very low | 127 Ų | 127 | 104.8 Ų | 104.8 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.7 | -43.1 | 173 | -81 | -84.2 | 136.1 | 0 | 0 | 112.3 | L22 V23 I28 I29 Q30 | L22-M26 PolarHBondContact O-N 3.05Å; V23-M26 PolarHBondContact O-N 3.16Å; M26-I28 VanDerWaalsContact C-N 3.34Å; M26-I28 PolarHBondContact O-N 3.49Å; M26-I29 PolarHBondContact O-N 2.95Å; M26-Q30 WeakPolarHBondContact O-CB 3.45Å; M26-Q30 PolarHBondContact O-N 2.85Å |
| 27 | L | 41.5 | Very low | 43.9 | Very low | 71 Ų | 71 | 96.7 Ų | 96.7 | 37% | 0.372 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.3 | -32.8 | 175.1 | -74.3 | 166.2 | 0 | 0 | 0 | 112.8 | V23 H24 R31 | V23-L27 HydrophobicContact CG1-CD1 3.89Å; V23-L27 HydrophobicContact CG1-CG 4.48Å; V23-L27 WeakPolarHBondContact O-CB 3.5Å; V23-L27 WeakPolarHBondContact O-CD1 3.4Å; V23-L27 VanDerWaalsContact O-CG 3.26Å; V23-L27 WeakPolarHBondContact O-CG 3.43Å; V23-L27 PolarHBondContact O-N 2.89Å; H24-L27 PolarHBondContact O-N 3.04Å; L27-R31 VanDerWaalsContact O-CB 3.27Å; L27-R31 WeakPolarHBondContact O-CB 3.43Å; L27-R31 WeakPolarHBondContact O-CD 3.11Å; L27-R31 WeakPolarHBondContact O-CG 3.42Å; L27-R31 PolarHBondContact O-N 2.85Å |
| 28 | I | 43.3 | Very low | 44.1 | Very low | 99 Ų | 99 | 92.1 Ų | 92.1 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -70.2 | -40 | 175.4 | -70.9 | 162.2 | 0 | 0 | 0 | 110.8 | H24 I25 M26 R31 S32 | H24-I28 WeakPolarHBondContact O-CB 3.3Å; H24-I28 WeakPolarHBondContact O-CD1 3.34Å; H24-I28 WeakPolarHBondContact O-CG1 3.3Å; H24-I28 PolarHBondContact O-N 3.21Å; I25-I28 PolarHBondContact O-N 2.86Å; M26-I28 VanDerWaalsContact C-N 3.34Å; M26-I28 PolarHBondContact O-N 3.49Å; I28-R31 PolarHBondContact O-N 2.79Å; I28-S32 PolarHBondContact O-N 2.81Å; I28-S32 VanDerWaalsContact O-N 3.15Å |
| 29 | I | 41.3 | Very low | 44.3 | Very low | 93 Ų | 93 | 91.5 Ų | 91.5 | 48% | 0.477 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 175.6 | -66.1 | 166.6 | 0 | 0 | 0 | 110.5 | I25 M26 S32 | I25-I29 HydrophobicContact CG2-CD1 4.01Å; I25-I29 VanDerWaalsContact O-CG1 3.31Å; I25-I29 WeakPolarHBondContact O-CG1 3.33Å; I25-I29 PolarHBondContact O-N 3.33Å; M26-I29 PolarHBondContact O-N 2.95Å; I29-S32 PolarHBondContact O-N 3.22Å |
| 30 | Q | 37.4 | Very low | 44.1 | Very low | 115 Ų | 115 | 89.9 Ų | 89.9 | 54% | 0.537 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.2 | -35.9 | 175.3 | -160.3 | 170.4 | -9.6 | 0 | 0 | 112.3 | M26 S32 I33 | M26-Q30 WeakPolarHBondContact O-CB 3.45Å; M26-Q30 PolarHBondContact O-N 2.85Å; Q30-S32 PolarHBondContact O-N 2.85Å; Q30-I33 PolarHBondContact O-N 2.96Å |
| 31 | R | 38.6 | Very low | 44.3 | Very low | 161 Ų | 161 | 87.5 Ų | 87.5 | 61% | 0.608 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.5 | -29.5 | 175.2 | -83.3 | 171.3 | 174.4 | -176.8 | -1.4 | 114.2 | L27 I28 I33 | L27-R31 VanDerWaalsContact O-CB 3.27Å; L27-R31 WeakPolarHBondContact O-CB 3.43Å; L27-R31 WeakPolarHBondContact O-CD 3.11Å; L27-R31 WeakPolarHBondContact O-CG 3.42Å; L27-R31 PolarHBondContact O-N 2.85Å; I28-R31 PolarHBondContact O-N 2.79Å; R31-I33 PolarHBondContact O-N 3.23Å |
| 32 | S | 39.8 | Very low | 44.6 | Very low | 81 Ų | 81 | 89.6 Ų | 89.6 | 57% | 0.566 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -69.9 | -20.5 | 178.6 | -175.3 | 0 | 0 | 0 | 0 | 113.3 | I28 I29 Q30 | I28-S32 PolarHBondContact O-N 2.81Å; I28-S32 VanDerWaalsContact O-N 3.15Å; I29-S32 PolarHBondContact O-N 3.22Å; Q30-S32 PolarHBondContact O-N 2.85Å |
| 33 | I | 39.7 | Very low | 44.8 | Very low | 113 Ų | 113 | 88 Ų | 88 | 58% | 0.579 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -95.7 | -27.2 | -174.9 | -57.9 | 171.8 | 0 | 0 | 0 | 111.2 | Q30 R31 Q35 | Q30-I33 PolarHBondContact O-N 2.96Å; R31-I33 PolarHBondContact O-N 3.23Å; I33-Q35 PolarHBondContact O-N 3.41Å |
| 34 | S | 41.2 | Very low | 44.8 | Very low | 24 Ų | 24 | 87.4 Ų | 87.4 | 17% | 0.168 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -70.2 | -23.3 | 175.1 | 174.4 | 0 | 0 | 0 | 0 | 114.2 | N36 C37 S38 D177 | S34-N36 VanDerWaalsContact C-N 3.34Å; S34-N36 PolarHBondContact O-N 3.4Å; S34-C37 PolarHBondContact O-N 3.43Å; S34-S38 PolarHBondContact O-N 2.81Å; S34-D177 PolarHBondContact OG-OD1 3.32Å |
| 35 | Q | 42.2 | Very low | 45 | Very low | 120 Ų | 120 | 84.5 Ų | 84.5 | 56% | 0.561 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.8 | -30 | -170.2 | -83.5 | -178.8 | -20.8 | 0 | 0 | 115.4 | I33 C37 S38 Q39 | I33-Q35 PolarHBondContact O-N 3.41Å; Q35-C37 PolarHBondContact O-N 3.28Å; Q35-S38 PolarHBondContact O-OG 2.98Å; Q35-S38 VanDerWaalsContact O-OG 3.12Å; Q35-Q39 WeakPolarHBondContact O-CB 3.11Å; Q35-Q39 PolarHBondContact O-N 3.27Å; Q35-Q39 VanDerWaalsContact O-N 3.14Å |
| 36 | N | 41.8 | Very low | 44.9 | Very low | 120 Ų | 120 | 83.4 Ų | 83.4 | 64% | 0.642 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -70.5 | -33.3 | -178.7 | -85.9 | -16.4 | 0 | 0 | 0 | 113.6 | S34 T40 | S34-N36 VanDerWaalsContact C-N 3.34Å; S34-N36 PolarHBondContact O-N 3.4Å; N36-T40 PolarHBondContact O-N 3.28Å; N36-T40 PolarHBondContact O-OG1 3.17Å |
| 37 | C | 44.1 | Very low | 44.8 | Very low | 15 Ų | 15 | 81 Ų | 81 | 10% | 0.101 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -79.2 | -40.5 | -176.9 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | S34 Q35 I41 Y75 C179 | S34-C37 PolarHBondContact O-N 3.43Å; Q35-C37 PolarHBondContact O-N 3.28Å; C37-I41 WeakPolarHBondContact O-CG1 3.49Å; C37-I41 PolarHBondContact O-N 2.82Å; C37-Y75 HydrophobicContact CB-CE2 4.24Å; C37-C179 HydrophobicContact CB-CB 3.84Å; C37-C179 WeakPolarHBondContact CB-SG 3.48Å; C37-C179 WeakPolarHBondContact SG-CB 3.23Å; C37-C179 CovalentContact SG-SG 2.03Å; C37-C179 PolarHBondContact SG-SG 3.25Å |
| 38 | S | 49.4 | Very low | 44.4 | Very low | 27 Ų | 27 | 80.7 Ų | 80.7 | 19% | 0.189 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67 | -36.8 | 174.3 | 58.4 | 0 | 0 | 0 | 0 | 112.9 | S34 Q35 Y42 L176 | S34-S38 PolarHBondContact O-N 2.81Å; Q35-S38 PolarHBondContact O-OG 2.98Å; Q35-S38 VanDerWaalsContact O-OG 3.12Å; S38-Y42 WeakPolarHBondContact O-CB 3.14Å; S38-Y42 PolarHBondContact O-N 3.33Å; S38-L176 VanDerWaalsContact CB-O 3.24Å; S38-L176 WeakPolarHBondContact CB-O 3.42Å |
| 39 | Q | 48.8 | Very low | 43.8 | Very low | 108 Ų | 108 | 82.7 Ų | 82.7 | 51% | 0.505 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 177.5 | -119.3 | 174.5 | -15.2 | 0 | 0 | 112.9 | Q35 I41 Y42 Q43 | Q35-Q39 WeakPolarHBondContact O-CB 3.11Å; Q35-Q39 PolarHBondContact O-N 3.27Å; Q35-Q39 VanDerWaalsContact O-N 3.14Å; Q39-I41 PolarHBondContact O-N 3.21Å; Q39-Y42 PolarHBondContact O-N 3.46Å; Q39-Q43 VanDerWaalsContact O-CB 3.26Å; Q39-Q43 WeakPolarHBondContact O-CB 3.17Å; Q39-Q43 WeakPolarHBondContact O-CG 3.47Å; Q39-Q43 PolarHBondContact O-N 3.47Å |
| 40 | T | 50.4 | Low | 43.5 | Very low | 65 Ų | 65 | 82.7 Ų | 82.7 | 40% | 0.399 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | -178.2 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | N36 Q43 M44 | N36-T40 PolarHBondContact O-N 3.28Å; N36-T40 PolarHBondContact O-OG1 3.17Å; T40-Q43 PolarHBondContact O-N 2.94Å; T40-M44 HydrophobicContact CG2-CE 3.76Å; T40-M44 HydrophobicContact CG2-SD 4.32Å; T40-M44 WeakPolarHBondContact O-CB 3.29Å; T40-M44 VanDerWaalsContact O-CG 3.23Å; T40-M44 WeakPolarHBondContact O-CG 3.02Å; T40-M44 PolarHBondContact O-N 2.93Å |
| 41 | I | 51.6 | Low | 43 | Very low | 12 Ų | 12 | 82.8 Ų | 82.8 | 6% | 0.062 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -68.3 | -44.3 | 178.6 | -64.1 | 176.8 | 0 | 0 | 0 | 110.2 | C37 Q39 Q43 M44 F45 L65 V178 | C37-I41 WeakPolarHBondContact O-CG1 3.49Å; C37-I41 PolarHBondContact O-N 2.82Å; Q39-I41 PolarHBondContact O-N 3.21Å; I41-Q43 VanDerWaalsContact C-N 3.34Å; I41-Q43 PolarHBondContact O-N 3.28Å; I41-M44 PolarHBondContact O-N 3.36Å; I41-F45 HydrophobicContact CG2-CD2 3.94Å; I41-F45 HydrophobicContact CG2-CE2 4.03Å; I41-F45 WeakPolarHBondContact O-CD2 3.23Å; I41-F45 PolarHBondContact O-N 3.22Å; I41-L65 HydrophobicContact CD1-CD1 3.71Å; I41-L65 HydrophobicContact CG1-CD1 3.62Å; I41-V178 HydrophobicContact CB-CG2 4.49Å; I41-V178 HydrophobicContact CD1-CB 3.8Å; I41-V178 HydrophobicContact CD1-CG1 3.26Å; I41-V178 HydrophobicContact CD1-CG2 4.4Å; I41-V178 HydrophobicContact CG1-CG1 4.49Å; I41-V178 HydrophobicContact CG2-CG1 4.22Å; I41-V178 HydrophobicContact CG2-CG2 4Å |
| 42 | Y | 50.7 | Low | 42.7 | Very low | 147 Ų | 147 | 81.7 Ų | 81.7 | 58% | 0.576 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63 | -39.2 | 177.1 | -164.1 | -89.1 | 0 | 0 | 0 | 112.4 | S38 Q39 F45 S46 L176 | S38-Y42 WeakPolarHBondContact O-CB 3.14Å; S38-Y42 PolarHBondContact O-N 3.33Å; Q39-Y42 PolarHBondContact O-N 3.46Å; Y42-F45 PolarHBondContact O-N 3.32Å; Y42-S46 WeakPolarHBondContact O-CB 3.32Å; Y42-S46 PolarHBondContact O-N 2.79Å; Y42-S46 PolarHBondContact O-OG 3.13Å; Y42-L176 HydrophobicContact CD2-CD1 4.42Å |
| 43 | Q | 50.9 | Low | 42.1 | Very low | 75 Ų | 75 | 85.2 Ų | 85.2 | 35% | 0.35 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 176 | -75.7 | 173.9 | -12.2 | 0 | 0 | 112.2 | Q39 T40 I41 F45 S46 V50 | Q39-Q43 VanDerWaalsContact O-CB 3.26Å; Q39-Q43 WeakPolarHBondContact O-CB 3.17Å; Q39-Q43 WeakPolarHBondContact O-CG 3.47Å; Q39-Q43 PolarHBondContact O-N 3.47Å; T40-Q43 PolarHBondContact O-N 2.94Å; I41-Q43 VanDerWaalsContact C-N 3.34Å; I41-Q43 PolarHBondContact O-N 3.28Å; Q43-F45 VanDerWaalsContact C-N 3.25Å; Q43-F45 PolarHBondContact O-N 3.04Å; Q43-S46 WeakPolarHBondContact CA-OG 3.16Å; Q43-S46 PolarHBondContact O-OG 3.4Å; Q43-V50 HydrophobicContact CB-CG2 4.13Å |
| 44 | M | 50.5 | Low | 41.6 | Very low | 67 Ų | 67 | 86.9 Ų | 86.9 | 33% | 0.33 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -31.9 | 175.2 | -77.3 | 175.6 | 177.2 | 0 | 0 | 113.4 | T40 I41 T63 L65 | T40-M44 HydrophobicContact CG2-CE 3.76Å; T40-M44 HydrophobicContact CG2-SD 4.32Å; T40-M44 WeakPolarHBondContact O-CB 3.29Å; T40-M44 VanDerWaalsContact O-CG 3.23Å; T40-M44 WeakPolarHBondContact O-CG 3.02Å; T40-M44 PolarHBondContact O-N 2.93Å; I41-M44 PolarHBondContact O-N 3.36Å; M44-T63 HydrophobicContact CE-CG2 4.48Å; M44-T63 HydrophobicContact SD-CG2 4.07Å; M44-L65 HydrophobicContact CE-CD2 4.2Å; M44-L65 HydrophobicContact SD-CD2 4.31Å |
| 45 | F | 52.8 | Low | 41.1 | Very low | 52 Ų | 52 | 92.5 Ų | 92.5 | 23% | 0.228 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -105.7 | -10.1 | -175.4 | -67.8 | -69.5 | 0 | 0 | 0 | 115 | I41 Y42 Q43 G47 L216 V231 | I41-F45 HydrophobicContact CG2-CD2 3.94Å; I41-F45 HydrophobicContact CG2-CE2 4.03Å; I41-F45 WeakPolarHBondContact O-CD2 3.23Å; I41-F45 PolarHBondContact O-N 3.22Å; Y42-F45 PolarHBondContact O-N 3.32Å; Q43-F45 VanDerWaalsContact C-N 3.25Å; Q43-F45 PolarHBondContact O-N 3.04Å; F45-G47 VanDerWaalsContact C-N 3.33Å; F45-L216 HydrophobicContact CD1-CD2 4.01Å; F45-L216 HydrophobicContact CD2-CD1 4.48Å; F45-L216 HydrophobicContact CD2-CD2 4.32Å; F45-L216 HydrophobicContact CE1-CD2 4.12Å; F45-L216 HydrophobicContact CE2-CD2 4.46Å; F45-L216 HydrophobicContact CG-CD2 4.14Å; F45-L216 HydrophobicContact CZ-CD2 4.37Å; F45-V231 HydrophobicContact CE1-CG1 4.35Å; F45-V231 HydrophobicContact CE2-CB 4.41Å; F45-V231 HydrophobicContact CE2-CG1 3.88Å; F45-V231 HydrophobicContact CZ-CB 3.92Å; F45-V231 HydrophobicContact CZ-CG1 3.5Å |
| 46 | S | 43.7 | Very low | 40.3 | Very low | 59 Ų | 59 | 94.7 Ų | 94.7 | 41% | 0.413 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 9.3 | 176.1 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | Y42 Q43 S48 | Y42-S46 WeakPolarHBondContact O-CB 3.32Å; Y42-S46 PolarHBondContact O-N 2.79Å; Y42-S46 PolarHBondContact O-OG 3.13Å; Q43-S46 WeakPolarHBondContact CA-OG 3.16Å; Q43-S46 PolarHBondContact O-OG 3.4Å; S46-S48 PolarHBondContact O-N 3.14Å; S46-S48 PolarHBondContact OG-OG 2.87Å |
| 47 | G | 41.1 | Very low | 39.6 | Very low | 77 Ų | 77 | 96.1 Ų | 96.1 | 79% | 0.794 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 18 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F45 | F45-G47 VanDerWaalsContact C-N 3.33Š|
| 48 | S | 34 | Very low | 38.8 | Very low | 64 Ų | 64 | 101.8 Ų | 101.8 | 45% | 0.448 | 58% | 0.578 | S | S | . | * | trans | -98.2 | 122.8 | 177.6 | 42.3 | 0 | 0 | 0 | 0 | 110.5 | S46 V50 | S46-S48 PolarHBondContact O-N 3.14Å; S46-S48 PolarHBondContact OG-OG 2.87Å; S48-V50 PolarHBondContact O-N 3.47Å | ||
| 49 | T | 30.9 | Very low | 37.9 | Very low | 142 Ų | 142 | 104.6 Ų | 104.6 | 87% | 0.871 | 60% | 0.598 | S | S | * | * | trans | -61.2 | 113.2 | 179.7 | 44.3 | 0 | 0 | 0 | 0 | 111.2 | S51 | T49-S51 PolarHBondContact O-N 2.79Š| ||
| 50 | V | 33.2 | Very low | 37.2 | Very low | 93 Ų | 93 | 106 Ų | 106 | 56% | 0.564 | 61% | 0.614 | S | S | * | * | trans | -83.5 | 100.9 | 168.5 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | Q43 S48 N52 | Q43-V50 HydrophobicContact CB-CG2 4.13Å; S48-V50 PolarHBondContact O-N 3.47Å; V50-N52 PolarHBondContact O-N 3.39Å | ||
| 51 | S | 27.8 | Very low | 36.9 | Very low | 116 Ų | 116 | 108.2 Ų | 108.2 | 81% | 0.811 | 62% | 0.623 | S | S | * | * | trans | -75 | 106.1 | 165.4 | 58.3 | 0 | 0 | 0 | 0 | 108.7 | T49 | T49-S51 PolarHBondContact O-N 2.79Š| ||
| 52 | N | 31.7 | Very low | 37 | Very low | 139 Ų | 139 | 111 Ų | 111 | 74% | 0.743 | 64% | 0.641 | S | S | * | * | trans | -122.6 | 128.4 | 164 | -134.9 | -3.3 | 0 | 0 | 0 | 108.9 | V50 N54 | V50-N52 PolarHBondContact O-N 3.39Å; N52-N54 PolarHBondContact O-N 3.43Å | ||
| 53 | N | 28.9 | Very low | 37.6 | Very low | 154 Ų | 154 | 105.6 Ų | 105.6 | 82% | 0.824 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -52.8 | 132.6 | -174.4 | -75.7 | -32.7 | 0 | 0 | 0 | 110.8 | ||
| 54 | N | 28.5 | Very low | 39 | Very low | 148 Ų | 148 | 104.1 Ų | 104.1 | 79% | 0.791 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 76.5 | 70 | 172.7 | -52.7 | -21.6 | 0 | 0 | 0 | 116.2 | N52 | N52-N54 PolarHBondContact O-N 3.43Š|
| 55 | N | 30.2 | Very low | 40.4 | Very low | 143 Ų | 143 | 102.4 Ų | 102.4 | 77% | 0.765 | 61% | 0.608 | S | S | * | * | 157 | 113.4 | 127.1 | -78.7 | -22.4 | 0 | 0 | 0 | 109.6 | I57 | N55-I57 PolarHBondContact O-N 2.9Š| |||
| 56 | N | 25.5 | Very low | 41.7 | Very low | 166 Ų | 166 | 100.1 Ų | 100.1 | 89% | 0.888 | 60% | 0.598 | S | S | * | * | trans | -67.6 | 97.9 | 175.6 | -77.3 | -22 | 0 | 0 | 0 | 110.2 | ||||
| 57 | I | 28 | Very low | 43.5 | Very low | 150 Ų | 150 | 98.1 Ų | 98.1 | 77% | 0.769 | 58% | 0.582 | S | S | * | * | trans | -99.4 | 103 | 168 | -59.4 | 177.4 | 0 | 0 | 0 | 107.8 | N55 | N55-I57 PolarHBondContact O-N 2.9Š| ||
| 58 | T | 25.3 | Very low | 45.3 | Very low | 134 Ų | 134 | 95.2 Ų | 95.2 | 82% | 0.822 | 55% | 0.548 | S | S | * | . | trans | -105.5 | 93.1 | 173.4 | 40.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 59 | S | 30.8 | Very low | 47.2 | Very low | 86 Ų | 86 | 92.1 Ų | 92.1 | 60% | 0.601 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -169.8 | 110.3 | 158.5 | 58.6 | 0 | 0 | 0 | 0 | 109.8 | N61 | S59-N61 VanDerWaalsContact C-N 3.32Å; S59-N61 PolarHBondContact O-N 3.08Å |
| 60 | T | 34.8 | Very low | 49 | Very low | 137 Ų | 137 | 87.1 Ų | 87.1 | 84% | 0.84 | 49% | 0.494 | S | S | * | . | trans | 19.9 | 66.4 | 147.6 | 49.9 | 0 | 0 | 0 | 0 | 116.6 | V62 | T60-V62 PolarHBondContact O-N 3.46Š| ||
| 61 | N | 44.7 | Very low | 50.5 | Low | 111 Ų | 111 | 88.4 Ų | 88.4 | 59% | 0.594 | 49% | 0.494 | S | S | * | . | trans | 24.7 | 78.5 | 148.8 | -60.3 | -4.8 | 0 | 0 | 0 | 118.9 | S59 | S59-N61 VanDerWaalsContact C-N 3.32Å; S59-N61 PolarHBondContact O-N 3.08Å | ||
| 62 | V | 52.3 | Low | 52 | Low | 71 Ų | 71 | 88.6 Ų | 88.6 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | trans | -112.6 | 100.4 | 147.8 | -179.3 | 0 | 0 | 0 | 0 | 106.8 | T60 L230 | T60-V62 PolarHBondContact O-N 3.46Å; V62-L230 HydrophobicContact CG1-CD1 3.37Å; V62-L230 HydrophobicContact CG1-CG 4.41Å | ||
| 63 | T | 64.6 | Low | 53.3 | Low | 34 Ų | 34 | 83 Ų | 83 | 21% | 0.209 | 46% | 0.455 | C | S | . | . | trans | -101.3 | 105.2 | -178.6 | 51.5 | 0 | 0 | 0 | 0 | 109.3 | M44 | M44-T63 HydrophobicContact CE-CG2 4.48Å; M44-T63 HydrophobicContact SD-CG2 4.07Å | ||
| 64 | Q | 79 | Confident | 54.7 | Low | 44 Ų | 44 | 78.4 Ų | 78.4 | 21% | 0.206 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 132.5 | 163.6 | -173.6 | -177.4 | -15.5 | 0 | 0 | 108.5 | F85 I87 S228 I229 | Q64-F85 PolarHBondContact NE2-O 2.84Å; Q64-I87 VanDerWaalsContact OE1-N 3.14Å; Q64-S228 WeakPolarHBondContact CG-OG 3.2Å; Q64-S228 PolarHBondContact NE2-OG 2.86Å; Q64-I229 CarbonylContact C-O 3.58Å; Q64-I229 VanDerWaalsContact CA-O 3.29Å; Q64-I229 WeakPolarHBondContact CA-O 3.03Å |
| 65 | L | 79.9 | Confident | 56.3 | Low | 31 Ų | 31 | 74.3 Ų | 74.3 | 16% | 0.162 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 137.8 | 176.8 | -66.4 | 166.7 | 0 | 0 | 0 | 108.9 | I41 M44 S228 I229 | I41-L65 HydrophobicContact CD1-CD1 3.71Å; I41-L65 HydrophobicContact CG1-CD1 3.62Å; M44-L65 HydrophobicContact CE-CD2 4.2Å; M44-L65 HydrophobicContact SD-CD2 4.31Å; L65-S228 CarbonylContact O-C 3.42Å; L65-S228 WeakPolarHBondContact O-CA 3.27Å; L65-I229 PolarHBondContact N-O 2.76Å; L65-I229 PolarHBondContact O-N 2.95Å |
| 66 | C | 81.7 | Confident | 57.6 | Low | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.02 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 143.2 | -176.4 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | L79 C82 F226 Q227 S228 | C66-L79 HydrophobicContact CB-CB 4.17Å; C66-L79 PolarHBondContact O-N 2.88Å; C66-C82 HydrophobicContact CB-CB 3.8Å; C66-C82 WeakPolarHBondContact CB-SG 3.12Å; C66-C82 WeakPolarHBondContact SG-CB 3.41Å; C66-C82 CovalentContact SG-SG 2.02Å; C66-C82 PolarHBondContact SG-SG 3.5Å; C66-F226 HydrophobicContact CB-CE2 4Å; C66-F226 HydrophobicContact CB-CZ 4.19Å; C66-Q227 VanDerWaalsContact CA-O 3.25Å; C66-Q227 WeakPolarHBondContact CA-O 3.29Å; C66-S228 PolarHBondContact SG-OG 2.94Å |
| 67 | W | 80.5 | Confident | 59.6 | Low | 18 Ų | 18 | 70 Ų | 70 | 7% | 0.068 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 165.9 | 177.4 | 66.5 | 95.3 | 0 | 0 | 0 | 112.4 | Y75 Q77 F181 Q227 I229 | W67-Y75 HydrophobicContact CB-CD2 4.18Å; W67-Y75 HydrophobicContact CB-CE2 3.8Å; W67-Y75 AromaticContact CD1-CD2 3.71Å; W67-Y75 AromaticContact CG-CD2 3.9Å; W67-Y75 HydrophobicContact CG-CD2 3.9Å; W67-Y75 AromaticContact CG-CE2 3.95Å; W67-Y75 HydrophobicContact CG-CE2 3.95Å; W67-Q77 CarbonylContact C-O 3.58Å; W67-Q77 WeakPolarHBondContact CA-O 3.45Å; W67-Q77 WeakPolarHBondContact CB-O 3.35Å; W67-F181 AromaticContact CH2-CE2 3.76Å; W67-F181 HydrophobicContact CH2-CE2 3.76Å; W67-F181 HydrophobicContact CH2-CZ 4.3Å; W67-F181 HydrophobicContact CZ2-CD2 4.1Å; W67-F181 AromaticContact CZ2-CE2 3.59Å; W67-F181 HydrophobicContact CZ2-CE2 3.59Å; W67-Q227 HydrophobicContact CD2-CB 3.86Å; W67-Q227 VanDerWaalsContact CE2-CB 3.44Å; W67-Q227 HydrophobicContact CE3-CB 4.35Å; W67-Q227 HydrophobicContact CG-CB 4.37Å; W67-Q227 HydrophobicContact CH2-CB 4.14Å; W67-Q227 HydrophobicContact CZ2-CB 3.63Å; W67-Q227 HydrophobicContact CZ2-CG 4.23Å; W67-Q227 HydrophobicContact CZ3-CB 4.47Å; W67-Q227 PolarHBondContact N-O 3.16Å; W67-Q227 PolarHBondContact O-N 2.95Å; W67-I229 HydrophobicContact CH2-CD1 3.41Å; W67-I229 VanDerWaalsContact CH2-CD1 3.41Å; W67-I229 HydrophobicContact CH2-CG1 3.65Å; W67-I229 HydrophobicContact CZ3-CB 4.3Å; W67-I229 HydrophobicContact CZ3-CD1 3.99Å; W67-I229 HydrophobicContact CZ3-CG1 3.9Å |
| 68 | L | 79.6 | Confident | 61.6 | Low | 15 Ų | 15 | 65.7 Ų | 65.7 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 145.9 | 171.2 | -146.7 | 92.4 | 0 | 0 | 0 | 110.7 | L76 Q77 L122 I124 | L68-L76 HydrophobicContact CD2-CD1 4.48Å; L68-L76 WeakPolarHBondContact O-CB 3.2Å; L68-L76 PolarHBondContact O-N 2.85Å; L68-Q77 PolarHBondContact N-O 3.24Å; L68-Q77 PolarHBondContact O-N 3.13Å; L68-L122 HydrophobicContact CD1-CB 4.42Å; L68-L122 HydrophobicContact CD1-CD1 4.44Å; L68-I124 HydrophobicContact CD1-CD1 4.34Å; L68-I124 HydrophobicContact CD1-CG1 4.05Å |
| 69 | S | 72.9 | Confident | 63.9 | Low | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 152.3 | 178.5 | -23.1 | 0 | 0 | 0 | 0 | 110.8 | T74 L76 R225 Q227 | S69-T74 CarbonylContact C-O 3.56Å; S69-T74 VanDerWaalsContact CA-O 3.31Å; S69-T74 WeakPolarHBondContact CA-O 2.97Å; S69-L76 VanDerWaalsContact C-CD1 3.48Å; S69-L76 WeakPolarHBondContact O-CD1 3.34Å; S69-R225 WeakPolarHBondContact CB-O 3.3Å; S69-R225 PolarHBondContact N-O 2.59Å; S69-R225 PolarHBondContact O-NE 3.11Å; S69-R225 PolarHBondContact O-NH2 3.3Å; S69-R225 VanDerWaalsContact O-NH2 3.11Å; S69-R225 PolarHBondContact OG-O 3.45Å; S69-Q227 PolarHBondContact OG-NE2 3.13Å |
| 70 | D | 69.4 | Low | 65.7 | Low | 37 Ų | 37 | 64 Ų | 64 | 20% | 0.198 | 34% | 0.341 | C | S | . | . | trans | -74.3 | -177.9 | 168.4 | 78 | -6.2 | 0 | 0 | 0 | 111.5 | N72 F73 T74 L76 | D70-N72 PolarHBondContact O-N 3.41Å; D70-N72 VanDerWaalsContact OD1-CA 3.26Å; D70-N72 WeakPolarHBondContact OD1-CA 3.14Å; D70-N72 WeakPolarHBondContact OD1-CB 3.32Å; D70-N72 PolarHBondContact OD1-N 2.94Å; D70-F73 PolarHBondContact O-N 2.93Å; D70-F73 PolarHBondContact OD1-N 2.79Å; D70-T74 PolarHBondContact N-O 3.45Å; D70-T74 PolarHBondContact OD1-N 2.95Å; D70-T74 PolarHBondContact OD1-OG1 3.34Å; D70-T74 VanDerWaalsContact OD1-OG1 3.1Å; D70-T74 PolarHBondContact OD2-OG1 2.99Å; D70-L76 HydrophobicContact CB-CD1 3.75Å; D70-L76 HydrophobicContact CB-CD2 4.47Å; D70-L76 HydrophobicContact CB-CG 3.97Å | ||
| 71 | E | 64.4 | Low | 67.6 | Low | 120 Ų | 120 | 63.8 Ų | 63.8 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -18 | 178.9 | -60.1 | -161.1 | 148.6 | 0 | 0 | 113.8 | ||
| 72 | N | 59.2 | Low | 69.3 | Low | 119 Ų | 119 | 59 Ų | 59 | 64% | 0.636 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 9.7 | 173.8 | -62.4 | -42.2 | 0 | 0 | 0 | 112.3 | D70 T74 | D70-N72 PolarHBondContact O-N 3.41Å; D70-N72 VanDerWaalsContact OD1-CA 3.26Å; D70-N72 WeakPolarHBondContact OD1-CA 3.14Å; D70-N72 WeakPolarHBondContact OD1-CB 3.32Å; D70-N72 PolarHBondContact OD1-N 2.94Å; N72-T74 HydrophobicContact CB-CG2 4.19Å; N72-T74 PolarHBondContact O-N 2.63Å |
| 73 | F | 60.1 | Low | 70.8 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 10% | 0.096 | 29% | 0.293 | C | S | . | . | trans | 58.9 | 23.7 | -177.6 | -60.7 | -96 | 0 | 0 | 0 | 114.6 | D70 N153 L222 | D70-F73 PolarHBondContact O-N 2.93Å; D70-F73 PolarHBondContact OD1-N 2.79Å; F73-N153 HydrophobicContact CD2-CB 3.62Å; F73-N153 VanDerWaalsContact CE2-C 3.44Å; F73-N153 HydrophobicContact CE2-CB 3.6Å; F73-N153 WeakPolarHBondContact CE2-O 2.87Å; F73-N153 HydrophobicContact CG-CB 4.41Å; F73-N153 HydrophobicContact CZ-CB 4.3Å; F73-N153 WeakPolarHBondContact CZ-O 3.2Å; F73-L222 HydrophobicContact CD1-CD1 4.31Å; F73-L222 HydrophobicContact CE1-CD1 4.17Å; F73-L222 HydrophobicContact CE1-CD2 4.24Å | ||
| 74 | T | 57.7 | Low | 71.7 | Confident | 57 Ų | 57 | 57.9 Ų | 57.9 | 35% | 0.35 | 30% | 0.301 | S | S | . | . | trans | -81.6 | 146.9 | 170 | 78.2 | 0 | 0 | 0 | 0 | 110.5 | S69 D70 N72 L76 | S69-T74 CarbonylContact C-O 3.56Å; S69-T74 VanDerWaalsContact CA-O 3.31Å; S69-T74 WeakPolarHBondContact CA-O 2.97Å; D70-T74 PolarHBondContact N-O 3.45Å; D70-T74 PolarHBondContact OD1-N 2.95Å; D70-T74 PolarHBondContact OD1-OG1 3.34Å; D70-T74 VanDerWaalsContact OD1-OG1 3.1Å; D70-T74 PolarHBondContact OD2-OG1 2.99Å; N72-T74 HydrophobicContact CB-CG2 4.19Å; N72-T74 PolarHBondContact O-N 2.63Å; T74-L76 PolarHBondContact O-N 3.08Å | ||
| 75 | Y | 61.3 | Low | 72.1 | Confident | 63 Ų | 63 | 55.8 Ų | 55.8 | 25% | 0.247 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 123.4 | -174.8 | 175.7 | -89.8 | 0 | 0 | 0 | 111.4 | C37 W67 S78 | C37-Y75 HydrophobicContact CB-CE2 4.24Å; W67-Y75 HydrophobicContact CB-CD2 4.18Å; W67-Y75 HydrophobicContact CB-CE2 3.8Å; W67-Y75 AromaticContact CD1-CD2 3.71Å; W67-Y75 AromaticContact CG-CD2 3.9Å; W67-Y75 HydrophobicContact CG-CD2 3.9Å; W67-Y75 AromaticContact CG-CE2 3.95Å; W67-Y75 HydrophobicContact CG-CE2 3.95Å; Y75-S78 WeakPolarHBondContact OH-CB 3.26Å; Y75-S78 PolarHBondContact OH-N 2.81Å |
| 76 | L | 58.9 | Low | 72.4 | Confident | 92 Ų | 92 | 58 Ų | 58 | 48% | 0.482 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -56.6 | 175.7 | -83.7 | 167.4 | 0 | 0 | 0 | 112.6 | L68 S69 D70 T74 | L68-L76 HydrophobicContact CD2-CD1 4.48Å; L68-L76 WeakPolarHBondContact O-CB 3.2Å; L68-L76 PolarHBondContact O-N 2.85Å; S69-L76 VanDerWaalsContact C-CD1 3.48Å; S69-L76 WeakPolarHBondContact O-CD1 3.34Å; D70-L76 HydrophobicContact CB-CD1 3.75Å; D70-L76 HydrophobicContact CB-CD2 4.47Å; D70-L76 HydrophobicContact CB-CG 3.97Å; T74-L76 PolarHBondContact O-N 3.08Å |
| 77 | Q | 67.7 | Low | 72.5 | Confident | 125 Ų | 125 | 58.1 Ų | 58.1 | 58% | 0.584 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 129.6 | -163.5 | -173.6 | 177 | -2.1 | 0 | 0 | 112.7 | W67 L68 | W67-Q77 CarbonylContact C-O 3.58Å; W67-Q77 WeakPolarHBondContact CA-O 3.45Å; W67-Q77 WeakPolarHBondContact CB-O 3.35Å; L68-Q77 PolarHBondContact N-O 3.24Å; L68-Q77 PolarHBondContact O-N 3.13Å |
| 78 | S | 69.7 | Low | 72.7 | Confident | 61 Ų | 61 | 61.4 Ų | 61.4 | 43% | 0.427 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 142.1 | 170.7 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | Y75 | Y75-S78 WeakPolarHBondContact OH-CB 3.26Å; Y75-S78 PolarHBondContact OH-N 2.81Å |
| 79 | L | 73.4 | Confident | 72.9 | Confident | 28 Ų | 28 | 61.9 Ų | 61.9 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | trans | -114 | 112.3 | -179.3 | -65.1 | 167.6 | 0 | 0 | 0 | 109.8 | C66 N81 L83 F226 | C66-L79 HydrophobicContact CB-CB 4.17Å; C66-L79 PolarHBondContact O-N 2.88Å; L79-N81 VanDerWaalsContact C-N 3.3Å; L79-N81 PolarHBondContact O-N 2.86Å; L79-L83 HydrophobicContact CD1-CD1 4.11Å; L79-L83 HydrophobicContact CD1-CD2 4.36Å; L79-L83 HydrophobicContact CD1-CG 4.02Å; L79-L83 HydrophobicContact CD2-CD2 4.25Å; L79-F226 HydrophobicContact CD1-CD2 3.69Å; L79-F226 HydrophobicContact CD1-CE2 3.71Å | ||
| 80 | N | 68.8 | Low | 73.5 | Confident | 155 Ų | 155 | 64.9 Ų | 64.9 | 83% | 0.829 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -29.6 | -176.4 | -70.2 | -15 | 0 | 0 | 0 | 114.1 | ||
| 81 | N | 74 | Confident | 74.1 | Confident | 133 Ų | 133 | 66.6 Ų | 66.6 | 71% | 0.711 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | 14 | -175 | -71.4 | 1.6 | 0 | 0 | 0 | 114 | L79 L83 D84 | L79-N81 VanDerWaalsContact C-N 3.3Å; L79-N81 PolarHBondContact O-N 2.86Å; N81-L83 PolarHBondContact O-N 2.81Å; N81-D84 PolarHBondContact O-N 2.78Å |
| 82 | C | 81 | Confident | 74.8 | Confident | 12 Ų | 12 | 65.3 Ų | 65.3 | 8% | 0.081 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | 49.5 | 21.3 | 178.1 | -69.4 | 0 | 0 | 0 | 0 | 116.3 | C66 D84 F85 | C66-C82 HydrophobicContact CB-CB 3.8Å; C66-C82 WeakPolarHBondContact CB-SG 3.12Å; C66-C82 WeakPolarHBondContact SG-CB 3.41Å; C66-C82 CovalentContact SG-SG 2.02Å; C66-C82 PolarHBondContact SG-SG 3.5Å; C82-D84 PolarHBondContact O-N 2.92Å; C82-F85 WeakPolarHBondContact CB-O 3.37Å; C82-F85 WeakPolarHBondContact O-CB 3.38Å; C82-F85 PolarHBondContact O-N 3.38Å |
| 83 | L | 83.2 | Confident | 75.7 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | 54.1 | 34.3 | -176.6 | -48 | 175.6 | 0 | 0 | 0 | 113.8 | L79 N81 F85 F115 Q118 L122 I124 F226 | L79-L83 HydrophobicContact CD1-CD1 4.11Å; L79-L83 HydrophobicContact CD1-CD2 4.36Å; L79-L83 HydrophobicContact CD1-CG 4.02Å; L79-L83 HydrophobicContact CD2-CD2 4.25Å; N81-L83 PolarHBondContact O-N 2.81Å; L83-F85 PolarHBondContact O-N 2.75Å; L83-F115 HydrophobicContact CB-CD2 3.85Å; L83-F115 HydrophobicContact CB-CE2 4.38Å; L83-F115 HydrophobicContact CD1-CE2 4.44Å; L83-F115 WeakPolarHBondContact O-CA 3.2Å; L83-F115 VanDerWaalsContact O-CB 3.23Å; L83-F115 WeakPolarHBondContact O-CB 3.31Å; L83-F115 WeakPolarHBondContact O-CD2 3.35Å; L83-Q118 HydrophobicContact CB-CB 4.44Å; L83-Q118 HydrophobicContact CD2-CB 4.23Å; L83-L122 HydrophobicContact CD1-CD1 3.77Å; L83-L122 HydrophobicContact CD2-CD1 3.63Å; L83-L122 HydrophobicContact CG-CD1 4.37Å; L83-I124 HydrophobicContact CD1-CD1 3.75Å; L83-F226 HydrophobicContact CD1-CD2 3.72Å; L83-F226 HydrophobicContact CD1-CE2 3.92Å; L83-F226 HydrophobicContact CG-CD2 4.4Å; L83-F226 HydrophobicContact CG-CE2 4.12Å |
| 84 | D | 84.4 | Confident | 76.8 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 37% | 0.374 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | 58.4 | 27 | -172.7 | -61.2 | -33.3 | 0 | 0 | 0 | 114.2 | N81 C82 S112 S114 | N81-D84 PolarHBondContact O-N 2.78Å; C82-D84 PolarHBondContact O-N 2.92Å; D84-S112 WeakPolarHBondContact CB-OG 3.13Å; D84-S112 PolarHBondContact O-OG 3.32Å; D84-S114 WeakPolarHBondContact OD2-CB 3.47Å; D84-S114 PolarHBondContact OD2-OG 3.44Å |
| 85 | F | 86 | Confident | 78 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.4 | 166 | -174 | -101 | 0 | 0 | 0 | 109.5 | Q64 C82 L83 I87 A109 T110 A111 F115 L198 I221 I223 F226 | Q64-F85 PolarHBondContact NE2-O 2.84Å; C82-F85 WeakPolarHBondContact CB-O 3.37Å; C82-F85 WeakPolarHBondContact O-CB 3.38Å; C82-F85 PolarHBondContact O-N 3.38Å; L83-F85 PolarHBondContact O-N 2.75Å; F85-I87 HydrophobicContact CD1-CG1 4.21Å; F85-I87 HydrophobicContact CE1-CD1 3.91Å; F85-I87 HydrophobicContact CE1-CG1 3.57Å; F85-I87 HydrophobicContact CZ-CG1 4.34Å; F85-A109 HydrophobicContact CZ-CB 4.14Å; F85-T110 WeakPolarHBondContact CA-O 2.95Å; F85-T110 WeakPolarHBondContact CD2-O 3.43Å; F85-A111 HydrophobicContact CD2-CB 3.91Å; F85-A111 HydrophobicContact CE2-CB 4.18Å; F85-F115 HydrophobicContact CB-CD2 3.76Å; F85-F115 HydrophobicContact CB-CE2 4.04Å; F85-F115 HydrophobicContact CD2-CD2 4.44Å; F85-F115 HydrophobicContact CD2-CE2 4.39Å; F85-F115 HydrophobicContact CG-CD2 4.48Å; F85-F115 HydrophobicContact CG-CE2 4.42Å; F85-L198 HydrophobicContact CE2-CD2 3.75Å; F85-L198 HydrophobicContact CZ-CD2 4.05Å; F85-I221 HydrophobicContact CE1-CB 4.29Å; F85-I221 HydrophobicContact CE1-CD1 4.04Å; F85-I221 HydrophobicContact CE1-CG2 4.38Å; F85-I221 HydrophobicContact CZ-CB 4.31Å; F85-I221 HydrophobicContact CZ-CD1 3.78Å; F85-I221 HydrophobicContact CZ-CG2 3.96Å; F85-I223 HydrophobicContact CD2-CD1 4.15Å; F85-I223 HydrophobicContact CE2-CD1 3.76Å; F85-I223 HydrophobicContact CZ-CD1 4.04Å; F85-F226 HydrophobicContact CB-CE1 4.12Å; F85-F226 HydrophobicContact CB-CZ 3.95Å; F85-F226 AromaticContact CD1-CE1 3.81Å; F85-F226 HydrophobicContact CD1-CE1 3.81Å; F85-F226 HydrophobicContact CD1-CZ 4.12Å; F85-F226 HydrophobicContact CE1-CE1 4.42Å; F85-F226 AromaticContact CG-CE1 3.96Å; F85-F226 HydrophobicContact CG-CE1 3.96Å; F85-F226 HydrophobicContact CG-CZ 4.24Å |
| 86 | N | 86.3 | Confident | 79 | Confident | 78 Ų | 78 | 67.4 Ų | 67.4 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 142.2 | -179.7 | -57 | -66.2 | 0 | 0 | 0 | 111.8 | A109 T110 | N86-A109 CarbonylContact O-C 3.6Å; N86-A109 WeakPolarHBondContact O-CA 3.32Å; N86-T110 WeakPolarHBondContact CB-OG1 3.45Å; N86-T110 PolarHBondContact N-O 3.23Å; N86-T110 PolarHBondContact O-N 2.96Å |
| 87 | I | 85 | Confident | 80.2 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.1 | 169.6 | -43.7 | 174.9 | 0 | 0 | 0 | 108.2 | Q64 F85 F107 F108 I221 S228 L230 | Q64-I87 VanDerWaalsContact OE1-N 3.14Å; F85-I87 HydrophobicContact CD1-CG1 4.21Å; F85-I87 HydrophobicContact CE1-CD1 3.91Å; F85-I87 HydrophobicContact CE1-CG1 3.57Å; F85-I87 HydrophobicContact CZ-CG1 4.34Å; I87-F107 HydrophobicContact CG2-CD2 3.82Å; I87-F107 HydrophobicContact CG2-CG 4.48Å; I87-F108 WeakPolarHBondContact CA-O 3.42Å; I87-I221 HydrophobicContact CD1-CB 4.38Å; I87-I221 HydrophobicContact CD1-CD1 3.62Å; I87-I221 HydrophobicContact CD1-CG1 3.83Å; I87-I221 HydrophobicContact CG1-CD1 3.93Å; I87-I221 HydrophobicContact CG2-CD1 4.49Å; I87-S228 WeakPolarHBondContact CD1-OG 3.22Å; I87-L230 HydrophobicContact CB-CB 4.35Å; I87-L230 HydrophobicContact CB-CD2 4.34Å; I87-L230 HydrophobicContact CG2-CB 4.16Å; I87-L230 HydrophobicContact CG2-CD2 3.76Å; I87-L230 HydrophobicContact CG2-CG 4.49Å |
| 88 | V | 84.9 | Confident | 80.7 | Confident | 86 Ų | 86 | 59.7 Ų | 59.7 | 52% | 0.521 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 136.2 | -174.8 | -173.3 | 0 | 0 | 0 | 0 | 110.4 | I90 F107 F108 | V88-I90 PolarHBondContact O-N 3.29Å; V88-F107 CarbonylContact O-C 3.45Å; V88-F107 WeakPolarHBondContact O-CA 3.32Å; V88-F107 WeakPolarHBondContact O-CB 3.46Å; V88-F108 PolarHBondContact N-O 3.49Å; V88-F108 PolarHBondContact O-N 3.43Å |
| 89 | W | 83.5 | Confident | 80.8 | Confident | 26 Ų | 26 | 58 Ų | 58 | 10% | 0.098 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 128.1 | 171.5 | -67.9 | 115 | 0 | 0 | 0 | 110.7 | E92 P93 I105 F107 L217 V219 L230 K232 | W89-E92 HydrophobicContact CB-CB 4.07Å; W89-E92 HydrophobicContact CB-CG 4.45Å; W89-E92 HydrophobicContact CG-CB 4.23Å; W89-E92 HydrophobicContact CG-CG 4.13Å; W89-P93 HydrophobicContact CH2-CG 4Å; W89-P93 HydrophobicContact CZ2-CG 4.2Å; W89-P93 HydrophobicContact CZ3-CG 4.22Å; W89-I105 HydrophobicContact CH2-CD1 4.2Å; W89-I105 HydrophobicContact CZ3-CB 3.97Å; W89-I105 HydrophobicContact CZ3-CD1 4.04Å; W89-I105 HydrophobicContact CZ3-CG1 4.47Å; W89-I105 HydrophobicContact CZ3-CG2 4.47Å; W89-F107 HydrophobicContact CE3-CB 4.02Å; W89-F107 HydrophobicContact CZ3-CB 4.31Å; W89-F107 HydrophobicContact CZ3-CD1 4.34Å; W89-L217 HydrophobicContact CH2-CD2 4.09Å; W89-V219 HydrophobicContact CH2-CG2 3.6Å; W89-V219 HydrophobicContact CZ2-CG2 4.32Å; W89-V219 HydrophobicContact CZ3-CG2 4.21Å; W89-L230 HydrophobicContact CD2-CD2 3.69Å; W89-L230 HydrophobicContact CE3-CD2 4.32Å; W89-L230 HydrophobicContact CG-CD2 3.98Å; W89-L230 HydrophobicContact CH2-CD2 4.39Å; W89-L230 HydrophobicContact CZ2-CD2 3.77Å; W89-L230 HydrophobicContact CZ2-CG 4.07Å; W89-K232 HydrophobicContact CZ2-CB 4.12Å |
| 90 | I | 84.8 | Confident | 80.5 | Confident | 63 Ų | 63 | 61.8 Ų | 61.8 | 32% | 0.323 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -49.2 | 167.1 | -58.9 | 170.8 | 0 | 0 | 0 | 108.8 | V88 R106 F108 E201 | V88-I90 PolarHBondContact O-N 3.29Å; I90-R106 HydrophobicContact CB-CB 3.95Å; I90-R106 HydrophobicContact CG2-CB 4.39Å; I90-R106 PolarHBondContact N-O 2.91Å; I90-F108 HydrophobicContact CD1-CB 3.93Å; I90-F108 HydrophobicContact CD1-CD2 4Å; I90-F108 HydrophobicContact CD1-CG 4.48Å; I90-F108 HydrophobicContact CG1-CB 4.01Å; I90-E201 HydrophobicContact CD1-CB 3.93Å; I90-E201 HydrophobicContact CD1-CG 3.47Å; I90-E201 VanDerWaalsContact CD1-CG 3.47Å |
| 91 | N | 82 | Confident | 80.8 | Confident | 72 Ų | 72 | 60.3 Ų | 60.3 | 39% | 0.385 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 99.8 | 169.3 | -75.7 | 12.4 | 0 | 0 | 0 | 107.9 | R106 | N91-R106 HydrophobicContact CB-CB 4.05Å; N91-R106 HydrophobicContact CB-CG 4.4Å; N91-R106 VanDerWaalsContact CG-NE 3.3Å; N91-R106 VanDerWaalsContact CG-NH2 3.29Å; N91-R106 PolarHBondContact N-O 2.95Å; N91-R106 PolarHBondContact ND2-NE 3.44Å; N91-R106 PolarHBondContact ND2-NH2 3.3Å; N91-R106 VanDerWaalsContact ND2-NH2 3.11Å; N91-R106 PolarHBondContact OD1-NH2 2.86Å |
| 92 | E | 78.6 | Confident | 80.9 | Confident | 93 Ų | 93 | 59.7 Ų | 59.7 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 138.9 | 176.9 | -166.9 | 177.4 | -171.1 | 0 | 0 | 110.7 | W89 K232 | W89-E92 HydrophobicContact CB-CB 4.07Å; W89-E92 HydrophobicContact CB-CG 4.45Å; W89-E92 HydrophobicContact CG-CB 4.23Å; W89-E92 HydrophobicContact CG-CG 4.13Å; E92-K232 HydrophobicContact CG-CD 4.24Å; E92-K232 VanDerWaalsContact OE1-CD 3.28Å; E92-K232 WeakPolarHBondContact OE1-CD 3.36Å; E92-K232 WeakPolarHBondContact OE1-CE 3.48Å; E92-K232 IonicContact OE1-NZ 2.83Å; E92-K232 PolarHBondContact OE1-NZ 3.37Å |
| 93 | P | 78.5 | Confident | 80.8 | Confident | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 141.7 | 174.9 | -8.1 | 16.8 | 0 | 0 | 0 | 111 | W89 W97 I105 L217 K232 V234 | W89-P93 HydrophobicContact CH2-CG 4Å; W89-P93 HydrophobicContact CZ2-CG 4.2Å; W89-P93 HydrophobicContact CZ3-CG 4.22Å; P93-W97 HydrophobicContact CB-CH2 4.21Å; P93-W97 HydrophobicContact CB-CZ3 3.65Å; P93-I105 HydrophobicContact CB-CG2 4.24Å; P93-I105 HydrophobicContact CG-CG2 3.89Å; P93-L217 HydrophobicContact CB-CD2 4.21Å; P93-L217 HydrophobicContact CG-CD2 3.52Å; P93-K232 HydrophobicContact CB-CG 4.47Å; P93-K232 HydrophobicContact CG-CB 4.38Å; P93-K232 HydrophobicContact CG-CG 4.04Å; P93-V234 HydrophobicContact CB-CG2 4.48Å |
| 94 | P | 83.3 | Confident | 80.8 | Confident | 64 Ų | 64 | 66.1 Ų | 66.1 | 42% | 0.416 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 148.5 | 175.7 | 23.2 | -26.7 | 0 | 0 | 0 | 110.6 | E96 W97 I103 | P94-E96 PolarHBondContact O-N 3.41Å; P94-W97 HydrophobicContact CG-CE3 3.91Å; P94-W97 HydrophobicContact CG-CZ3 4.46Å; P94-I103 HydrophobicContact CG-CD1 4.01Å |
| 95 | N | 83.5 | Confident | 80.9 | Confident | 104 Ų | 104 | 62.8 Ų | 62.8 | 56% | 0.556 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -63.2 | -24 | -180 | -67.6 | -26.5 | 0 | 0 | 0 | 112.7 | K232 T235 | N95-K232 VanDerWaalsContact OD1-CE 3.32Å; N95-K232 WeakPolarHBondContact OD1-CE 3.49Å; N95-K232 PolarHBondContact OD1-NZ 2.89Å; N95-T235 PolarHBondContact O-N 2.89Å |
| 96 | E | 82 | Confident | 80.9 | Confident | 133 Ų | 133 | 66.3 Ų | 66.3 | 62% | 0.621 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 137.1 | -177.8 | -81.5 | 169.2 | -157.9 | 0 | 0 | 111.2 | P94 T235 | P94-E96 PolarHBondContact O-N 3.41Å; E96-T235 VanDerWaalsContact CA-O 3.27Å; E96-T235 WeakPolarHBondContact CA-O 3.37Å; E96-T235 HydrophobicContact CG-CG2 4.37Å |
| 97 | W | 83.7 | Confident | 80.9 | Confident | 18 Ų | 18 | 62.6 Ų | 62.6 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 159.7 | 168.8 | 66.1 | 73.7 | 0 | 0 | 0 | 113.9 | P93 P94 I103 M164 V206 V234 T235 I236 T237 | P93-W97 HydrophobicContact CB-CH2 4.21Å; P93-W97 HydrophobicContact CB-CZ3 3.65Å; P94-W97 HydrophobicContact CG-CE3 3.91Å; P94-W97 HydrophobicContact CG-CZ3 4.46Å; W97-I103 HydrophobicContact CB-CD1 3.48Å; W97-I103 VanDerWaalsContact CB-CD1 3.48Å; W97-I103 HydrophobicContact CD2-CD1 3.09Å; W97-I103 HydrophobicContact CD2-CG1 4.45Å; W97-I103 HydrophobicContact CE3-CD1 3.15Å; W97-I103 HydrophobicContact CG-CD1 3.29Å; W97-I103 HydrophobicContact CH2-CD1 4.21Å; W97-I103 HydrophobicContact CZ2-CD1 4.21Å; W97-I103 HydrophobicContact CZ3-CD1 3.73Å; W97-M164 HydrophobicContact CZ2-CE 3.93Å; W97-M164 HydrophobicContact CZ2-SD 4.23Å; W97-V206 HydrophobicContact CZ2-CG1 4.35Å; W97-V234 HydrophobicContact CD2-CG1 3.52Å; W97-V234 HydrophobicContact CE3-CB 4.44Å; W97-V234 HydrophobicContact CE3-CG1 3.24Å; W97-V234 HydrophobicContact CE3-CG2 4.36Å; W97-V234 HydrophobicContact CG-CG1 4.5Å; W97-V234 HydrophobicContact CH2-CB 4.17Å; W97-V234 HydrophobicContact CH2-CG1 3.57Å; W97-V234 HydrophobicContact CH2-CG2 3.74Å; W97-V234 HydrophobicContact CZ2-CG1 3.76Å; W97-V234 HydrophobicContact CZ3-CB 4.07Å; W97-V234 HydrophobicContact CZ3-CG1 3.28Å; W97-V234 HydrophobicContact CZ3-CG2 3.59Å; W97-T235 PolarHBondContact N-O 2.83Å; W97-I236 VanDerWaalsContact O-CA 3.3Å; W97-I236 WeakPolarHBondContact O-CA 3.28Å; W97-T237 PolarHBondContact O-N 2.9Å; W97-T237 PolarHBondContact O-OG1 2.88Å |
| 98 | S | 78.7 | Confident | 80.9 | Confident | 38 Ų | 38 | 66 Ų | 66 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 147.8 | -176 | 60.3 | 0 | 0 | 0 | 0 | 113.2 | K101 T237 | S98-K101 WeakPolarHBondContact O-CB 3.23Å; S98-K101 PolarHBondContact O-N 3.28Å; S98-K101 WeakPolarHBondContact OG-CB 3.19Å; S98-T237 CarbonylContact C-O 3.59Å |
| 99 | I | 71.2 | Confident | 80.9 | Confident | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 140.3 | 165.1 | -155.2 | 160.9 | 0 | 0 | 0 | 109.2 | K101 V209 T210 I236 T237 L239 | I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 2.82Å; I99-V209 WeakPolarHBondContact CG1-O 3.36Å; I99-T210 WeakPolarHBondContact CD1-O 3.33Å; I99-I236 HydrophobicContact CB-CG2 4.4Å; I99-T237 WeakPolarHBondContact CB-O 3.34Å; I99-T237 PolarHBondContact N-O 3.37Å; I99-L239 HydrophobicContact CG2-CB 4.44Å; I99-L239 HydrophobicContact CG2-CD1 4.5Å |
| 100 | D | 68.4 | Low | 81 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 57% | 0.572 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 2.4 | -175.2 | -56.1 | -37.8 | 0 | 0 | 0 | 118.7 | N208 | D100-N208 PolarHBondContact O-ND2 3.26Å; D100-N208 PolarHBondContact O-OD1 3.4Å |
| 101 | K | 74.6 | Confident | 81 | Confident | 124 Ų | 124 | 60.5 Ų | 60.5 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | trans | -89.3 | 115.2 | 174.3 | -170 | 175.9 | -177.3 | 178.7 | 0 | 111.8 | S98 I99 | S98-K101 WeakPolarHBondContact O-CB 3.23Å; S98-K101 PolarHBondContact O-N 3.28Å; S98-K101 WeakPolarHBondContact OG-CB 3.19Å; I99-K101 VanDerWaalsContact C-N 3.33Å; I99-K101 PolarHBondContact O-N 2.82Å | ||
| 102 | M | 74.8 | Confident | 81.2 | Confident | 121 Ų | 121 | 59 Ų | 59 | 60% | 0.596 | 29% | 0.291 | S | S | * | . | trans | -69.6 | 132.4 | 167.3 | -67.6 | -170.9 | -137.3 | 0 | 0 | 110.4 | L205 N208 | M102-L205 HydrophobicContact CB-CD2 4Å; M102-L205 HydrophobicContact SD-CD2 4.2Å; M102-N208 WeakPolarHBondContact CG-OD1 3.32Å; M102-N208 PolarHBondContact N-OD1 3.15Å | ||
| 103 | I | 80.3 | Confident | 81.4 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 9% | 0.092 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135.4 | 175.8 | -73.6 | 167.3 | 0 | 0 | 0 | 110 | P94 W97 I105 V206 | P94-I103 HydrophobicContact CG-CD1 4.01Å; W97-I103 HydrophobicContact CB-CD1 3.48Å; W97-I103 VanDerWaalsContact CB-CD1 3.48Å; W97-I103 HydrophobicContact CD2-CD1 3.09Å; W97-I103 HydrophobicContact CD2-CG1 4.45Å; W97-I103 HydrophobicContact CE3-CD1 3.15Å; W97-I103 HydrophobicContact CG-CD1 3.29Å; W97-I103 HydrophobicContact CH2-CD1 4.21Å; W97-I103 HydrophobicContact CZ2-CD1 4.21Å; W97-I103 HydrophobicContact CZ3-CD1 3.73Å; I103-I105 HydrophobicContact CG2-CG2 4.18Å; I103-V206 PolarHBondContact O-N 2.02Å |
| 104 | R | 82.8 | Confident | 81.8 | Confident | 139 Ų | 139 | 60.8 Ų | 60.8 | 53% | 0.525 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.7 | 174.7 | -175.4 | 177.6 | -75.7 | -92.1 | 5.6 | 108.9 | N203 L204 | R104-N203 WeakPolarHBondContact CD-OD1 3.25Å; R104-N203 WeakPolarHBondContact CG-OD1 3.26Å; R104-N203 VanDerWaalsContact NH1-CG 3.28Å; R104-N203 PolarHBondContact NH1-ND2 3.38Å; R104-N203 PolarHBondContact NH1-OD1 3.37Å; R104-L204 CarbonylContact C-O 3.48Å; R104-L204 WeakPolarHBondContact CA-O 3.41Å |
| 105 | I | 85.2 | Confident | 82 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 145.1 | 177.9 | 60.5 | 170.8 | 0 | 0 | 0 | 110 | W89 P93 I103 L162 L204 V206 L217 V219 | W89-I105 HydrophobicContact CH2-CD1 4.2Å; W89-I105 HydrophobicContact CZ3-CB 3.97Å; W89-I105 HydrophobicContact CZ3-CD1 4.04Å; W89-I105 HydrophobicContact CZ3-CG1 4.47Å; W89-I105 HydrophobicContact CZ3-CG2 4.47Å; P93-I105 HydrophobicContact CB-CG2 4.24Å; P93-I105 HydrophobicContact CG-CG2 3.89Å; I103-I105 HydrophobicContact CG2-CG2 4.18Å; I105-L162 HydrophobicContact CD1-CD1 3.43Å; I105-L162 VanDerWaalsContact CD1-CD1 3.43Å; I105-L162 HydrophobicContact CD1-CD2 4.1Å; I105-L162 HydrophobicContact CD1-CG 4.42Å; I105-L204 HydrophobicContact CD1-CB 4.39Å; I105-L204 HydrophobicContact CG1-CB 4.03Å; I105-L204 PolarHBondContact N-O 3.15Å; I105-L204 PolarHBondContact O-N 3.47Å; I105-V206 HydrophobicContact CD1-CG2 4.11Å; I105-V206 HydrophobicContact CG1-CG2 4.19Å; I105-V206 HydrophobicContact CG2-CG2 3.7Å; I105-L217 HydrophobicContact CD1-CD2 4.48Å; I105-L217 HydrophobicContact CG2-CD2 4.39Å; I105-V219 HydrophobicContact CD1-CG2 4.22Å |
| 106 | R | 86.3 | Confident | 82.2 | Confident | 74 Ų | 74 | 53.1 Ų | 53.1 | 28% | 0.279 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.8 | 174.9 | -57.4 | -169.4 | -63.2 | 155.1 | -6.1 | 111 | I90 N91 E201 W202 N203 | I90-R106 HydrophobicContact CB-CB 3.95Å; I90-R106 HydrophobicContact CG2-CB 4.39Å; I90-R106 PolarHBondContact N-O 2.91Å; N91-R106 HydrophobicContact CB-CB 4.05Å; N91-R106 HydrophobicContact CB-CG 4.4Å; N91-R106 VanDerWaalsContact CG-NE 3.3Å; N91-R106 VanDerWaalsContact CG-NH2 3.29Å; N91-R106 PolarHBondContact N-O 2.95Å; N91-R106 PolarHBondContact ND2-NE 3.44Å; N91-R106 PolarHBondContact ND2-NH2 3.3Å; N91-R106 VanDerWaalsContact ND2-NH2 3.11Å; N91-R106 PolarHBondContact OD1-NH2 2.86Å; R106-E201 VanDerWaalsContact CD-OE1 3.29Å; R106-E201 WeakPolarHBondContact CD-OE1 3.43Å; R106-E201 IonicContact CZ-OE1 3.58Å; R106-E201 IonicContact NE-OE1 2.67Å; R106-E201 IonicContact NH1-OE1 2.77Å; R106-E201 PolarHBondContact NH1-OE1 3.27Å; R106-W202 WeakPolarHBondContact CA-O 3.3Å; R106-N203 HydrophobicContact CG-CB 4.38Å |
| 107 | F | 86.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 156.1 | 177 | 63.3 | -88.6 | 0 | 0 | 0 | 110.3 | I87 V88 W89 I160 W202 L204 V219 I221 | I87-F107 HydrophobicContact CG2-CD2 3.82Å; I87-F107 HydrophobicContact CG2-CG 4.48Å; V88-F107 CarbonylContact O-C 3.45Å; V88-F107 WeakPolarHBondContact O-CA 3.32Å; V88-F107 WeakPolarHBondContact O-CB 3.46Å; W89-F107 HydrophobicContact CE3-CB 4.02Å; W89-F107 HydrophobicContact CZ3-CB 4.31Å; W89-F107 HydrophobicContact CZ3-CD1 4.34Å; F107-I160 HydrophobicContact CE2-CD1 4.48Å; F107-I160 HydrophobicContact CZ-CD1 4.48Å; F107-I160 HydrophobicContact CZ-CG2 4.07Å; F107-W202 HydrophobicContact CD1-CB 4.01Å; F107-W202 HydrophobicContact CD2-CB 3.95Å; F107-W202 HydrophobicContact CD2-CG 4.26Å; F107-W202 HydrophobicContact CE1-CB 3.57Å; F107-W202 HydrophobicContact CE1-CG 4.39Å; F107-W202 HydrophobicContact CE2-CB 3.5Å; F107-W202 VanDerWaalsContact CE2-CB 3.5Å; F107-W202 AromaticContact CE2-CD1 3.59Å; F107-W202 HydrophobicContact CE2-CD2 4.48Å; F107-W202 AromaticContact CE2-CG 3.55Å; F107-W202 HydrophobicContact CE2-CG 3.55Å; F107-W202 HydrophobicContact CG-CB 4.18Å; F107-W202 HydrophobicContact CZ-CB 3.28Å; F107-W202 HydrophobicContact CZ-CD2 4.36Å; F107-W202 AromaticContact CZ-CG 3.62Å; F107-W202 HydrophobicContact CZ-CG 3.62Å; F107-W202 PolarHBondContact N-O 2.87Å; F107-W202 VanDerWaalsContact N-O 3.16Å; F107-W202 PolarHBondContact O-N 2.91Å; F107-L204 HydrophobicContact CE1-CD1 3.75Å; F107-L204 HydrophobicContact CE1-CG 4.12Å; F107-L204 HydrophobicContact CZ-CD1 4.08Å; F107-V219 HydrophobicContact CD1-CG1 4.25Å; F107-V219 HydrophobicContact CD1-CG2 4.27Å; F107-V219 HydrophobicContact CD2-CG1 4.25Å; F107-V219 HydrophobicContact CE1-CG1 3.76Å; F107-V219 HydrophobicContact CE1-CG2 4.21Å; F107-V219 HydrophobicContact CE2-CG1 3.75Å; F107-V219 HydrophobicContact CG-CG1 4.48Å; F107-V219 HydrophobicContact CZ-CG1 3.48Å; F107-V219 VanDerWaalsContact CZ-CG1 3.48Å; F107-I221 HydrophobicContact CE2-CD1 4.47Å |
| 108 | F | 85.7 | Confident | 82.4 | Confident | 78 Ų | 78 | 49.5 Ų | 49.5 | 34% | 0.342 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.7 | 176 | -152 | -82.9 | 0 | 0 | 0 | 108.5 | I87 V88 I90 T110 E201 | I87-F108 WeakPolarHBondContact CA-O 3.42Å; V88-F108 PolarHBondContact N-O 3.49Å; V88-F108 PolarHBondContact O-N 3.43Å; I90-F108 HydrophobicContact CD1-CB 3.93Å; I90-F108 HydrophobicContact CD1-CD2 4Å; I90-F108 HydrophobicContact CD1-CG 4.48Å; I90-F108 HydrophobicContact CG1-CB 4.01Å; F108-T110 HydrophobicContact CD1-CG2 3.54Å; F108-T110 HydrophobicContact CE1-CG2 3.65Å; F108-E201 HydrophobicContact CD2-CB 4Å; F108-E201 HydrophobicContact CE2-CB 4.22Å |
| 109 | A | 85.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | F85 N86 L198 N199 I221 | F85-A109 HydrophobicContact CZ-CB 4.14Å; N86-A109 CarbonylContact O-C 3.6Å; N86-A109 WeakPolarHBondContact O-CA 3.32Å; A109-L198 CarbonylContact C-O 3.6Å; A109-L198 WeakPolarHBondContact CB-O 3.49Å; A109-N199 WeakPolarHBondContact O-CA 3.45Å; A109-I221 HydrophobicContact CB-CD1 3.69Å |
| 110 | T | 85.1 | Confident | 83.3 | Confident | 50 Ų | 50 | 49.4 Ų | 49.4 | 31% | 0.307 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 125.2 | 176.9 | 60.3 | 0 | 0 | 0 | 0 | 110.9 | F85 N86 F108 N199 | F85-T110 WeakPolarHBondContact CA-O 2.95Å; F85-T110 WeakPolarHBondContact CD2-O 3.43Å; N86-T110 WeakPolarHBondContact CB-OG1 3.45Å; N86-T110 PolarHBondContact N-O 3.23Å; N86-T110 PolarHBondContact O-N 2.96Å; F108-T110 HydrophobicContact CD1-CG2 3.54Å; F108-T110 HydrophobicContact CE1-CG2 3.65Å; T110-N199 WeakPolarHBondContact CA-OD1 3Å |
| 111 | A | 85 | Confident | 84.1 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 117.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | F85 F115 Y116 N199 | F85-A111 HydrophobicContact CD2-CB 3.91Å; F85-A111 HydrophobicContact CE2-CB 4.18Å; A111-F115 HydrophobicContact CB-CD1 3.85Å; A111-F115 HydrophobicContact CB-CE1 4.42Å; A111-F115 HydrophobicContact CB-CG 4.3Å; A111-Y116 HydrophobicContact CB-CE2 4.22Å; A111-N199 PolarHBondContact N-OD1 2.73Å |
| 112 | S | 85.1 | Confident | 84.5 | Confident | 40 Ų | 40 | 49.4 Ų | 49.4 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | trans | -76.7 | 168.2 | 176.1 | 70.3 | 0 | 0 | 0 | 0 | 112.1 | D84 S114 F115 Y116 | D84-S112 WeakPolarHBondContact CB-OG 3.13Å; D84-S112 PolarHBondContact O-OG 3.32Å; S112-S114 PolarHBondContact O-N 3.28Å; S112-S114 WeakPolarHBondContact OG-CB 3.2Å; S112-S114 PolarHBondContact OG-N 3.45Å; S112-F115 WeakPolarHBondContact O-CB 3.44Å; S112-F115 PolarHBondContact O-N 3.41Å; S112-F115 PolarHBondContact OG-N 2.79Å; S112-Y116 VanDerWaalsContact O-CD2 3.3Å; S112-Y116 WeakPolarHBondContact O-CD2 2.95Å | ||
| 113 | S | 83.7 | Confident | 84.8 | Confident | 91 Ų | 91 | 47.8 Ų | 47.8 | 64% | 0.636 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -61.3 | -31.2 | 170.8 | 51.8 | 0 | 0 | 0 | 0 | 112.7 | Y116 G117 | S113-Y116 PolarHBondContact O-N 3.42Å; S113-G117 PolarHBondContact O-N 2.96Å |
| 114 | S | 86.1 | Confident | 85 | Confident | 44 Ų | 44 | 47 Ų | 47 | 31% | 0.308 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.8 | -40.5 | 174.7 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | D84 S112 Y116 G117 Q118 | D84-S114 WeakPolarHBondContact OD2-CB 3.47Å; D84-S114 PolarHBondContact OD2-OG 3.44Å; S112-S114 PolarHBondContact O-N 3.28Å; S112-S114 WeakPolarHBondContact OG-CB 3.2Å; S112-S114 PolarHBondContact OG-N 3.45Å; S114-Y116 PolarHBondContact O-N 3.23Å; S114-G117 PolarHBondContact O-N 3.45Å; S114-Q118 WeakPolarHBondContact O-CG 3.26Å; S114-Q118 PolarHBondContact O-N 2.7Å; S114-Q118 PolarHBondContact OG-NE2 2.83Å |
| 115 | F | 88.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.5 | -50.5 | 175.4 | 171.2 | -98.2 | 0 | 0 | 0 | 111.8 | L83 F85 A111 S112 G117 Q118 A119 I223 F226 | L83-F115 HydrophobicContact CB-CD2 3.85Å; L83-F115 HydrophobicContact CB-CE2 4.38Å; L83-F115 HydrophobicContact CD1-CE2 4.44Å; L83-F115 WeakPolarHBondContact O-CA 3.2Å; L83-F115 VanDerWaalsContact O-CB 3.23Å; L83-F115 WeakPolarHBondContact O-CB 3.31Å; L83-F115 WeakPolarHBondContact O-CD2 3.35Å; F85-F115 HydrophobicContact CB-CD2 3.76Å; F85-F115 HydrophobicContact CB-CE2 4.04Å; F85-F115 HydrophobicContact CD2-CD2 4.44Å; F85-F115 HydrophobicContact CD2-CE2 4.39Å; F85-F115 HydrophobicContact CG-CD2 4.48Å; F85-F115 HydrophobicContact CG-CE2 4.42Å; A111-F115 HydrophobicContact CB-CD1 3.85Å; A111-F115 HydrophobicContact CB-CE1 4.42Å; A111-F115 HydrophobicContact CB-CG 4.3Å; S112-F115 WeakPolarHBondContact O-CB 3.44Å; S112-F115 PolarHBondContact O-N 3.41Å; S112-F115 PolarHBondContact OG-N 2.79Å; F115-G117 VanDerWaalsContact C-N 3.33Å; F115-G117 PolarHBondContact O-N 3.38Å; F115-Q118 PolarHBondContact O-N 2.8Å; F115-A119 VanDerWaalsContact O-CB 3.3Å; F115-A119 WeakPolarHBondContact O-CB 3.26Å; F115-A119 PolarHBondContact O-N 2.88Å; F115-I223 HydrophobicContact CE1-CD1 4.15Å; F115-I223 HydrophobicContact CE1-CG2 4.45Å; F115-I223 HydrophobicContact CE2-CD1 4.49Å; F115-I223 HydrophobicContact CZ-CB 4.44Å; F115-I223 HydrophobicContact CZ-CD1 3.68Å; F115-I223 HydrophobicContact CZ-CG2 4.19Å; F115-F226 AromaticContact CE2-CD1 3.89Å; F115-F226 HydrophobicContact CE2-CD1 3.89Å; F115-F226 AromaticContact CE2-CE1 3.83Å; F115-F226 HydrophobicContact CE2-CE1 3.83Å; F115-F226 HydrophobicContact CE2-CG 4.3Å; F115-F226 HydrophobicContact CE2-CZ 4.17Å; F115-F226 HydrophobicContact CZ-CD1 4.16Å; F115-F226 HydrophobicContact CZ-CE1 4.39Å |
| 116 | Y | 86.6 | Confident | 84.2 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.9 | -36.5 | -178.8 | -63 | -61.5 | 0 | 0 | 0 | 112.7 | A111 S112 S113 S114 A119 I120 V137 C141 | A111-Y116 HydrophobicContact CB-CE2 4.22Å; S112-Y116 VanDerWaalsContact O-CD2 3.3Å; S112-Y116 WeakPolarHBondContact O-CD2 2.95Å; S113-Y116 PolarHBondContact O-N 3.42Å; S114-Y116 PolarHBondContact O-N 3.23Å; Y116-A119 PolarHBondContact O-N 2.84Å; Y116-I120 WeakPolarHBondContact O-CG1 3.18Å; Y116-I120 PolarHBondContact O-N 3.33Å; Y116-V137 HydrophobicContact CD1-CB 4.27Å; Y116-V137 HydrophobicContact CD1-CG1 3.58Å; Y116-V137 HydrophobicContact CE1-CG1 4.28Å; Y116-V137 HydrophobicContact CG-CG1 4.44Å; Y116-C141 HydrophobicContact CE1-CB 4.18Å |
| 117 | G | 85.6 | Confident | 83.5 | Confident | 18 Ų | 18 | 44.2 Ų | 44.2 | 19% | 0.186 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S113 S114 F115 A119 I120 Q121 | S113-G117 PolarHBondContact O-N 2.96Å; S114-G117 PolarHBondContact O-N 3.45Å; F115-G117 VanDerWaalsContact C-N 3.33Å; F115-G117 PolarHBondContact O-N 3.38Å; G117-A119 VanDerWaalsContact C-N 3.29Å; G117-A119 PolarHBondContact O-N 2.81Å; G117-I120 PolarHBondContact O-N 3.1Å; G117-Q121 PolarHBondContact O-N 3.37Å |
| 118 | Q | 86.2 | Confident | 82.8 | Confident | 58 Ų | 58 | 46.8 Ų | 46.8 | 27% | 0.271 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.5 | -32.2 | 176.1 | -67.8 | -179.5 | 59.9 | 0 | 0 | 111.8 | L83 S114 F115 I120 Q121 L122 | L83-Q118 HydrophobicContact CB-CB 4.44Å; L83-Q118 HydrophobicContact CD2-CB 4.23Å; S114-Q118 WeakPolarHBondContact O-CG 3.26Å; S114-Q118 PolarHBondContact O-N 2.7Å; S114-Q118 PolarHBondContact OG-NE2 2.83Å; F115-Q118 PolarHBondContact O-N 2.8Å; Q118-I120 PolarHBondContact O-N 2.85Å; Q118-Q121 PolarHBondContact O-N 2.94Å; Q118-L122 WeakPolarHBondContact O-CB 3.38Å; Q118-L122 WeakPolarHBondContact O-CG 3.47Å; Q118-L122 PolarHBondContact O-N 2.98Å |
| 119 | A | 84.4 | Confident | 82 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F115 Y116 G117 N123 I124 F125 | F115-A119 VanDerWaalsContact O-CB 3.3Å; F115-A119 WeakPolarHBondContact O-CB 3.26Å; F115-A119 PolarHBondContact O-N 2.88Å; Y116-A119 PolarHBondContact O-N 2.84Å; G117-A119 VanDerWaalsContact C-N 3.29Å; G117-A119 PolarHBondContact O-N 2.81Å; A119-N123 PolarHBondContact O-N 2.68Å; A119-I124 VanDerWaalsContact CA-CD1 3.46Å; A119-I124 HydrophobicContact CB-CB 4.18Å; A119-I124 HydrophobicContact CB-CD1 3.61Å; A119-I124 HydrophobicContact CB-CG1 4.18Å; A119-I124 PolarHBondContact O-N 3.05Å; A119-F125 HydrophobicContact CB-CD2 4.46Å; A119-F125 HydrophobicContact CB-CE2 3.93Å |
| 120 | I | 83.2 | Confident | 81.4 | Confident | 60 Ų | 60 | 55.9 Ų | 55.9 | 31% | 0.308 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.3 | -46.8 | 173.9 | -64.5 | 165.4 | 0 | 0 | 0 | 109.8 | Y116 G117 Q118 L122 N123 I134 V137 | Y116-I120 WeakPolarHBondContact O-CG1 3.18Å; Y116-I120 PolarHBondContact O-N 3.33Å; G117-I120 PolarHBondContact O-N 3.1Å; Q118-I120 PolarHBondContact O-N 2.85Å; I120-L122 VanDerWaalsContact C-N 3.31Å; I120-L122 PolarHBondContact O-N 3.38Å; I120-N123 PolarHBondContact O-N 3.23Å; I120-N123 VanDerWaalsContact O-N 3.16Å; I120-I134 HydrophobicContact CD1-CG1 4.23Å; I120-V137 HydrophobicContact CD1-CG2 3.89Å; I120-V137 HydrophobicContact CG1-CG2 3.72Å |
| 121 | Q | 84.7 | Confident | 80.9 | Confident | 164 Ų | 164 | 55 Ų | 55 | 77% | 0.766 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.3 | -36.8 | 179.9 | -69.4 | -179.2 | -5.4 | 0 | 0 | 113 | G117 Q118 N123 | G117-Q121 PolarHBondContact O-N 3.37Å; Q118-Q121 PolarHBondContact O-N 2.94Å; Q121-N123 VanDerWaalsContact C-N 3.3Å |
| 122 | L | 83.6 | Confident | 80.5 | Confident | 68 Ų | 68 | 59 Ų | 59 | 36% | 0.356 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 5 | 179.7 | -67.1 | 173.1 | 0 | 0 | 0 | 113.7 | L68 L83 Q118 I120 I124 | L68-L122 HydrophobicContact CD1-CB 4.42Å; L68-L122 HydrophobicContact CD1-CD1 4.44Å; L83-L122 HydrophobicContact CD1-CD1 3.77Å; L83-L122 HydrophobicContact CD2-CD1 3.63Å; L83-L122 HydrophobicContact CG-CD1 4.37Å; Q118-L122 WeakPolarHBondContact O-CB 3.38Å; Q118-L122 WeakPolarHBondContact O-CG 3.47Å; Q118-L122 PolarHBondContact O-N 2.98Å; I120-L122 VanDerWaalsContact C-N 3.31Å; I120-L122 PolarHBondContact O-N 3.38Å; L122-I124 HydrophobicContact CB-CD1 4.47Å; L122-I124 HydrophobicContact CB-CG1 4.01Å; L122-I124 PolarHBondContact O-N 3.06Å |
| 123 | N | 81.8 | Confident | 80.5 | Confident | 87 Ų | 87 | 59.3 Ų | 59.3 | 47% | 0.465 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 45.9 | -178 | -165.7 | 22 | 0 | 0 | 0 | 112.4 | A119 I120 Q121 F125 S126 | A119-N123 PolarHBondContact O-N 2.68Å; I120-N123 PolarHBondContact O-N 3.23Å; I120-N123 VanDerWaalsContact O-N 3.16Å; Q121-N123 VanDerWaalsContact C-N 3.3Å; N123-F125 VanDerWaalsContact C-N 3.26Å; N123-F125 PolarHBondContact O-N 2.87Å; N123-S126 WeakPolarHBondContact OD1-CA 3.23Å |
| 124 | I | 83.6 | Confident | 80.5 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -34.7 | -177.9 | -67.1 | -176.7 | 0 | 0 | 0 | 111 | L68 L83 A119 L122 I223 R225 F226 | L68-I124 HydrophobicContact CD1-CD1 4.34Å; L68-I124 HydrophobicContact CD1-CG1 4.05Å; L83-I124 HydrophobicContact CD1-CD1 3.75Å; A119-I124 VanDerWaalsContact CA-CD1 3.46Å; A119-I124 HydrophobicContact CB-CB 4.18Å; A119-I124 HydrophobicContact CB-CD1 3.61Å; A119-I124 HydrophobicContact CB-CG1 4.18Å; A119-I124 PolarHBondContact O-N 3.05Å; L122-I124 HydrophobicContact CB-CD1 4.47Å; L122-I124 HydrophobicContact CB-CG1 4.01Å; L122-I124 PolarHBondContact O-N 3.06Å; I124-I223 WeakPolarHBondContact CG2-O 3.29Å; I124-R225 PolarHBondContact O-N 2.83Å; I124-F226 HydrophobicContact CD1-CB 3.8Å; I124-F226 HydrophobicContact CD1-CG 4.47Å; I124-F226 HydrophobicContact CG1-CB 4.45Å; I124-F226 HydrophobicContact CG2-CB 4.01Å |
| 125 | F | 78.4 | Confident | 80.4 | Confident | 12 Ų | 12 | 59 Ų | 59 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 45.3 | -178.2 | -58.7 | -78.6 | 0 | 0 | 0 | 112.4 | A119 N123 R127 N128 L131 V137 C156 I223 | A119-F125 HydrophobicContact CB-CD2 4.46Å; A119-F125 HydrophobicContact CB-CE2 3.93Å; N123-F125 VanDerWaalsContact C-N 3.26Å; N123-F125 PolarHBondContact O-N 2.87Å; F125-R127 PolarHBondContact O-N 2.82Å; F125-N128 CarbonylContact O-C 3.55Å; F125-N128 PolarHBondContact O-N 3.01Å; F125-L131 HydrophobicContact CB-CD1 3.97Å; F125-L131 HydrophobicContact CD1-CD1 4.36Å; F125-L131 HydrophobicContact CG-CD1 4.09Å; F125-V137 HydrophobicContact CD2-CG1 3.89Å; F125-V137 HydrophobicContact CE2-CG1 3.28Å; F125-V137 HydrophobicContact CZ-CG1 3.82Å; F125-C156 VanDerWaalsContact CD1-O 3.24Å; F125-C156 WeakPolarHBondContact CD1-O 3.19Å; F125-C156 WeakPolarHBondContact CE1-O 2.96Å; F125-I223 HydrophobicContact CE1-CG2 3.88Å; F125-I223 HydrophobicContact CZ-CG2 3.62Å |
| 126 | S | 74.3 | Confident | 80.1 | Confident | 27 Ų | 27 | 62.1 Ų | 62.1 | 19% | 0.189 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -23.1 | -172.1 | 64.3 | 0 | 0 | 0 | 0 | 115.3 | N123 | N123-S126 WeakPolarHBondContact OD1-CA 3.23Š|
| 127 | R | 70.8 | Confident | 79.8 | Confident | 116 Ų | 116 | 61.8 Ų | 61.8 | 44% | 0.438 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -10.2 | 179.4 | -64.4 | -174.8 | -175.1 | -155.6 | 9.6 | 114.7 | F125 P129 N153 T154 C156 | F125-R127 PolarHBondContact O-N 2.82Å; R127-P129 WeakPolarHBondContact O-CD 3.31Å; R127-N153 VanDerWaalsContact CZ-O 3.3Å; R127-N153 PolarHBondContact NH1-O 2.89Å; R127-N153 PolarHBondContact NH2-O 3.46Å; R127-T154 VanDerWaalsContact NH1-CB 3.31Å; R127-T154 VanDerWaalsContact NH1-CG2 3.34Å; R127-C156 WeakPolarHBondContact CB-SG 3.48Å |
| 128 | N | 72 | Confident | 79.6 | Confident | 54 Ų | 54 | 62.8 Ų | 62.8 | 29% | 0.289 | 35% | 0.349 | S | S | . | . | trans | -124 | 75.7 | 174.8 | -83.7 | -36.8 | 0 | 0 | 0 | 109.6 | F125 L130 L131 F140 C156 | F125-N128 CarbonylContact O-C 3.55Å; F125-N128 PolarHBondContact O-N 3.01Å; N128-L130 PolarHBondContact O-N 3.26Å; N128-L131 HydrophobicContact CB-CD1 3.76Å; N128-L131 HydrophobicContact CB-CG 4.05Å; N128-L131 PolarHBondContact O-N 3.37Å; N128-L131 VanDerWaalsContact O-N 3.13Å; N128-F140 WeakPolarHBondContact ND2-CZ 3.23Å; N128-C156 WeakPolarHBondContact ND2-CB 2.97Å | ||
| 129 | P | 67.7 | Low | 79.3 | Confident | 114 Ų | 114 | 63.1 Ų | 63.1 | 74% | 0.74 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -10 | -176 | 25.8 | -34.6 | 0 | 0 | 0 | 114.1 | R127 L131 | R127-P129 WeakPolarHBondContact O-CD 3.31Å; P129-L131 VanDerWaalsContact C-N 3.3Å |
| 130 | L | 72.7 | Confident | 79 | Confident | 155 Ų | 155 | 64.8 Ų | 64.8 | 81% | 0.812 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -15.2 | 176.7 | -60.5 | 176.1 | 0 | 0 | 0 | 113.3 | N128 S132 | N128-L130 PolarHBondContact O-N 3.26Å; L130-S132 PolarHBondContact O-N 3.16Å |
| 131 | L | 76 | Confident | 78.6 | Confident | 31 Ų | 31 | 62 Ų | 62 | 16% | 0.162 | 35% | 0.351 | C | S | . | . | trans | -79.3 | 88.8 | 179.3 | -63.2 | 175 | 0 | 0 | 0 | 110.3 | F125 N128 P129 D136 V137 F140 | F125-L131 HydrophobicContact CB-CD1 3.97Å; F125-L131 HydrophobicContact CD1-CD1 4.36Å; F125-L131 HydrophobicContact CG-CD1 4.09Å; N128-L131 HydrophobicContact CB-CD1 3.76Å; N128-L131 HydrophobicContact CB-CG 4.05Å; N128-L131 PolarHBondContact O-N 3.37Å; N128-L131 VanDerWaalsContact O-N 3.13Å; P129-L131 VanDerWaalsContact C-N 3.3Å; L131-D136 HydrophobicContact CD2-CB 4.15Å; L131-V137 HydrophobicContact CB-CG2 3.98Å; L131-F140 HydrophobicContact CD1-CB 4.36Å; L131-F140 HydrophobicContact CD1-CD1 3.6Å; L131-F140 HydrophobicContact CD1-CD2 4.44Å; L131-F140 HydrophobicContact CD1-CE1 3.96Å; L131-F140 HydrophobicContact CD1-CG 3.87Å; L131-F140 HydrophobicContact CD2-CB 3.64Å; L131-F140 HydrophobicContact CD2-CD1 4.39Å; L131-F140 HydrophobicContact CD2-CD2 4.21Å; L131-F140 HydrophobicContact CD2-CG 3.82Å; L131-F140 HydrophobicContact CG-CG 4.49Å | ||
| 132 | S | 76.9 | Confident | 78 | Confident | 91 Ų | 91 | 56.6 Ų | 56.6 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | trans | -111.5 | -18.6 | -170.1 | 62.8 | 0 | 0 | 0 | 0 | 114.8 | L130 | L130-S132 PolarHBondContact O-N 3.16Š| ||
| 133 | S | 83.9 | Confident | 77.2 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 34% | 0.336 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -115.4 | 155.5 | 176.2 | 80.7 | 0 | 0 | 0 | 0 | 112.6 | G135 D136 V137 | S133-G135 PolarHBondContact O-N 3.27Å; S133-D136 WeakPolarHBondContact CB-OD2 3.36Å; S133-D136 PolarHBondContact N-OD2 3.38Å; S133-D136 PolarHBondContact O-N 2.99Å; S133-D136 VanDerWaalsContact O-N 3.13Å; S133-D136 PolarHBondContact OG-N 3.24Å; S133-D136 VanDerWaalsContact OG-N 3.13Å; S133-D136 PolarHBondContact OG-OD1 2.03Å; S133-D136 PolarHBondContact OG-OD2 3.46Å; S133-V137 WeakPolarHBondContact O-CG2 3.31Å; S133-V137 PolarHBondContact O-N 2.92Å; S133-V137 VanDerWaalsContact O-N 3.08Å |
| 134 | I | 84.3 | Confident | 76.3 | Confident | 84 Ų | 84 | 56 Ų | 56 | 43% | 0.431 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -54.9 | -38.1 | 175 | -68.1 | 174.1 | 0 | 0 | 0 | 110.8 | I120 S138 | I120-I134 HydrophobicContact CD1-CG1 4.23Å; I134-S138 VanDerWaalsContact O-CB 3.27Å; I134-S138 WeakPolarHBondContact O-CB 3.44Å; I134-S138 PolarHBondContact O-N 2.72Å |
| 135 | G | 82.9 | Confident | 75.2 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 46% | 0.464 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S133 S138 S139 | S133-G135 PolarHBondContact O-N 3.27Å; G135-S138 PolarHBondContact O-N 2.95Å; G135-S139 VanDerWaalsContact O-CB 3.26Å; G135-S139 WeakPolarHBondContact O-CB 3.46Å; G135-S139 PolarHBondContact O-N 3.33Å; G135-S139 PolarHBondContact O-OG 3.48Å; G135-S139 VanDerWaalsContact O-OG 3.08Å |
| 136 | D | 82.4 | Confident | 74.4 | Confident | 64 Ų | 64 | 59.4 Ų | 59.4 | 34% | 0.342 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 177.9 | -58.3 | -35.9 | 0 | 0 | 0 | 111 | L131 S133 S139 F140 | L131-D136 HydrophobicContact CD2-CB 4.15Å; S133-D136 WeakPolarHBondContact CB-OD2 3.36Å; S133-D136 PolarHBondContact N-OD2 3.38Å; S133-D136 PolarHBondContact O-N 2.99Å; S133-D136 VanDerWaalsContact O-N 3.13Å; S133-D136 PolarHBondContact OG-N 3.24Å; S133-D136 VanDerWaalsContact OG-N 3.13Å; S133-D136 PolarHBondContact OG-OD1 2.03Å; S133-D136 PolarHBondContact OG-OD2 3.46Å; D136-S139 PolarHBondContact O-N 3.01Å; D136-S139 PolarHBondContact O-OG 3.14Å; D136-F140 WeakPolarHBondContact O-CB 2.98Å; D136-F140 PolarHBondContact O-N 2.96Å |
| 137 | V | 81 | Confident | 73.4 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 178.4 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | Y116 I120 F125 L131 S133 S139 F140 C141 | Y116-V137 HydrophobicContact CD1-CB 4.27Å; Y116-V137 HydrophobicContact CD1-CG1 3.58Å; Y116-V137 HydrophobicContact CE1-CG1 4.28Å; Y116-V137 HydrophobicContact CG-CG1 4.44Å; I120-V137 HydrophobicContact CD1-CG2 3.89Å; I120-V137 HydrophobicContact CG1-CG2 3.72Å; F125-V137 HydrophobicContact CD2-CG1 3.89Å; F125-V137 HydrophobicContact CE2-CG1 3.28Å; F125-V137 HydrophobicContact CZ-CG1 3.82Å; L131-V137 HydrophobicContact CB-CG2 3.98Å; S133-V137 WeakPolarHBondContact O-CG2 3.31Å; S133-V137 PolarHBondContact O-N 2.92Å; S133-V137 VanDerWaalsContact O-N 3.08Å; V137-S139 PolarHBondContact O-N 3.5Å; V137-F140 PolarHBondContact O-N 3.48Å; V137-C141 WeakPolarHBondContact O-CB 3.38Å; V137-C141 PolarHBondContact O-N 3.17Å; V137-C141 PolarHBondContact O-SG 2.85Å; V137-C141 VanDerWaalsContact O-SG 3.41Å |
| 138 | S | 81.3 | Confident | 72.5 | Confident | 39 Ų | 39 | 66.6 Ų | 66.6 | 27% | 0.273 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.5 | -42.4 | 179.9 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | I134 G135 S142 | I134-S138 VanDerWaalsContact O-CB 3.27Å; I134-S138 WeakPolarHBondContact O-CB 3.44Å; I134-S138 PolarHBondContact O-N 2.72Å; G135-S138 PolarHBondContact O-N 2.95Å; S138-S142 WeakPolarHBondContact O-CB 3.07Å; S138-S142 PolarHBondContact O-N 3.41Å; S138-S142 VanDerWaalsContact O-N 3.14Å; S138-S142 PolarHBondContact O-OG 3.37Å |
| 139 | S | 79.7 | Confident | 71.5 | Confident | 65 Ų | 65 | 71.4 Ų | 71.4 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 175.9 | 70.4 | 0 | 0 | 0 | 0 | 111.9 | G135 D136 V137 C141 S142 A143 | G135-S139 VanDerWaalsContact O-CB 3.26Å; G135-S139 WeakPolarHBondContact O-CB 3.46Å; G135-S139 PolarHBondContact O-N 3.33Å; G135-S139 PolarHBondContact O-OG 3.48Å; G135-S139 VanDerWaalsContact O-OG 3.08Å; D136-S139 PolarHBondContact O-N 3.01Å; D136-S139 PolarHBondContact O-OG 3.14Å; V137-S139 PolarHBondContact O-N 3.5Å; S139-C141 PolarHBondContact O-N 3.31Å; S139-S142 PolarHBondContact O-N 3.42Å; S139-S142 VanDerWaalsContact O-N 3.13Å; S139-A143 WeakPolarHBondContact O-CB 3.49Å; S139-A143 PolarHBondContact O-N 3.19Å |
| 140 | F | 78.2 | Confident | 70.6 | Confident | 36 Ų | 36 | 74 Ų | 74 | 16% | 0.158 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 178.3 | 175.2 | -98.2 | 0 | 0 | 0 | 111.9 | N128 L131 D136 V137 S142 T144 C156 I157 | N128-F140 WeakPolarHBondContact ND2-CZ 3.23Å; L131-F140 HydrophobicContact CD1-CB 4.36Å; L131-F140 HydrophobicContact CD1-CD1 3.6Å; L131-F140 HydrophobicContact CD1-CD2 4.44Å; L131-F140 HydrophobicContact CD1-CE1 3.96Å; L131-F140 HydrophobicContact CD1-CG 3.87Å; L131-F140 HydrophobicContact CD2-CB 3.64Å; L131-F140 HydrophobicContact CD2-CD1 4.39Å; L131-F140 HydrophobicContact CD2-CD2 4.21Å; L131-F140 HydrophobicContact CD2-CG 3.82Å; L131-F140 HydrophobicContact CG-CG 4.49Å; D136-F140 WeakPolarHBondContact O-CB 2.98Å; D136-F140 PolarHBondContact O-N 2.96Å; V137-F140 PolarHBondContact O-N 3.48Å; F140-S142 VanDerWaalsContact C-N 3.28Å; F140-S142 PolarHBondContact O-N 2.05Å; F140-T144 HydrophobicContact CE2-CG2 4.38Å; F140-T144 VanDerWaalsContact O-CB 3.31Å; F140-T144 WeakPolarHBondContact O-CB 3.49Å; F140-T144 PolarHBondContact O-N 2.85Å; F140-T144 PolarHBondContact O-OG1 3.13Å; F140-C156 HydrophobicContact CE1-CB 4.38Å; F140-C156 VanDerWaalsContact CE1-O 3.26Å; F140-C156 WeakPolarHBondContact CE1-O 3.33Å; F140-C156 HydrophobicContact CZ-CB 4.08Å; F140-I157 HydrophobicContact CE1-CB 4.43Å; F140-I157 HydrophobicContact CE1-CG1 3.75Å; F140-I157 HydrophobicContact CE2-CG1 4.32Å; F140-I157 HydrophobicContact CZ-CD1 4.42Å; F140-I157 HydrophobicContact CZ-CG1 3.49Å; F140-I157 VanDerWaalsContact CZ-CG1 3.49Å |
| 141 | C | 74.6 | Confident | 69.6 | Low | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.007 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.3 | -27.1 | 174.3 | -78.7 | 0 | 0 | 0 | 0 | 114 | Y116 V137 S139 W158 L198 | Y116-C141 HydrophobicContact CE1-CB 4.18Å; V137-C141 WeakPolarHBondContact O-CB 3.38Å; V137-C141 PolarHBondContact O-N 3.17Å; V137-C141 PolarHBondContact O-SG 2.85Å; V137-C141 VanDerWaalsContact O-SG 3.41Å; S139-C141 PolarHBondContact O-N 3.31Å; C141-W158 PolarHBondContact O-NE1 3.49Å; C141-L198 HydrophobicContact CB-CD1 3.83Å |
| 142 | S | 71.4 | Confident | 68.4 | Low | 51 Ų | 51 | 71 Ų | 71 | 36% | 0.357 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -97.9 | -28.5 | -176.6 | -52 | 0 | 0 | 0 | 0 | 113.8 | S138 S139 F140 | S138-S142 WeakPolarHBondContact O-CB 3.07Å; S138-S142 PolarHBondContact O-N 3.41Å; S138-S142 VanDerWaalsContact O-N 3.14Å; S138-S142 PolarHBondContact O-OG 3.37Å; S139-S142 PolarHBondContact O-N 3.42Å; S139-S142 VanDerWaalsContact O-N 3.13Å; F140-S142 VanDerWaalsContact C-N 3.28Å; F140-S142 PolarHBondContact O-N 2.05Å |
| 143 | A | 67.3 | Low | 67.3 | Low | 87 Ų | 87 | 69.2 Ų | 69.2 | 72% | 0.719 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -99.1 | -19.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S139 | S139-A143 WeakPolarHBondContact O-CB 3.49Å; S139-A143 PolarHBondContact O-N 3.19Å |
| 144 | T | 62.5 | Low | 65.7 | Low | 54 Ų | 54 | 69.8 Ų | 69.8 | 33% | 0.331 | 39% | 0.394 | S | S | . | . | trans | -108.4 | 121.7 | -169.3 | -30.7 | 0 | 0 | 0 | 0 | 110.1 | F140 I157 | F140-T144 HydrophobicContact CE2-CG2 4.38Å; F140-T144 VanDerWaalsContact O-CB 3.31Å; F140-T144 WeakPolarHBondContact O-CB 3.49Å; F140-T144 PolarHBondContact O-N 2.85Å; F140-T144 PolarHBondContact O-OG1 3.13Å; T144-I157 HydrophobicContact CG2-CD1 3.54Å; T144-I157 HydrophobicContact CG2-CG1 4.35Å; T144-I157 WeakPolarHBondContact O-CG2 3.42Å | ||
| 145 | S | 61.3 | Low | 64.2 | Low | 69 Ų | 69 | 66.5 Ų | 66.5 | 48% | 0.483 | 38% | 0.378 | S | S | . | . | trans | -92.6 | 139.4 | 167.7 | 58.3 | 0 | 0 | 0 | 0 | 110.3 | K147 | S145-K147 PolarHBondContact O-N 2.94Å; S145-K147 VanDerWaalsContact O-N 3.17Å | ||
| 146 | C | 60.5 | Low | 62.9 | Low | 17 Ų | 17 | 65.5 Ų | 65.5 | 12% | 0.115 | 36% | 0.364 | C | S | . | . | trans | -64.3 | 116.2 | 175.5 | -157 | 0 | 0 | 0 | 0 | 110.7 | I148 C155 I157 H159 | C146-I148 VanDerWaalsContact C-N 3.31Å; C146-I148 PolarHBondContact O-N 2.95Å; C146-C155 HydrophobicContact CB-CB 4.45Å; C146-C155 WeakPolarHBondContact CB-SG 3.48Å; C146-C155 WeakPolarHBondContact SG-CB 3.25Å; C146-C155 CovalentContact SG-SG 2.05Å; C146-C155 PolarHBondContact SG-SG 3Å; C146-I157 HydrophobicContact CB-CD1 4.39Å; C146-H159 PolarHBondContact SG-NE2 2.84Å; C146-H159 VanDerWaalsContact SG-NE2 3.41Å | ||
| 147 | K | 54.4 | Low | 62.1 | Low | 191 Ų | 191 | 63.2 Ų | 63.2 | 83% | 0.83 | 35% | 0.351 | S | S | * | . | trans | -79.5 | -7.6 | -179 | -71.8 | -171.6 | 176.7 | -177.2 | 0 | 114.1 | S145 | S145-K147 PolarHBondContact O-N 2.94Å; S145-K147 VanDerWaalsContact O-N 3.17Å | ||
| 148 | I | 52.2 | Low | 61.8 | Low | 103 Ų | 103 | 63.6 Ų | 63.6 | 53% | 0.528 | 35% | 0.353 | S | S | . | . | trans | -118.2 | 101.9 | -173 | -58.1 | 173.6 | 0 | 0 | 0 | 108.9 | C146 Q150 | C146-I148 VanDerWaalsContact C-N 3.31Å; C146-I148 PolarHBondContact O-N 2.95Å; I148-Q150 PolarHBondContact O-N 3.41Å; I148-Q150 VanDerWaalsContact O-N 3.16Å | ||
| 149 | F | 50.8 | Low | 61.3 | Low | 154 Ų | 154 | 62.3 Ų | 62.3 | 68% | 0.675 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 3.7 | 179.5 | -82.7 | -83.1 | 0 | 0 | 0 | 114.9 | ||
| 150 | Q | 48.9 | Very low | 61.1 | Low | 170 Ų | 170 | 59.2 Ų | 59.2 | 79% | 0.794 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122 | -2 | -161.9 | -71.9 | -174 | -9.5 | 0 | 0 | 116.5 | I148 | I148-Q150 PolarHBondContact O-N 3.41Å; I148-Q150 VanDerWaalsContact O-N 3.16Å |
| 151 | V | 51.2 | Low | 60.9 | Low | 63 Ų | 63 | 57.8 Ų | 57.8 | 38% | 0.382 | 32% | 0.315 | S | S | . | . | trans | -144.3 | 92.1 | 177.1 | -163.4 | 0 | 0 | 0 | 0 | 111 | N153 T154 | V151-N153 HydrophobicContact CG1-CB 4.26Å; V151-N153 PolarHBondContact O-N 2.84Å; V151-N153 VanDerWaalsContact O-N 3.12Å; V151-T154 HydrophobicContact CB-CG2 4.2Å; V151-T154 WeakPolarHBondContact CB-OG1 3.17Å; V151-T154 HydrophobicContact CG1-CG2 3.55Å; V151-T154 PolarHBondContact O-N 2.84Å; V151-T154 VanDerWaalsContact O-N 3.12Å; V151-T154 PolarHBondContact O-OG1 2.84Å | ||
| 152 | E | 51.6 | Low | 60.9 | Low | 60 Ų | 60 | 57.9 Ų | 57.9 | 28% | 0.28 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -51.3 | -35.2 | 173.4 | -76.3 | -166.8 | 172.5 | 0 | 0 | 111.3 | T154 S161 R220 | E152-T154 PolarHBondContact O-N 2.83Å; E152-S161 PolarHBondContact OE1-OG 3.03Å; E152-R220 IonicContact OE2-NH1 3.21Å; E152-R220 PolarHBondContact OE2-NH1 3.01Å |
| 153 | N | 53.4 | Low | 61 | Low | 52 Ų | 52 | 56.2 Ų | 56.2 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -78.7 | 7.6 | -174.9 | -61.6 | -5.1 | 0 | 0 | 0 | 114 | F73 R127 V151 N182 | F73-N153 HydrophobicContact CD2-CB 3.62Å; F73-N153 VanDerWaalsContact CE2-C 3.44Å; F73-N153 HydrophobicContact CE2-CB 3.6Å; F73-N153 WeakPolarHBondContact CE2-O 2.87Å; F73-N153 HydrophobicContact CG-CB 4.41Å; F73-N153 HydrophobicContact CZ-CB 4.3Å; F73-N153 WeakPolarHBondContact CZ-O 3.2Å; R127-N153 VanDerWaalsContact CZ-O 3.3Å; R127-N153 PolarHBondContact NH1-O 2.89Å; R127-N153 PolarHBondContact NH2-O 3.46Å; V151-N153 HydrophobicContact CG1-CB 4.26Å; V151-N153 PolarHBondContact O-N 2.84Å; V151-N153 VanDerWaalsContact O-N 3.12Å; N153-N182 PolarHBondContact ND2-OD1 3.35Å |
| 154 | T | 49.2 | Very low | 61.4 | Low | 60 Ų | 60 | 53.1 Ų | 53.1 | 37% | 0.368 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -132.2 | -5.8 | 177.2 | 66.5 | 0 | 0 | 0 | 0 | 115.4 | R127 V151 E152 | R127-T154 VanDerWaalsContact NH1-CB 3.31Å; R127-T154 VanDerWaalsContact NH1-CG2 3.34Å; V151-T154 HydrophobicContact CB-CG2 4.2Å; V151-T154 WeakPolarHBondContact CB-OG1 3.17Å; V151-T154 HydrophobicContact CG1-CG2 3.55Å; V151-T154 PolarHBondContact O-N 2.84Å; V151-T154 VanDerWaalsContact O-N 3.12Å; V151-T154 PolarHBondContact O-OG1 2.84Å; E152-T154 PolarHBondContact O-N 2.83Å |
| 155 | C | 52.5 | Low | 61.7 | Low | 15 Ų | 15 | 52.1 Ų | 52.1 | 10% | 0.101 | 27% | 0.266 | C | S | . | . | trans | -82.3 | 129.7 | -178.4 | -163 | 0 | 0 | 0 | 0 | 111.8 | C146 I157 H159 | C146-C155 HydrophobicContact CB-CB 4.45Å; C146-C155 WeakPolarHBondContact CB-SG 3.48Å; C146-C155 WeakPolarHBondContact SG-CB 3.25Å; C146-C155 CovalentContact SG-SG 2.05Å; C146-C155 PolarHBondContact SG-SG 3Å; C155-I157 VanDerWaalsContact C-N 3.34Å; C155-H159 WeakPolarHBondContact CB-CE1 3.07Å; C155-H159 VanDerWaalsContact CB-NE2 3.28Å; C155-H159 WeakPolarHBondContact CB-NE2 3.01Å; C155-H159 PolarHBondContact SG-NE2 3.11Å; C155-H159 VanDerWaalsContact SG-NE2 3.42Å | ||
| 156 | C | 56.1 | Low | 62.2 | Low | 25 Ų | 25 | 54.9 Ų | 54.9 | 17% | 0.169 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -88.5 | 0.2 | -175.3 | -56.6 | 0 | 0 | 0 | 0 | 113.4 | F125 R127 N128 F140 | F125-C156 VanDerWaalsContact CD1-O 3.24Å; F125-C156 WeakPolarHBondContact CD1-O 3.19Å; F125-C156 WeakPolarHBondContact CE1-O 2.96Å; R127-C156 WeakPolarHBondContact CB-SG 3.48Å; N128-C156 WeakPolarHBondContact ND2-CB 2.97Å; F140-C156 HydrophobicContact CE1-CB 4.38Å; F140-C156 VanDerWaalsContact CE1-O 3.26Å; F140-C156 WeakPolarHBondContact CE1-O 3.33Å; F140-C156 HydrophobicContact CZ-CB 4.08Å |
| 157 | I | 66.7 | Low | 62.5 | Low | 15 Ų | 15 | 56 Ų | 56 | 8% | 0.077 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -101.9 | -86.7 | -163.9 | -62.8 | 163.1 | 0 | 0 | 0 | 110.1 | F140 T144 C146 C155 | F140-I157 HydrophobicContact CE1-CB 4.43Å; F140-I157 HydrophobicContact CE1-CG1 3.75Å; F140-I157 HydrophobicContact CE2-CG1 4.32Å; F140-I157 HydrophobicContact CZ-CD1 4.42Å; F140-I157 HydrophobicContact CZ-CG1 3.49Å; F140-I157 VanDerWaalsContact CZ-CG1 3.49Å; T144-I157 HydrophobicContact CG2-CD1 3.54Å; T144-I157 HydrophobicContact CG2-CG1 4.35Å; T144-I157 WeakPolarHBondContact O-CG2 3.42Å; C146-I157 HydrophobicContact CB-CD1 4.39Å; C155-I157 VanDerWaalsContact C-N 3.34Å |
| 158 | W | 73.3 | Confident | 62.7 | Low | 9 Ų | 9 | 48.9 Ų | 48.9 | 3% | 0.034 | 24% | 0.244 | C | C | . | . | trans | -174.5 | 154.9 | 168.3 | 48.8 | -92 | 0 | 0 | 0 | 109.6 | C141 I160 G195 L198 W202 L222 I223 | C141-W158 PolarHBondContact O-NE1 3.49Å; W158-I160 HydrophobicContact CE3-CD1 4.45Å; W158-I160 HydrophobicContact CE3-CG1 4.1Å; W158-I160 HydrophobicContact CZ3-CD1 4Å; W158-I160 HydrophobicContact CZ3-CG1 4Å; W158-G195 WeakPolarHBondContact CH2-O 3.24Å; W158-G195 WeakPolarHBondContact CZ2-O 3.42Å; W158-L198 HydrophobicContact CB-CD1 4.38Å; W158-L198 HydrophobicContact CD2-CD1 4.43Å; W158-L198 HydrophobicContact CD2-CD2 4.49Å; W158-L198 HydrophobicContact CD2-CG 4.07Å; W158-L198 HydrophobicContact CG-CD1 3.82Å; W158-L198 HydrophobicContact CG-CD2 4.28Å; W158-L198 HydrophobicContact CG-CG 3.92Å; W158-W202 AromaticContact CH2-CH2 3.45Å; W158-W202 HydrophobicContact CH2-CH2 3.45Å; W158-W202 VanDerWaalsContact CH2-CH2 3.45Å; W158-W202 AromaticContact CH2-CZ2 3.38Å; W158-W202 HydrophobicContact CH2-CZ2 3.38Å; W158-W202 AromaticContact CZ3-CH2 3.44Å; W158-W202 HydrophobicContact CZ3-CH2 3.44Å; W158-W202 VanDerWaalsContact CZ3-CH2 3.44Å; W158-W202 AromaticContact CZ3-CZ2 3.44Å; W158-W202 HydrophobicContact CZ3-CZ2 3.44Å; W158-W202 VanDerWaalsContact CZ3-CZ2 3.44Å; W158-L222 CarbonylContact C-O 3.5Å; W158-L222 WeakPolarHBondContact CA-O 3.42Å; W158-L222 VanDerWaalsContact CB-O 3.23Å; W158-L222 WeakPolarHBondContact CB-O 3.19Å; W158-I223 HydrophobicContact CB-CB 4.35Å; W158-I223 HydrophobicContact CB-CG1 3.88Å; W158-I223 HydrophobicContact CB-CG2 4.42Å | ||
| 159 | H | 71.1 | Confident | 62.7 | Low | 11 Ų | 11 | 47.3 Ų | 47.3 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 143.7 | 178.9 | -64.8 | 146.5 | 0 | 0 | 0 | 111.3 | C146 C155 I221 L222 | C146-H159 PolarHBondContact SG-NE2 2.84Å; C146-H159 VanDerWaalsContact SG-NE2 3.41Å; C155-H159 WeakPolarHBondContact CB-CE1 3.07Å; C155-H159 VanDerWaalsContact CB-NE2 3.28Å; C155-H159 WeakPolarHBondContact CB-NE2 3.01Å; C155-H159 PolarHBondContact SG-NE2 3.11Å; C155-H159 VanDerWaalsContact SG-NE2 3.42Å; H159-I221 CarbonylContact O-C 3.55Å; H159-I221 WeakPolarHBondContact O-CA 3.28Å; H159-L222 HydrophobicContact CB-CB 4.39Å; H159-L222 PolarHBondContact N-O 3.49Å; H159-L222 PolarHBondContact O-N 3.12Å |
| 160 | I | 74.9 | Confident | 62.5 | Low | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.8 | 173.4 | -56.7 | -173 | 0 | 0 | 0 | 109.8 | F107 W158 Y193 W202 L204 V219 R220 I221 | F107-I160 HydrophobicContact CE2-CD1 4.48Å; F107-I160 HydrophobicContact CZ-CD1 4.48Å; F107-I160 HydrophobicContact CZ-CG2 4.07Å; W158-I160 HydrophobicContact CE3-CD1 4.45Å; W158-I160 HydrophobicContact CE3-CG1 4.1Å; W158-I160 HydrophobicContact CZ3-CD1 4Å; W158-I160 HydrophobicContact CZ3-CG1 4Å; I160-Y193 PolarHBondContact N-O 3.25Å; I160-Y193 PolarHBondContact O-N 2.9Å; I160-Y193 VanDerWaalsContact O-N 3.1Å; I160-W202 HydrophobicContact CD1-CD2 3.52Å; I160-W202 HydrophobicContact CD1-CE3 3.84Å; I160-W202 HydrophobicContact CD1-CG 4.19Å; I160-W202 HydrophobicContact CD1-CH2 3.61Å; I160-W202 HydrophobicContact CD1-CZ2 3.3Å; I160-W202 HydrophobicContact CD1-CZ3 3.88Å; I160-W202 HydrophobicContact CG1-CH2 4.5Å; I160-W202 HydrophobicContact CG1-CZ2 4.46Å; I160-L204 HydrophobicContact CG2-CD1 4.35Å; I160-V219 HydrophobicContact CG2-CG1 4.4Å; I160-R220 VanDerWaalsContact CA-O 3.31Å; I160-R220 WeakPolarHBondContact CA-O 3.16Å; I160-I221 HydrophobicContact CD1-CD1 4.41Å; I160-I221 HydrophobicContact CD1-CG1 4.45Å; I160-I221 HydrophobicContact CG1-CG1 4.17Å |
| 161 | S | 73.9 | Confident | 61.9 | Low | 5 Ų | 5 | 43.5 Ų | 43.5 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.8 | 179.8 | -44.5 | 0 | 0 | 0 | 0 | 109.6 | E152 R220 | E152-S161 PolarHBondContact OE1-OG 3.03Å; S161-R220 PolarHBondContact N-O 3.35Å; S161-R220 PolarHBondContact O-N 3.49Å |
| 162 | L | 76.2 | Confident | 61.2 | Low | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 106.7 | -179.6 | 178.5 | 71.1 | 0 | 0 | 0 | 112.6 | I105 I190 L204 V206 L217 F218 V219 | I105-L162 HydrophobicContact CD1-CD1 3.43Å; I105-L162 VanDerWaalsContact CD1-CD1 3.43Å; I105-L162 HydrophobicContact CD1-CD2 4.1Å; I105-L162 HydrophobicContact CD1-CG 4.42Å; L162-I190 HydrophobicContact CB-CG2 4.07Å; L162-I190 WeakPolarHBondContact O-CB 3.39Å; L162-I190 VanDerWaalsContact O-CD1 3.31Å; L162-I190 WeakPolarHBondContact O-CD1 3.31Å; L162-I190 WeakPolarHBondContact O-CG1 3.46Å; L162-I190 WeakPolarHBondContact O-CG2 2.98Å; L162-L204 HydrophobicContact CB-CD1 4.47Å; L162-L204 HydrophobicContact CD2-CB 4.38Å; L162-V206 HydrophobicContact CD2-CG2 4.15Å; L162-L217 HydrophobicContact CD1-CD1 3.81Å; L162-L217 HydrophobicContact CD1-CG 4.38Å; L162-L217 HydrophobicContact CG-CD1 4.39Å; L162-F218 CarbonylContact C-O 3.59Å; L162-F218 WeakPolarHBondContact CA-O 3.44Å; L162-V219 HydrophobicContact CD1-CG2 3.87Å |
| 163 | F | 73.7 | Confident | 60.3 | Low | 16 Ų | 16 | 52.6 Ų | 52.6 | 7% | 0.07 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 154.5 | -179.1 | 25.9 | -63.6 | 0 | 0 | 0 | 112.9 | F181 I190 L217 F218 R220 I229 | F163-F181 HydrophobicContact CD2-CE1 4.4Å; F163-F181 HydrophobicContact CE1-CE1 4.42Å; F163-F181 AromaticContact CE2-CE1 3.51Å; F163-F181 HydrophobicContact CE2-CE1 3.51Å; F163-F181 HydrophobicContact CE2-CZ 4.13Å; F163-F181 HydrophobicContact CZ-CD1 4.4Å; F163-F181 AromaticContact CZ-CE1 3.53Å; F163-F181 HydrophobicContact CZ-CE1 3.53Å; F163-F181 HydrophobicContact CZ-CZ 4.1Å; F163-I190 HydrophobicContact CB-CD1 3.36Å; F163-I190 HydrophobicContact CB-CG1 4.19Å; F163-I190 HydrophobicContact CD1-CD1 3.69Å; F163-I190 HydrophobicContact CG-CD1 3.95Å; F163-L217 CarbonylContact O-C 3.6Å; F163-L217 WeakPolarHBondContact O-CA 3.22Å; F163-F218 HydrophobicContact CD1-CB 4.1Å; F163-F218 HydrophobicContact CD2-CB 3.21Å; F163-F218 HydrophobicContact CD2-CD1 4.18Å; F163-F218 AromaticContact CD2-CD2 3.27Å; F163-F218 HydrophobicContact CD2-CD2 3.27Å; F163-F218 HydrophobicContact CD2-CE2 4.12Å; F163-F218 AromaticContact CD2-CG 3.32Å; F163-F218 HydrophobicContact CD2-CG 3.32Å; F163-F218 HydrophobicContact CE1-CB 3.99Å; F163-F218 HydrophobicContact CE2-CB 3.03Å; F163-F218 AromaticContact CE2-CD1 3.61Å; F163-F218 HydrophobicContact CE2-CD1 3.61Å; F163-F218 AromaticContact CE2-CD2 3.6Å; F163-F218 HydrophobicContact CE2-CD2 3.6Å; F163-F218 HydrophobicContact CE2-CE1 4.42Å; F163-F218 HydrophobicContact CE2-CE2 4.38Å; F163-F218 AromaticContact CE2-CG 3.15Å; F163-F218 HydrophobicContact CE2-CG 3.15Å; F163-F218 HydrophobicContact CG-CB 3.72Å; F163-F218 HydrophobicContact CG-CD2 4.22Å; F163-F218 HydrophobicContact CG-CG 4.26Å; F163-F218 HydrophobicContact CZ-CB 3.46Å; F163-F218 VanDerWaalsContact CZ-CB 3.46Å; F163-F218 HydrophobicContact CZ-CD1 4.41Å; F163-F218 HydrophobicContact CZ-CG 4.03Å; F163-F218 PolarHBondContact N-O 2.99Å; F163-F218 PolarHBondContact O-N 3.36Å; F163-R220 HydrophobicContact CE1-CB 3.4Å; F163-R220 VanDerWaalsContact CE1-CB 3.4Å; F163-R220 HydrophobicContact CE1-CG 4.33Å; F163-R220 HydrophobicContact CZ-CB 3.74Å; F163-R220 HydrophobicContact CZ-CG 4.48Å; F163-I229 HydrophobicContact CE2-CD1 4.17Å; F163-I229 HydrophobicContact CZ-CD1 3.66Å; F163-I229 HydrophobicContact CZ-CG1 4.43Å |
| 164 | M | 75.1 | Confident | 59.5 | Low | 23 Ų | 23 | 55.3 Ų | 55.3 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124.4 | 165.4 | -70.6 | -170.4 | 69.9 | 0 | 0 | 110.2 | W97 V206 V209 Y215 L216 L217 I236 | W97-M164 HydrophobicContact CZ2-CE 3.93Å; W97-M164 HydrophobicContact CZ2-SD 4.23Å; M164-V206 HydrophobicContact CG-CG1 4.31Å; M164-V206 HydrophobicContact SD-CG1 3.34Å; M164-V206 WeakPolarHBondContact SD-CG1 3.44Å; M164-V209 HydrophobicContact CE-CG2 4.01Å; M164-V209 HydrophobicContact SD-CG2 3.75Å; M164-Y215 HydrophobicContact CB-CD1 4.34Å; M164-Y215 HydrophobicContact CE-CD1 4.11Å; M164-Y215 HydrophobicContact CE-CG 3.83Å; M164-L216 CarbonylContact C-O 3.56Å; M164-L216 WeakPolarHBondContact CA-O 3.18Å; M164-L217 HydrophobicContact CG-CB 4.4Å; M164-L217 HydrophobicContact CG-CD1 3.36Å; M164-L217 HydrophobicContact CG-CG 4.49Å; M164-L217 HydrophobicContact SD-CD1 3.95Å; M164-I236 HydrophobicContact CE-CD1 3.92Å |
| 165 | N | 69.2 | Low | 59.2 | Low | 33 Ų | 33 | 57 Ų | 57 | 18% | 0.176 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.9 | 172.5 | -71.6 | -32.5 | 0 | 0 | 0 | 110.2 | L167 Y215 L216 F218 | N165-L167 PolarHBondContact O-N 2.82Å; N165-Y215 CarbonylContact O-C 3.59Å; N165-Y215 VanDerWaalsContact O-CA 3.25Å; N165-Y215 WeakPolarHBondContact O-CA 3.33Å; N165-L216 PolarHBondContact N-O 3.34Å; N165-L216 PolarHBondContact O-N 2.97Å; N165-F218 HydrophobicContact CB-CE2 4.06Å |
| 166 | R | 71.8 | Confident | 58.8 | Low | 127 Ų | 127 | 57.9 Ų | 57.9 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 127.3 | 171.5 | -164.6 | 176.1 | -179 | -161.2 | -5.3 | 108.9 | P212 I214 Y215 | R166-P212 VanDerWaalsContact CZ-O 3.31Å; R166-P212 PolarHBondContact NE-O 3.28Å; R166-P212 PolarHBondContact NH2-O 3.38Å; R166-I214 CarbonylContact C-O 3.55Å; R166-Y215 HydrophobicContact CB-CD1 3.84Å; R166-Y215 HydrophobicContact CB-CE1 3.47Å; R166-Y215 VanDerWaalsContact CB-CE1 3.47Å; R166-Y215 HydrophobicContact CG-CD1 4.34Å; R166-Y215 HydrophobicContact CG-CE1 3.85Å; R166-Y215 HydrophobicContact CG-CE2 4.14Å |
| 167 | L | 67 | Low | 58.3 | Low | 41 Ų | 41 | 59.2 Ų | 59.2 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -71 | 127.5 | 169.3 | -82.4 | 156.8 | 0 | 0 | 0 | 108.4 | N165 L176 I214 L216 | N165-L167 PolarHBondContact O-N 2.82Å; L167-L176 HydrophobicContact CD2-CD1 3.92Å; L167-I214 HydrophobicContact CB-CB 4.3Å; L167-I214 HydrophobicContact CB-CG2 4.5Å; L167-I214 HydrophobicContact CD1-CB 4.25Å; L167-I214 HydrophobicContact CD1-CG2 3.54Å; L167-I214 PolarHBondContact N-O 2.89Å; L167-L216 HydrophobicContact CD1-CD1 4.36Å; L167-L216 HydrophobicContact CD1-CD2 4.05Å; L167-L216 HydrophobicContact CD1-CG 3.84Å; L167-L216 HydrophobicContact CD2-CD1 4.12Å; L167-L216 HydrophobicContact CD2-CG 4.45Å; L167-L216 HydrophobicContact CG-CD1 4.24Å; L167-L216 HydrophobicContact CG-CG 4.04Å |
| 168 | P | 56.8 | Low | 57.3 | Low | 41 Ų | 41 | 58.8 Ų | 58.8 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 143.2 | 175.5 | 20.2 | -27.5 | 0 | 0 | 0 | 110.6 | E172 L176 | P168-E172 HydrophobicContact CB-CB 3.59Å; P168-E172 VanDerWaalsContact CB-O 3.31Å; P168-E172 WeakPolarHBondContact CB-O 3.45Å; P168-L176 HydrophobicContact CG-CD1 4.48Å |
| 169 | S | 52.8 | Low | 55.9 | Low | 70 Ų | 70 | 59.4 Ų | 59.4 | 49% | 0.49 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 157.7 | 169.4 | 51.2 | 0 | 0 | 0 | 0 | 109.7 | S171 E172 | S169-S171 PolarHBondContact O-N 3.06Å; S169-S171 PolarHBondContact OG-OG 3.21Å; S169-E172 PolarHBondContact O-N 2.91Å |
| 170 | S | 46.3 | Very low | 54.6 | Low | 142 Ų | 142 | 61 Ų | 61 | 99% | 0.993 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -2.5 | -176.6 | 52.4 | 0 | 0 | 0 | 0 | 116.2 | ||
| 171 | S | 37.6 | Very low | 53.4 | Low | 101 Ų | 101 | 63 Ų | 63 | 71% | 0.706 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | -6.4 | 173.9 | 57.5 | 0 | 0 | 0 | 0 | 114.8 | S169 | S169-S171 PolarHBondContact O-N 3.06Å; S169-S171 PolarHBondContact OG-OG 3.21Å |
| 172 | E | 36.1 | Very low | 51.9 | Low | 108 Ų | 108 | 66 Ų | 66 | 51% | 0.505 | 37% | 0.365 | S | S | . | . | trans | -114.3 | 95.7 | -178.8 | -76.8 | -177.6 | 167.4 | 0 | 0 | 110.1 | P168 S169 I174 | P168-E172 HydrophobicContact CB-CB 3.59Å; P168-E172 VanDerWaalsContact CB-O 3.31Å; P168-E172 WeakPolarHBondContact CB-O 3.45Å; S169-E172 PolarHBondContact O-N 2.91Å; E172-I174 HydrophobicContact CB-CD1 4.5Å; E172-I174 HydrophobicContact CB-CG1 4.46Å; E172-I174 PolarHBondContact O-N 3.49Å | ||
| 173 | Q | 33.3 | Very low | 50.1 | Low | 206 Ų | 206 | 71.8 Ų | 71.8 | 96% | 0.963 | 40% | 0.395 | S | S | * | . | trans | -72.6 | 80.9 | 166.6 | -84.5 | -175.5 | -23.7 | 0 | 0 | 109.3 | ||||
| 174 | I | 36.6 | Very low | 48.7 | Very low | 109 Ų | 109 | 74.7 Ų | 74.7 | 56% | 0.559 | 41% | 0.408 | S | S | * | . | trans | -105.5 | 116.6 | 166.4 | -59.5 | 174.8 | 0 | 0 | 0 | 106.6 | E172 L176 | E172-I174 HydrophobicContact CB-CD1 4.5Å; E172-I174 HydrophobicContact CB-CG1 4.46Å; E172-I174 PolarHBondContact O-N 3.49Å; I174-L176 PolarHBondContact O-N 3.12Å | ||
| 175 | S | 41 | Very low | 46.8 | Very low | 96 Ų | 96 | 79.8 Ų | 79.8 | 67% | 0.671 | 44% | 0.436 | S | S | * | . | trans | -57.1 | 114.1 | 172.7 | 55.5 | 0 | 0 | 0 | 0 | 108.2 | D177 | S175-D177 PolarHBondContact O-N 3.16Š| ||
| 176 | L | 44.7 | Very low | 45.1 | Very low | 33 Ų | 33 | 85.5 Ų | 85.5 | 17% | 0.173 | 47% | 0.467 | C | S | . | . | trans | -64.7 | 87.7 | 168.4 | -103.8 | 118.2 | 0 | 0 | 0 | 107.6 | S38 Y42 L167 P168 I174 V178 L216 | S38-L176 VanDerWaalsContact CB-O 3.24Å; S38-L176 WeakPolarHBondContact CB-O 3.42Å; Y42-L176 HydrophobicContact CD2-CD1 4.42Å; L167-L176 HydrophobicContact CD2-CD1 3.92Å; P168-L176 HydrophobicContact CG-CD1 4.48Å; I174-L176 PolarHBondContact O-N 3.12Å; L176-V178 HydrophobicContact CB-CG2 3.78Å; L176-V178 HydrophobicContact CD2-CG2 3.49Å; L176-V178 VanDerWaalsContact CD2-CG2 3.49Å; L176-V178 HydrophobicContact CG-CG2 4.23Å; L176-V178 PolarHBondContact O-N 3.12Å; L176-L216 HydrophobicContact CD2-CD1 4.15Å | ||
| 177 | D | 45.8 | Very low | 43.4 | Very low | 54 Ų | 54 | 87.7 Ų | 87.7 | 29% | 0.289 | 48% | 0.48 | S | S | . | . | trans | -72.1 | 69.8 | 165.4 | -105.8 | -31.8 | 0 | 0 | 0 | 107.4 | S34 S175 C179 D180 | S34-D177 PolarHBondContact OG-OD1 3.32Å; S175-D177 PolarHBondContact O-N 3.16Å; D177-C179 PolarHBondContact O-N 3.12Å; D177-C179 VanDerWaalsContact O-N 3.12Å; D177-D180 HydrophobicContact CB-CB 4.04Å | ||
| 178 | V | 46.6 | Very low | 42.1 | Very low | 6 Ų | 6 | 89.9 Ų | 89.9 | 4% | 0.036 | 50% | 0.498 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -9.5 | 179.1 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | I41 L176 F181 F218 | I41-V178 HydrophobicContact CB-CG2 4.49Å; I41-V178 HydrophobicContact CD1-CB 3.8Å; I41-V178 HydrophobicContact CD1-CG1 3.26Å; I41-V178 HydrophobicContact CD1-CG2 4.4Å; I41-V178 HydrophobicContact CG1-CG1 4.49Å; I41-V178 HydrophobicContact CG2-CG1 4.22Å; I41-V178 HydrophobicContact CG2-CG2 4Å; L176-V178 HydrophobicContact CB-CG2 3.78Å; L176-V178 HydrophobicContact CD2-CG2 3.49Å; L176-V178 VanDerWaalsContact CD2-CG2 3.49Å; L176-V178 HydrophobicContact CG-CG2 4.23Å; L176-V178 PolarHBondContact O-N 3.12Å; V178-F181 WeakPolarHBondContact O-CE2 3.24Å; V178-F181 WeakPolarHBondContact O-CZ 3.03Å; V178-F218 HydrophobicContact CG1-CE1 4.07Å; V178-F218 HydrophobicContact CG1-CZ 4.38Å |
| 179 | C | 43.6 | Very low | 41.4 | Very low | 22 Ų | 22 | 93.6 Ų | 93.6 | 15% | 0.149 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 0.7 | -171.5 | -42.9 | 0 | 0 | 0 | 0 | 112.8 | C37 D177 F181 | C37-C179 HydrophobicContact CB-CB 3.84Å; C37-C179 WeakPolarHBondContact CB-SG 3.48Å; C37-C179 WeakPolarHBondContact SG-CB 3.23Å; C37-C179 CovalentContact SG-SG 2.03Å; C37-C179 PolarHBondContact SG-SG 3.25Å; D177-C179 PolarHBondContact O-N 3.12Å; D177-C179 VanDerWaalsContact O-N 3.12Å; C179-F181 PolarHBondContact O-N 2.82Å |
| 180 | D | 44.5 | Very low | 41.4 | Very low | 44 Ų | 44 | 91.9 Ų | 91.9 | 24% | 0.235 | 50% | 0.499 | C | S | . | . | trans | -99.9 | 66.9 | 172.8 | -166 | 12.8 | 0 | 0 | 0 | 111.6 | D177 N182 N183 F184 | D177-D180 HydrophobicContact CB-CB 4.04Å; D180-N182 PolarHBondContact O-N 2.82Å; D180-N183 PolarHBondContact O-N 3.46Å; D180-N183 PolarHBondContact OD2-ND2 3.17Å; D180-F184 WeakPolarHBondContact O-CD2 3.43Å; D180-F184 VanDerWaalsContact O-CE2 3.31Å; D180-F184 WeakPolarHBondContact O-CE2 3.22Å | ||
| 181 | F | 49.1 | Very low | 41.6 | Very low | 42 Ų | 42 | 87.7 Ų | 87.7 | 18% | 0.184 | 47% | 0.469 | C | S | . | . | G | 310 helix | trans | -67.7 | -17.3 | -176.5 | -70.3 | -73.8 | 0 | 0 | 0 | 114.2 | W67 F163 V178 C179 N183 I229 | W67-F181 AromaticContact CH2-CE2 3.76Å; W67-F181 HydrophobicContact CH2-CE2 3.76Å; W67-F181 HydrophobicContact CH2-CZ 4.3Å; W67-F181 HydrophobicContact CZ2-CD2 4.1Å; W67-F181 AromaticContact CZ2-CE2 3.59Å; W67-F181 HydrophobicContact CZ2-CE2 3.59Å; F163-F181 HydrophobicContact CD2-CE1 4.4Å; F163-F181 HydrophobicContact CE1-CE1 4.42Å; F163-F181 AromaticContact CE2-CE1 3.51Å; F163-F181 HydrophobicContact CE2-CE1 3.51Å; F163-F181 HydrophobicContact CE2-CZ 4.13Å; F163-F181 HydrophobicContact CZ-CD1 4.4Å; F163-F181 AromaticContact CZ-CE1 3.53Å; F163-F181 HydrophobicContact CZ-CE1 3.53Å; F163-F181 HydrophobicContact CZ-CZ 4.1Å; V178-F181 WeakPolarHBondContact O-CE2 3.24Å; V178-F181 WeakPolarHBondContact O-CZ 3.03Å; C179-F181 PolarHBondContact O-N 2.82Å; F181-N183 VanDerWaalsContact C-N 3.28Å; F181-N183 PolarHBondContact O-N 3.4Å; F181-I229 HydrophobicContact CE1-CD1 4.25Å; F181-I229 HydrophobicContact CE2-CD1 4.17Å; F181-I229 HydrophobicContact CZ-CD1 3.49Å; F181-I229 VanDerWaalsContact CZ-CD1 3.49Å |
| 182 | N | 41.3 | Very low | 42.4 | Very low | 69 Ų | 69 | 85.4 Ų | 85.4 | 37% | 0.369 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -75.2 | -14.1 | 179.7 | -75.9 | -32.7 | 0 | 0 | 0 | 113.3 | N153 D180 | N153-N182 PolarHBondContact ND2-OD1 3.35Å; D180-N182 PolarHBondContact O-N 2.82Å |
| 183 | N | 40 | Very low | 43.4 | Very low | 124 Ų | 124 | 83.5 Ų | 83.5 | 66% | 0.663 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -103.6 | 4.2 | -176.7 | -99.7 | -35.1 | 0 | 0 | 0 | 115.1 | D180 F181 N185 | D180-N183 PolarHBondContact O-N 3.46Å; D180-N183 PolarHBondContact OD2-ND2 3.17Å; F181-N183 VanDerWaalsContact C-N 3.28Å; F181-N183 PolarHBondContact O-N 3.4Å; N183-N185 PolarHBondContact O-N 3.38Å |
| 184 | F | 42.7 | Very low | 44.5 | Very low | 78 Ų | 78 | 75.9 Ų | 75.9 | 34% | 0.342 | 41% | 0.409 | S | S | . | . | trans | -81.4 | 13.4 | -177.3 | -80.5 | -88.4 | 0 | 0 | 0 | 115.1 | D180 N186 | D180-F184 WeakPolarHBondContact O-CD2 3.43Å; D180-F184 VanDerWaalsContact O-CE2 3.31Å; D180-F184 WeakPolarHBondContact O-CE2 3.22Å; F184-N186 PolarHBondContact O-N 3.26Å | ||
| 185 | N | 35.5 | Very low | 45.5 | Very low | 129 Ų | 129 | 71.8 Ų | 71.8 | 69% | 0.69 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 6.9 | 179.5 | -82.7 | -23.3 | 0 | 0 | 0 | 115.8 | N183 | N183-N185 PolarHBondContact O-N 3.38Š|
| 186 | N | 33.2 | Very low | 46.2 | Very low | 154 Ų | 154 | 72.1 Ų | 72.1 | 82% | 0.824 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.2 | -2.3 | -172.2 | -95 | -24 | 0 | 0 | 0 | 117.5 | F184 | F184-N186 PolarHBondContact O-N 3.26Š|
| 187 | K | 37.1 | Very low | 47.2 | Very low | 173 Ų | 173 | 72 Ų | 72 | 75% | 0.752 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -149.1 | 118.4 | 173.4 | -65.6 | -173.6 | 176.7 | 171.5 | 0 | 110.8 | ||
| 188 | S | 39.9 | Very low | 48.3 | Very low | 86 Ų | 86 | 69.6 Ų | 69.6 | 60% | 0.601 | 39% | 0.385 | S | S | * | . | trans | 57.7 | 72.9 | 171.1 | 46.1 | 0 | 0 | 0 | 0 | 117.3 | I190 | S188-I190 WeakPolarHBondContact O-CG1 3.31Å; S188-I190 PolarHBondContact O-N 2.89Å | ||
| 189 | I | 41.8 | Very low | 49.8 | Very low | 119 Ų | 119 | 72.9 Ų | 72.9 | 61% | 0.61 | 40% | 0.402 | S | S | * | . | trans | -90 | 87.5 | 172.7 | -55.6 | 175.1 | 0 | 0 | 0 | 110.7 | ||||
| 190 | I | 53.2 | Low | 51.3 | Low | 34 Ų | 34 | 73.3 Ų | 73.3 | 17% | 0.174 | 41% | 0.406 | C | S | . | . | 21.9 | 123.4 | 119.3 | -39 | 173.9 | 0 | 0 | 0 | 118.7 | L162 F163 S188 V192 | L162-I190 HydrophobicContact CB-CG2 4.07Å; L162-I190 WeakPolarHBondContact O-CB 3.39Å; L162-I190 VanDerWaalsContact O-CD1 3.31Å; L162-I190 WeakPolarHBondContact O-CD1 3.31Å; L162-I190 WeakPolarHBondContact O-CG1 3.46Å; L162-I190 WeakPolarHBondContact O-CG2 2.98Å; F163-I190 HydrophobicContact CB-CD1 3.36Å; F163-I190 HydrophobicContact CB-CG1 4.19Å; F163-I190 HydrophobicContact CD1-CD1 3.69Å; F163-I190 HydrophobicContact CG-CD1 3.95Å; S188-I190 WeakPolarHBondContact O-CG1 3.31Å; S188-I190 PolarHBondContact O-N 2.89Å; I190-V192 PolarHBondContact O-N 3Å | |||
| 191 | P | 49.4 | Very low | 53.1 | Low | 55 Ų | 55 | 75.7 Ų | 75.7 | 36% | 0.357 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -66 | 122 | 159.4 | 23.9 | -28.8 | 0 | 0 | 0 | 111.3 | Y193 | P191-Y193 HydrophobicContact CB-CE1 4.26Å; P191-Y193 HydrophobicContact CB-CE2 3.92Å; P191-Y193 HydrophobicContact CG-CE1 4.42Å; P191-Y193 HydrophobicContact CG-CE2 3.56Å; P191-Y193 VanDerWaalsContact CG-CZ 3.47Å; P191-Y193 WeakPolarHBondContact CG-OH 3.38Å; P191-Y193 WeakPolarHBondContact O-CD2 3.31Å; P191-Y193 VanDerWaalsContact O-CE2 3.32Å; P191-Y193 WeakPolarHBondContact O-CE2 3.49Å |
| 192 | V | 54.1 | Low | 54.6 | Low | 53 Ų | 53 | 74.8 Ų | 74.8 | 32% | 0.321 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 120.3 | 168.6 | 177.1 | 0 | 0 | 0 | 0 | 108 | I190 | I190-V192 PolarHBondContact O-N 3Š|
| 193 | Y | 58.4 | Low | 56.6 | Low | 67 Ų | 67 | 75 Ų | 75 | 26% | 0.263 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -101.1 | 129.4 | 178.5 | -61.1 | -82.7 | 0 | 0 | 0 | 110 | I160 P191 L204 | I160-Y193 PolarHBondContact N-O 3.25Å; I160-Y193 PolarHBondContact O-N 2.9Å; I160-Y193 VanDerWaalsContact O-N 3.1Å; P191-Y193 HydrophobicContact CB-CE1 4.26Å; P191-Y193 HydrophobicContact CB-CE2 3.92Å; P191-Y193 HydrophobicContact CG-CE1 4.42Å; P191-Y193 HydrophobicContact CG-CE2 3.56Å; P191-Y193 VanDerWaalsContact CG-CZ 3.47Å; P191-Y193 WeakPolarHBondContact CG-OH 3.38Å; P191-Y193 WeakPolarHBondContact O-CD2 3.31Å; P191-Y193 VanDerWaalsContact O-CE2 3.32Å; P191-Y193 WeakPolarHBondContact O-CE2 3.49Å; Y193-L204 HydrophobicContact CD1-CD2 3.96Å; Y193-L204 HydrophobicContact CD2-CD1 3.82Å; Y193-L204 HydrophobicContact CD2-CD2 3.54Å; Y193-L204 HydrophobicContact CD2-CG 4.27Å; Y193-L204 HydrophobicContact CE1-CD2 4.04Å; Y193-L204 HydrophobicContact CE2-CB 4.37Å; Y193-L204 HydrophobicContact CE2-CD1 3.94Å; Y193-L204 HydrophobicContact CE2-CD2 3.6Å; Y193-L204 HydrophobicContact CE2-CG 4.18Å; Y193-L204 HydrophobicContact CG-CD2 3.71Å |
| 194 | S | 55.7 | Low | 58.4 | Low | 47 Ų | 47 | 69.4 Ų | 69.4 | 33% | 0.329 | 38% | 0.382 | S | S | . | . | trans | -110.7 | 142.8 | 165.3 | 60.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 195 | G | 58 | Low | 60.2 | Low | 23 Ų | 23 | 69 Ų | 69 | 24% | 0.237 | 38% | 0.383 | C | S | . | . | trans | -140.8 | -177.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | W158 | W158-G195 WeakPolarHBondContact CH2-O 3.24Å; W158-G195 WeakPolarHBondContact CZ2-O 3.42Å | ||
| 196 | S | 55.2 | Low | 62.2 | Low | 103 Ų | 103 | 63 Ų | 63 | 72% | 0.72 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -97.7 | 1.6 | -171 | 55.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 197 | S | 66.6 | Low | 63.8 | Low | 31 Ų | 31 | 58.8 Ų | 58.8 | 22% | 0.217 | 33% | 0.332 | C | S | . | . | trans | -161.1 | 140 | 177.5 | -178.8 | 0 | 0 | 0 | 0 | 111.5 | N199 S200 | S197-N199 VanDerWaalsContact C-N 3.32Å; S197-N199 PolarHBondContact OG-N 3.1Å; S197-N199 VanDerWaalsContact OG-N 3.11Å; S197-S200 PolarHBondContact O-OG 2.89Å | ||
| 198 | L | 69.4 | Low | 65.3 | Low | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -72.3 | -28.4 | 168.4 | -91.9 | 146 | 0 | 0 | 0 | 112 | F85 A109 C141 W158 S200 I221 I223 | F85-L198 HydrophobicContact CE2-CD2 3.75Å; F85-L198 HydrophobicContact CZ-CD2 4.05Å; A109-L198 CarbonylContact C-O 3.6Å; A109-L198 WeakPolarHBondContact CB-O 3.49Å; C141-L198 HydrophobicContact CB-CD1 3.83Å; W158-L198 HydrophobicContact CB-CD1 4.38Å; W158-L198 HydrophobicContact CD2-CD1 4.43Å; W158-L198 HydrophobicContact CD2-CD2 4.49Å; W158-L198 HydrophobicContact CD2-CG 4.07Å; W158-L198 HydrophobicContact CG-CD1 3.82Å; W158-L198 HydrophobicContact CG-CD2 4.28Å; W158-L198 HydrophobicContact CG-CG 3.92Å; L198-S200 PolarHBondContact O-N 3.23Å; L198-I221 HydrophobicContact CD2-CG2 4.21Å; L198-I223 HydrophobicContact CD1-CD1 4.23Å; L198-I223 HydrophobicContact CD2-CD1 3.51Å; L198-I223 HydrophobicContact CD2-CG1 4.15Å |
| 199 | N | 76.3 | Confident | 66.8 | Low | 74 Ų | 74 | 50.9 Ų | 50.9 | 40% | 0.396 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -94.7 | 65.1 | 179.4 | -70.5 | -27.9 | 0 | 0 | 0 | 110 | A109 T110 A111 S197 | A109-N199 WeakPolarHBondContact O-CA 3.45Å; T110-N199 WeakPolarHBondContact CA-OD1 3Å; A111-N199 PolarHBondContact N-OD1 2.73Å; S197-N199 VanDerWaalsContact C-N 3.32Å; S197-N199 PolarHBondContact OG-N 3.1Å; S197-N199 VanDerWaalsContact OG-N 3.11Å |
| 200 | S | 75.6 | Confident | 68.1 | Low | 32 Ų | 32 | 50.5 Ų | 50.5 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -141.8 | 157.4 | -178.8 | 63.5 | 0 | 0 | 0 | 0 | 112.8 | S197 L198 W202 | S197-S200 PolarHBondContact O-OG 2.89Å; L198-S200 PolarHBondContact O-N 3.23Å; S200-W202 PolarHBondContact OG-NE1 2.69Å |
| 201 | E | 83.5 | Confident | 69.1 | Low | 94 Ų | 94 | 53.6 Ų | 53.6 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 128.3 | 165.9 | 169.8 | 166.8 | 179.8 | 0 | 0 | 109.9 | I90 R106 F108 | I90-E201 HydrophobicContact CD1-CB 3.93Å; I90-E201 HydrophobicContact CD1-CG 3.47Å; I90-E201 VanDerWaalsContact CD1-CG 3.47Å; R106-E201 VanDerWaalsContact CD-OE1 3.29Å; R106-E201 WeakPolarHBondContact CD-OE1 3.43Å; R106-E201 IonicContact CZ-OE1 3.58Å; R106-E201 IonicContact NE-OE1 2.67Å; R106-E201 IonicContact NH1-OE1 2.77Å; R106-E201 PolarHBondContact NH1-OE1 3.27Å; F108-E201 HydrophobicContact CD2-CB 4Å; F108-E201 HydrophobicContact CE2-CB 4.22Å |
| 202 | W | 79.6 | Confident | 70.5 | Confident | 22 Ų | 22 | 53.6 Ų | 53.6 | 8% | 0.083 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 136.8 | 177.5 | -70 | 88.8 | 0 | 0 | 0 | 110.4 | R106 F107 W158 I160 S200 L204 | R106-W202 WeakPolarHBondContact CA-O 3.3Å; F107-W202 HydrophobicContact CD1-CB 4.01Å; F107-W202 HydrophobicContact CD2-CB 3.95Å; F107-W202 HydrophobicContact CD2-CG 4.26Å; F107-W202 HydrophobicContact CE1-CB 3.57Å; F107-W202 HydrophobicContact CE1-CG 4.39Å; F107-W202 HydrophobicContact CE2-CB 3.5Å; F107-W202 VanDerWaalsContact CE2-CB 3.5Å; F107-W202 AromaticContact CE2-CD1 3.59Å; F107-W202 HydrophobicContact CE2-CD2 4.48Å; F107-W202 AromaticContact CE2-CG 3.55Å; F107-W202 HydrophobicContact CE2-CG 3.55Å; F107-W202 HydrophobicContact CG-CB 4.18Å; F107-W202 HydrophobicContact CZ-CB 3.28Å; F107-W202 HydrophobicContact CZ-CD2 4.36Å; F107-W202 AromaticContact CZ-CG 3.62Å; F107-W202 HydrophobicContact CZ-CG 3.62Å; F107-W202 PolarHBondContact N-O 2.87Å; F107-W202 VanDerWaalsContact N-O 3.16Å; F107-W202 PolarHBondContact O-N 2.91Å; W158-W202 AromaticContact CH2-CH2 3.45Å; W158-W202 HydrophobicContact CH2-CH2 3.45Å; W158-W202 VanDerWaalsContact CH2-CH2 3.45Å; W158-W202 AromaticContact CH2-CZ2 3.38Å; W158-W202 HydrophobicContact CH2-CZ2 3.38Å; W158-W202 AromaticContact CZ3-CH2 3.44Å; W158-W202 HydrophobicContact CZ3-CH2 3.44Å; W158-W202 VanDerWaalsContact CZ3-CH2 3.44Å; W158-W202 AromaticContact CZ3-CZ2 3.44Å; W158-W202 HydrophobicContact CZ3-CZ2 3.44Å; W158-W202 VanDerWaalsContact CZ3-CZ2 3.44Å; I160-W202 HydrophobicContact CD1-CD2 3.52Å; I160-W202 HydrophobicContact CD1-CE3 3.84Å; I160-W202 HydrophobicContact CD1-CG 4.19Å; I160-W202 HydrophobicContact CD1-CH2 3.61Å; I160-W202 HydrophobicContact CD1-CZ2 3.3Å; I160-W202 HydrophobicContact CD1-CZ3 3.88Å; I160-W202 HydrophobicContact CG1-CH2 4.5Å; I160-W202 HydrophobicContact CG1-CZ2 4.46Å; S200-W202 PolarHBondContact OG-NE1 2.69Å; W202-L204 HydrophobicContact CE3-CD2 4.43Å |
| 203 | N | 83.6 | Confident | 71.7 | Confident | 74 Ų | 74 | 52 Ų | 52 | 40% | 0.396 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 92.3 | -173.9 | -173.4 | -8.5 | 0 | 0 | 0 | 109.8 | R104 R106 | R104-N203 WeakPolarHBondContact CD-OD1 3.25Å; R104-N203 WeakPolarHBondContact CG-OD1 3.26Å; R104-N203 VanDerWaalsContact NH1-CG 3.28Å; R104-N203 PolarHBondContact NH1-ND2 3.38Å; R104-N203 PolarHBondContact NH1-OD1 3.37Å; R106-N203 HydrophobicContact CG-CB 4.38Å |
| 204 | L | 78.5 | Confident | 72.7 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 148.5 | -170.3 | -54.9 | -175.9 | 0 | 0 | 0 | 111.7 | R104 I105 F107 I160 L162 Y193 W202 | R104-L204 CarbonylContact C-O 3.48Å; R104-L204 WeakPolarHBondContact CA-O 3.41Å; I105-L204 HydrophobicContact CD1-CB 4.39Å; I105-L204 HydrophobicContact CG1-CB 4.03Å; I105-L204 PolarHBondContact N-O 3.15Å; I105-L204 PolarHBondContact O-N 3.47Å; F107-L204 HydrophobicContact CE1-CD1 3.75Å; F107-L204 HydrophobicContact CE1-CG 4.12Å; F107-L204 HydrophobicContact CZ-CD1 4.08Å; I160-L204 HydrophobicContact CG2-CD1 4.35Å; L162-L204 HydrophobicContact CB-CD1 4.47Å; L162-L204 HydrophobicContact CD2-CB 4.38Å; Y193-L204 HydrophobicContact CD1-CD2 3.96Å; Y193-L204 HydrophobicContact CD2-CD1 3.82Å; Y193-L204 HydrophobicContact CD2-CD2 3.54Å; Y193-L204 HydrophobicContact CD2-CG 4.27Å; Y193-L204 HydrophobicContact CE1-CD2 4.04Å; Y193-L204 HydrophobicContact CE2-CB 4.37Å; Y193-L204 HydrophobicContact CE2-CD1 3.94Å; Y193-L204 HydrophobicContact CE2-CD2 3.6Å; Y193-L204 HydrophobicContact CE2-CG 4.18Å; Y193-L204 HydrophobicContact CG-CD2 3.71Å; W202-L204 HydrophobicContact CE3-CD2 4.43Å |
| 205 | L | 79.7 | Confident | 73.8 | Confident | 71 Ų | 71 | 50.2 Ų | 50.2 | 37% | 0.372 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.3 | 171.4 | -88.5 | 147.7 | 0 | 0 | 0 | 109.1 | M102 | M102-L205 HydrophobicContact CB-CD2 4Å; M102-L205 HydrophobicContact SD-CD2 4.2Å |
| 206 | V | 77.3 | Confident | 74.8 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 128 | 173.9 | -177 | 0 | 0 | 0 | 0 | 108.6 | W97 I103 I105 L162 M164 L217 | W97-V206 HydrophobicContact CZ2-CG1 4.35Å; I103-V206 PolarHBondContact O-N 2.02Å; I105-V206 HydrophobicContact CD1-CG2 4.11Å; I105-V206 HydrophobicContact CG1-CG2 4.19Å; I105-V206 HydrophobicContact CG2-CG2 3.7Å; L162-V206 HydrophobicContact CD2-CG2 4.15Å; M164-V206 HydrophobicContact CG-CG1 4.31Å; M164-V206 HydrophobicContact SD-CG1 3.34Å; M164-V206 WeakPolarHBondContact SD-CG1 3.44Å; V206-L217 HydrophobicContact CG1-CD1 4.17Å; V206-L217 HydrophobicContact CG2-CD1 4.28Å |
| 207 | P | 67.3 | Low | 76 | Confident | 64 Ų | 64 | 44.3 Ų | 44.3 | 42% | 0.416 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -57.1 | 149.3 | 178.2 | -22.2 | 31.2 | 0 | 0 | 0 | 112.5 | V209 | P207-V209 PolarHBondContact O-N 3.39Š|
| 208 | N | 68.9 | Low | 76.7 | Confident | 71 Ų | 71 | 42.9 Ų | 42.9 | 38% | 0.38 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -60.8 | 131.7 | 174.7 | -87 | -1.1 | 0 | 0 | 0 | 111.1 | D100 M102 | D100-N208 PolarHBondContact O-ND2 3.26Å; D100-N208 PolarHBondContact O-OD1 3.4Å; M102-N208 WeakPolarHBondContact CG-OD1 3.32Å; M102-N208 PolarHBondContact N-OD1 3.15Å |
| 209 | V | 71.3 | Confident | 77.3 | Confident | 23 Ų | 23 | 42.7 Ų | 42.7 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -102.1 | 130.1 | 176 | -173.6 | 0 | 0 | 0 | 0 | 109.1 | I99 M164 P207 Y215 I236 | I99-V209 WeakPolarHBondContact CG1-O 3.36Å; M164-V209 HydrophobicContact CE-CG2 4.01Å; M164-V209 HydrophobicContact SD-CG2 3.75Å; P207-V209 PolarHBondContact O-N 3.39Å; V209-Y215 HydrophobicContact CG1-CD1 4.49Å; V209-Y215 HydrophobicContact CG1-CE1 3.67Å; V209-Y215 HydrophobicContact CG1-CE2 3.95Å; V209-Y215 VanDerWaalsContact CG1-OH 3.23Å; V209-Y215 WeakPolarHBondContact CG1-OH 3.17Å; V209-I236 HydrophobicContact CB-CD1 3.45Å; V209-I236 VanDerWaalsContact CB-CD1 3.45Å; V209-I236 HydrophobicContact CG1-CD1 3.56Å; V209-I236 HydrophobicContact CG2-CD1 3.55Å |
| 210 | T | 69.2 | Low | 77.5 | Confident | 111 Ų | 111 | 39.7 Ų | 39.7 | 68% | 0.681 | 22% | 0.22 | S | C | * | . | trans | -99.3 | 3.8 | -171.1 | 56.2 | 0 | 0 | 0 | 0 | 114.2 | I99 | I99-T210 WeakPolarHBondContact CD1-O 3.33Š| ||
| 211 | Q | 72.7 | Confident | 77.8 | Confident | 99 Ų | 99 | 38.2 Ų | 38.2 | 46% | 0.463 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -135.3 | 133.3 | -179.6 | -65 | -174.7 | -4.8 | 0 | 0 | 111 | Y215 | Q211-Y215 WeakPolarHBondContact O-CE2 3.22Å; Q211-Y215 PolarHBondContact O-OH 2.87Å |
| 212 | P | 78.9 | Confident | 77.6 | Confident | 55 Ų | 55 | 33.9 Ų | 33.9 | 36% | 0.357 | 19% | 0.19 | S | C | . | . | trans | -68.8 | 150.1 | 173.3 | 30.5 | -33.6 | 0 | 0 | 0 | 110.8 | R166 I236 | R166-P212 VanDerWaalsContact CZ-O 3.31Å; R166-P212 PolarHBondContact NE-O 3.28Å; R166-P212 PolarHBondContact NH2-O 3.38Å; P212-I236 CarbonylContact C-O 3.44Å; P212-I236 WeakPolarHBondContact CA-O 3.45Å; P212-I236 WeakPolarHBondContact CB-O 3.4Å | ||
| 213 | G | 80.1 | Confident | 77.6 | Confident | 20 Ų | 20 | 32.8 Ų | 32.8 | 21% | 0.206 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.4 | 179.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y215 I236 | G213-Y215 WeakPolarHBondContact O-CD2 3.48Å; G213-I236 PolarHBondContact N-O 2.79Å; G213-I236 PolarHBondContact O-N 3.42Å |
| 214 | I | 78.6 | Confident | 77.3 | Confident | 61 Ų | 61 | 29.8 Ų | 29.8 | 31% | 0.313 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 131.4 | 173.8 | -52.6 | 165.9 | 0 | 0 | 0 | 107.5 | R166 L167 R233 V234 | R166-I214 CarbonylContact C-O 3.55Å; L167-I214 HydrophobicContact CB-CB 4.3Å; L167-I214 HydrophobicContact CB-CG2 4.5Å; L167-I214 HydrophobicContact CD1-CB 4.25Å; L167-I214 HydrophobicContact CD1-CG2 3.54Å; L167-I214 PolarHBondContact N-O 2.89Å; I214-R233 HydrophobicContact CG2-CG 3.91Å; I214-V234 CarbonylContact C-O 3.6Å |
| 215 | Y | 79.4 | Confident | 77.4 | Confident | 14 Ų | 14 | 31.4 Ų | 31.4 | 6% | 0.055 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 149.4 | 179.3 | -68.6 | -101 | 0 | 0 | 0 | 110.6 | M164 N165 R166 V209 Q211 G213 V234 I236 | M164-Y215 HydrophobicContact CB-CD1 4.34Å; M164-Y215 HydrophobicContact CE-CD1 4.11Å; M164-Y215 HydrophobicContact CE-CG 3.83Å; N165-Y215 CarbonylContact O-C 3.59Å; N165-Y215 VanDerWaalsContact O-CA 3.25Å; N165-Y215 WeakPolarHBondContact O-CA 3.33Å; R166-Y215 HydrophobicContact CB-CD1 3.84Å; R166-Y215 HydrophobicContact CB-CE1 3.47Å; R166-Y215 VanDerWaalsContact CB-CE1 3.47Å; R166-Y215 HydrophobicContact CG-CD1 4.34Å; R166-Y215 HydrophobicContact CG-CE1 3.85Å; R166-Y215 HydrophobicContact CG-CE2 4.14Å; V209-Y215 HydrophobicContact CG1-CD1 4.49Å; V209-Y215 HydrophobicContact CG1-CE1 3.67Å; V209-Y215 HydrophobicContact CG1-CE2 3.95Å; V209-Y215 VanDerWaalsContact CG1-OH 3.23Å; V209-Y215 WeakPolarHBondContact CG1-OH 3.17Å; Q211-Y215 WeakPolarHBondContact O-CE2 3.22Å; Q211-Y215 PolarHBondContact O-OH 2.87Å; G213-Y215 WeakPolarHBondContact O-CD2 3.48Å; Y215-V234 PolarHBondContact N-O 3.38Å; Y215-V234 PolarHBondContact O-N 3.46Å; Y215-I236 HydrophobicContact CD2-CB 4.16Å; Y215-I236 HydrophobicContact CD2-CD1 3.46Å; Y215-I236 VanDerWaalsContact CD2-CD1 3.46Å; Y215-I236 HydrophobicContact CD2-CG1 3.65Å; Y215-I236 HydrophobicContact CE2-CB 4.02Å; Y215-I236 HydrophobicContact CE2-CD1 3.57Å; Y215-I236 HydrophobicContact CE2-CG1 3.93Å; Y215-I236 HydrophobicContact CG-CD1 4.06Å |
| 216 | L | 78.7 | Confident | 77.6 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 116.8 | 163.3 | -65.7 | 175.5 | 0 | 0 | 0 | 107.8 | F45 M164 N165 L167 L176 F218 V231 R233 | F45-L216 HydrophobicContact CD1-CD2 4.01Å; F45-L216 HydrophobicContact CD2-CD1 4.48Å; F45-L216 HydrophobicContact CD2-CD2 4.32Å; F45-L216 HydrophobicContact CE1-CD2 4.12Å; F45-L216 HydrophobicContact CE2-CD2 4.46Å; F45-L216 HydrophobicContact CG-CD2 4.14Å; F45-L216 HydrophobicContact CZ-CD2 4.37Å; M164-L216 CarbonylContact C-O 3.56Å; M164-L216 WeakPolarHBondContact CA-O 3.18Å; N165-L216 PolarHBondContact N-O 3.34Å; N165-L216 PolarHBondContact O-N 2.97Å; L167-L216 HydrophobicContact CD1-CD1 4.36Å; L167-L216 HydrophobicContact CD1-CD2 4.05Å; L167-L216 HydrophobicContact CD1-CG 3.84Å; L167-L216 HydrophobicContact CD2-CD1 4.12Å; L167-L216 HydrophobicContact CD2-CG 4.45Å; L167-L216 HydrophobicContact CG-CD1 4.24Å; L167-L216 HydrophobicContact CG-CG 4.04Å; L176-L216 HydrophobicContact CD2-CD1 4.15Å; L216-F218 HydrophobicContact CB-CD2 4.19Å; L216-F218 HydrophobicContact CB-CE2 3.33Å; L216-F218 HydrophobicContact CB-CZ 3.53Å; L216-F218 HydrophobicContact CD1-CE2 4.45Å; L216-F218 HydrophobicContact CD1-CZ 3.88Å; L216-F218 HydrophobicContact CG-CZ 4.35Å; L216-F218 WeakPolarHBondContact O-CD2 3.05Å; L216-F218 VanDerWaalsContact O-CE2 3.23Å; L216-F218 WeakPolarHBondContact O-CE2 3.45Å; L216-V231 HydrophobicContact CB-CG1 4.41Å; L216-V231 HydrophobicContact CD2-CG1 4.24Å; L216-R233 HydrophobicContact CD2-CB 4.11Å |
| 217 | L | 80.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 132 | 170.8 | -179.6 | 73.1 | 0 | 0 | 0 | 108.7 | W89 P93 I105 L162 F163 M164 V206 V231 K232 V234 | W89-L217 HydrophobicContact CH2-CD2 4.09Å; P93-L217 HydrophobicContact CB-CD2 4.21Å; P93-L217 HydrophobicContact CG-CD2 3.52Å; I105-L217 HydrophobicContact CD1-CD2 4.48Å; I105-L217 HydrophobicContact CG2-CD2 4.39Å; L162-L217 HydrophobicContact CD1-CD1 3.81Å; L162-L217 HydrophobicContact CD1-CG 4.38Å; L162-L217 HydrophobicContact CG-CD1 4.39Å; F163-L217 CarbonylContact O-C 3.6Å; F163-L217 WeakPolarHBondContact O-CA 3.22Å; M164-L217 HydrophobicContact CG-CB 4.4Å; M164-L217 HydrophobicContact CG-CD1 3.36Å; M164-L217 HydrophobicContact CG-CG 4.49Å; M164-L217 HydrophobicContact SD-CD1 3.95Å; V206-L217 HydrophobicContact CG1-CD1 4.17Å; V206-L217 HydrophobicContact CG2-CD1 4.28Å; L217-V231 CarbonylContact O-C 3.54Å; L217-V231 WeakPolarHBondContact O-CA 3.35Å; L217-K232 HydrophobicContact CB-CB 4.49Å; L217-K232 PolarHBondContact N-O 3.3Å; L217-K232 PolarHBondContact O-N 2.86Å; L217-V234 HydrophobicContact CB-CG2 4.43Å |
| 218 | F | 80.6 | Confident | 78.7 | Confident | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 131.4 | -178.5 | -58.2 | -98.9 | 0 | 0 | 0 | 110.6 | L162 F163 N165 V178 L216 I229 L230 V231 | L162-F218 CarbonylContact C-O 3.59Å; L162-F218 WeakPolarHBondContact CA-O 3.44Å; F163-F218 HydrophobicContact CD1-CB 4.1Å; F163-F218 HydrophobicContact CD2-CB 3.21Å; F163-F218 HydrophobicContact CD2-CD1 4.18Å; F163-F218 AromaticContact CD2-CD2 3.27Å; F163-F218 HydrophobicContact CD2-CD2 3.27Å; F163-F218 HydrophobicContact CD2-CE2 4.12Å; F163-F218 AromaticContact CD2-CG 3.32Å; F163-F218 HydrophobicContact CD2-CG 3.32Å; F163-F218 HydrophobicContact CE1-CB 3.99Å; F163-F218 HydrophobicContact CE2-CB 3.03Å; F163-F218 AromaticContact CE2-CD1 3.61Å; F163-F218 HydrophobicContact CE2-CD1 3.61Å; F163-F218 AromaticContact CE2-CD2 3.6Å; F163-F218 HydrophobicContact CE2-CD2 3.6Å; F163-F218 HydrophobicContact CE2-CE1 4.42Å; F163-F218 HydrophobicContact CE2-CE2 4.38Å; F163-F218 AromaticContact CE2-CG 3.15Å; F163-F218 HydrophobicContact CE2-CG 3.15Å; F163-F218 HydrophobicContact CG-CB 3.72Å; F163-F218 HydrophobicContact CG-CD2 4.22Å; F163-F218 HydrophobicContact CG-CG 4.26Å; F163-F218 HydrophobicContact CZ-CB 3.46Å; F163-F218 VanDerWaalsContact CZ-CB 3.46Å; F163-F218 HydrophobicContact CZ-CD1 4.41Å; F163-F218 HydrophobicContact CZ-CG 4.03Å; F163-F218 PolarHBondContact N-O 2.99Å; F163-F218 PolarHBondContact O-N 3.36Å; N165-F218 HydrophobicContact CB-CE2 4.06Å; V178-F218 HydrophobicContact CG1-CE1 4.07Å; V178-F218 HydrophobicContact CG1-CZ 4.38Å; L216-F218 HydrophobicContact CB-CD2 4.19Å; L216-F218 HydrophobicContact CB-CE2 3.33Å; L216-F218 HydrophobicContact CB-CZ 3.53Å; L216-F218 HydrophobicContact CD1-CE2 4.45Å; L216-F218 HydrophobicContact CD1-CZ 3.88Å; L216-F218 HydrophobicContact CG-CZ 4.35Å; L216-F218 WeakPolarHBondContact O-CD2 3.05Å; L216-F218 VanDerWaalsContact O-CE2 3.23Å; L216-F218 WeakPolarHBondContact O-CE2 3.45Å; F218-I229 HydrophobicContact CB-CG2 4.35Å; F218-I229 HydrophobicContact CD1-CG2 3.77Å; F218-L230 CarbonylContact C-O 3.57Å; F218-L230 WeakPolarHBondContact CA-O 3.44Å; F218-V231 HydrophobicContact CD1-CB 4.32Å; F218-V231 HydrophobicContact CD1-CG1 4.01Å; F218-V231 HydrophobicContact CD1-CG2 3.57Å; F218-V231 HydrophobicContact CE1-CB 4.44Å; F218-V231 HydrophobicContact CE1-CG1 3.81Å; F218-V231 HydrophobicContact CE1-CG2 3.74Å; F218-V231 HydrophobicContact CZ-CG1 4.31Å |
| 219 | V | 82.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 113.5 | 165.1 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | W89 I105 F107 I160 L162 I229 L230 | W89-V219 HydrophobicContact CH2-CG2 3.6Å; W89-V219 HydrophobicContact CZ2-CG2 4.32Å; W89-V219 HydrophobicContact CZ3-CG2 4.21Å; I105-V219 HydrophobicContact CD1-CG2 4.22Å; F107-V219 HydrophobicContact CD1-CG1 4.25Å; F107-V219 HydrophobicContact CD1-CG2 4.27Å; F107-V219 HydrophobicContact CD2-CG1 4.25Å; F107-V219 HydrophobicContact CE1-CG1 3.76Å; F107-V219 HydrophobicContact CE1-CG2 4.21Å; F107-V219 HydrophobicContact CE2-CG1 3.75Å; F107-V219 HydrophobicContact CG-CG1 4.48Å; F107-V219 HydrophobicContact CZ-CG1 3.48Å; F107-V219 VanDerWaalsContact CZ-CG1 3.48Å; I160-V219 HydrophobicContact CG2-CG1 4.4Å; L162-V219 HydrophobicContact CD1-CG2 3.87Å; V219-I229 CarbonylContact O-C 3.56Å; V219-I229 VanDerWaalsContact O-CA 3.28Å; V219-I229 WeakPolarHBondContact O-CA 3.49Å; V219-L230 HydrophobicContact CB-CB 4.23Å; V219-L230 PolarHBondContact N-O 3.35Å; V219-L230 PolarHBondContact O-N 3.49Å |
| 220 | R | 80.8 | Confident | 80 | Confident | 11 Ų | 11 | 20.7 Ų | 20.7 | 4% | 0.042 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 135.7 | 176.7 | -179.6 | 179.1 | 175.3 | -126 | 7.1 | 110.3 | E152 I160 S161 F163 Q227 S228 I229 | E152-R220 IonicContact OE2-NH1 3.21Å; E152-R220 PolarHBondContact OE2-NH1 3.01Å; I160-R220 VanDerWaalsContact CA-O 3.31Å; I160-R220 WeakPolarHBondContact CA-O 3.16Å; S161-R220 PolarHBondContact N-O 3.35Å; S161-R220 PolarHBondContact O-N 3.49Å; F163-R220 HydrophobicContact CE1-CB 3.4Å; F163-R220 VanDerWaalsContact CE1-CB 3.4Å; F163-R220 HydrophobicContact CE1-CG 4.33Å; F163-R220 HydrophobicContact CZ-CB 3.74Å; F163-R220 HydrophobicContact CZ-CG 4.48Å; R220-Q227 VanDerWaalsContact CZ-OE1 3.24Å; R220-S228 CarbonylContact C-O 3.58Å; R220-S228 WeakPolarHBondContact CA-O 3.36Å; R220-I229 HydrophobicContact CB-CD1 4.4Å; R220-I229 HydrophobicContact CB-CG1 3.93Å; R220-I229 HydrophobicContact CG-CD1 4.43Å; R220-I229 HydrophobicContact CG-CG1 4Å |
| 221 | I | 81.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118.8 | 169.4 | -53 | -174.4 | 0 | 0 | 0 | 107.6 | F85 I87 F107 A109 H159 I160 L198 I223 Q227 S228 | F85-I221 HydrophobicContact CE1-CB 4.29Å; F85-I221 HydrophobicContact CE1-CD1 4.04Å; F85-I221 HydrophobicContact CE1-CG2 4.38Å; F85-I221 HydrophobicContact CZ-CB 4.31Å; F85-I221 HydrophobicContact CZ-CD1 3.78Å; F85-I221 HydrophobicContact CZ-CG2 3.96Å; I87-I221 HydrophobicContact CD1-CB 4.38Å; I87-I221 HydrophobicContact CD1-CD1 3.62Å; I87-I221 HydrophobicContact CD1-CG1 3.83Å; I87-I221 HydrophobicContact CG1-CD1 3.93Å; I87-I221 HydrophobicContact CG2-CD1 4.49Å; F107-I221 HydrophobicContact CE2-CD1 4.47Å; A109-I221 HydrophobicContact CB-CD1 3.69Å; H159-I221 CarbonylContact O-C 3.55Å; H159-I221 WeakPolarHBondContact O-CA 3.28Å; I160-I221 HydrophobicContact CD1-CD1 4.41Å; I160-I221 HydrophobicContact CD1-CG1 4.45Å; I160-I221 HydrophobicContact CG1-CG1 4.17Å; L198-I221 HydrophobicContact CD2-CG2 4.21Å; I221-I223 HydrophobicContact CG2-CD1 4.2Å; I221-I223 HydrophobicContact CG2-CG1 3.93Å; I221-Q227 WeakPolarHBondContact O-CA 3.27Å; I221-S228 PolarHBondContact N-O 2.98Å; I221-S228 PolarHBondContact O-N 2.92Å |
| 222 | L | 78.6 | Confident | 80.9 | Confident | 3 Ų | 3 | 12.1 Ų | 12.1 | 2% | 0.016 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.9 | 173.3 | 174.5 | 69.4 | 0 | 0 | 0 | 108.1 | F73 W158 H159 G224 F226 Q227 | F73-L222 HydrophobicContact CD1-CD1 4.31Å; F73-L222 HydrophobicContact CE1-CD1 4.17Å; F73-L222 HydrophobicContact CE1-CD2 4.24Å; W158-L222 CarbonylContact C-O 3.5Å; W158-L222 WeakPolarHBondContact CA-O 3.42Å; W158-L222 VanDerWaalsContact CB-O 3.23Å; W158-L222 WeakPolarHBondContact CB-O 3.19Å; H159-L222 HydrophobicContact CB-CB 4.39Å; H159-L222 PolarHBondContact N-O 3.49Å; H159-L222 PolarHBondContact O-N 3.12Å; L222-G224 WeakPolarHBondContact CD1-O 3.2Å; L222-F226 CarbonylContact C-O 3.51Å; L222-F226 WeakPolarHBondContact CA-O 3.42Å; L222-Q227 HydrophobicContact CD1-CG 3.45Å; L222-Q227 VanDerWaalsContact CD1-CG 3.45Å |
| 223 | I | 80.5 | Confident | 81 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 102.4 | 177.2 | -50 | 176.4 | 0 | 0 | 0 | 107.3 | F85 F115 I124 F125 W158 L198 I221 R225 F226 | F85-I223 HydrophobicContact CD2-CD1 4.15Å; F85-I223 HydrophobicContact CE2-CD1 3.76Å; F85-I223 HydrophobicContact CZ-CD1 4.04Å; F115-I223 HydrophobicContact CE1-CD1 4.15Å; F115-I223 HydrophobicContact CE1-CG2 4.45Å; F115-I223 HydrophobicContact CE2-CD1 4.49Å; F115-I223 HydrophobicContact CZ-CB 4.44Å; F115-I223 HydrophobicContact CZ-CD1 3.68Å; F115-I223 HydrophobicContact CZ-CG2 4.19Å; I124-I223 WeakPolarHBondContact CG2-O 3.29Å; F125-I223 HydrophobicContact CE1-CG2 3.88Å; F125-I223 HydrophobicContact CZ-CG2 3.62Å; W158-I223 HydrophobicContact CB-CB 4.35Å; W158-I223 HydrophobicContact CB-CG1 3.88Å; W158-I223 HydrophobicContact CB-CG2 4.42Å; L198-I223 HydrophobicContact CD1-CD1 4.23Å; L198-I223 HydrophobicContact CD2-CD1 3.51Å; L198-I223 HydrophobicContact CD2-CG1 4.15Å; I221-I223 HydrophobicContact CG2-CD1 4.2Å; I221-I223 HydrophobicContact CG2-CG1 3.93Å; I223-R225 PolarHBondContact O-N 3.01Å; I223-F226 HydrophobicContact CB-CD1 4.26Å; I223-F226 HydrophobicContact CD1-CD1 4.19Å; I223-F226 HydrophobicContact CD1-CE1 4.41Å; I223-F226 HydrophobicContact CG1-CD1 4.35Å; I223-F226 PolarHBondContact N-O 2.83Å; I223-F226 WeakPolarHBondContact O-CB 2.83Å; I223-F226 PolarHBondContact O-N 2.86Å |
| 224 | G | 77.8 | Confident | 81.1 | Confident | 10 Ų | 10 | 14 Ų | 14 | 10% | 0.103 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | -115.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L222 | L222-G224 WeakPolarHBondContact CD1-O 3.2Š|
| 225 | R | 79.2 | Confident | 81.3 | Confident | 41 Ų | 41 | 12.5 Ų | 12.5 | 16% | 0.155 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -8.7 | 175.6 | -66.6 | 172.7 | 60.2 | -166.4 | -0.4 | 115.2 | S69 I124 I223 | S69-R225 WeakPolarHBondContact CB-O 3.3Å; S69-R225 PolarHBondContact N-O 2.59Å; S69-R225 PolarHBondContact O-NE 3.11Å; S69-R225 PolarHBondContact O-NH2 3.3Å; S69-R225 VanDerWaalsContact O-NH2 3.11Å; S69-R225 PolarHBondContact OG-O 3.45Å; I124-R225 PolarHBondContact O-N 2.83Å; I223-R225 PolarHBondContact O-N 3.01Å |
| 226 | F | 85.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 138.8 | -178.7 | 168.3 | -93.8 | 0 | 0 | 0 | 111.7 | C66 L79 L83 F85 F115 I124 L222 I223 | C66-F226 HydrophobicContact CB-CE2 4Å; C66-F226 HydrophobicContact CB-CZ 4.19Å; L79-F226 HydrophobicContact CD1-CD2 3.69Å; L79-F226 HydrophobicContact CD1-CE2 3.71Å; L83-F226 HydrophobicContact CD1-CD2 3.72Å; L83-F226 HydrophobicContact CD1-CE2 3.92Å; L83-F226 HydrophobicContact CG-CD2 4.4Å; L83-F226 HydrophobicContact CG-CE2 4.12Å; F85-F226 HydrophobicContact CB-CE1 4.12Å; F85-F226 HydrophobicContact CB-CZ 3.95Å; F85-F226 AromaticContact CD1-CE1 3.81Å; F85-F226 HydrophobicContact CD1-CE1 3.81Å; F85-F226 HydrophobicContact CD1-CZ 4.12Å; F85-F226 HydrophobicContact CE1-CE1 4.42Å; F85-F226 AromaticContact CG-CE1 3.96Å; F85-F226 HydrophobicContact CG-CE1 3.96Å; F85-F226 HydrophobicContact CG-CZ 4.24Å; F115-F226 AromaticContact CE2-CD1 3.89Å; F115-F226 HydrophobicContact CE2-CD1 3.89Å; F115-F226 AromaticContact CE2-CE1 3.83Å; F115-F226 HydrophobicContact CE2-CE1 3.83Å; F115-F226 HydrophobicContact CE2-CG 4.3Å; F115-F226 HydrophobicContact CE2-CZ 4.17Å; F115-F226 HydrophobicContact CZ-CD1 4.16Å; F115-F226 HydrophobicContact CZ-CE1 4.39Å; I124-F226 HydrophobicContact CD1-CB 3.8Å; I124-F226 HydrophobicContact CD1-CG 4.47Å; I124-F226 HydrophobicContact CG1-CB 4.45Å; I124-F226 HydrophobicContact CG2-CB 4.01Å; L222-F226 CarbonylContact C-O 3.51Å; L222-F226 WeakPolarHBondContact CA-O 3.42Å; I223-F226 HydrophobicContact CB-CD1 4.26Å; I223-F226 HydrophobicContact CD1-CD1 4.19Å; I223-F226 HydrophobicContact CD1-CE1 4.41Å; I223-F226 HydrophobicContact CG1-CD1 4.35Å; I223-F226 PolarHBondContact N-O 2.83Å; I223-F226 WeakPolarHBondContact O-CB 2.83Å; I223-F226 PolarHBondContact O-N 2.86Å |
| 227 | Q | 82.7 | Confident | 81.4 | Confident | 3 Ų | 3 | 15 Ų | 15 | 1% | 0.014 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 137.1 | 178.6 | -64.7 | -169.4 | 46.7 | 0 | 0 | 110.2 | C66 W67 S69 R220 I221 L222 | C66-Q227 VanDerWaalsContact CA-O 3.25Å; C66-Q227 WeakPolarHBondContact CA-O 3.29Å; W67-Q227 HydrophobicContact CD2-CB 3.86Å; W67-Q227 VanDerWaalsContact CE2-CB 3.44Å; W67-Q227 HydrophobicContact CE3-CB 4.35Å; W67-Q227 HydrophobicContact CG-CB 4.37Å; W67-Q227 HydrophobicContact CH2-CB 4.14Å; W67-Q227 HydrophobicContact CZ2-CB 3.63Å; W67-Q227 HydrophobicContact CZ2-CG 4.23Å; W67-Q227 HydrophobicContact CZ3-CB 4.47Å; W67-Q227 PolarHBondContact N-O 3.16Å; W67-Q227 PolarHBondContact O-N 2.95Å; S69-Q227 PolarHBondContact OG-NE2 3.13Å; R220-Q227 VanDerWaalsContact CZ-OE1 3.24Å; I221-Q227 WeakPolarHBondContact O-CA 3.27Å; L222-Q227 HydrophobicContact CD1-CG 3.45Å; L222-Q227 VanDerWaalsContact CD1-CG 3.45Å |
| 228 | S | 84.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.2 | 171.6 | -172.6 | 0 | 0 | 0 | 0 | 110.6 | Q64 L65 C66 I87 R220 I221 | Q64-S228 WeakPolarHBondContact CG-OG 3.2Å; Q64-S228 PolarHBondContact NE2-OG 2.86Å; L65-S228 CarbonylContact O-C 3.42Å; L65-S228 WeakPolarHBondContact O-CA 3.27Å; C66-S228 PolarHBondContact SG-OG 2.94Å; I87-S228 WeakPolarHBondContact CD1-OG 3.22Å; R220-S228 CarbonylContact C-O 3.58Å; R220-S228 WeakPolarHBondContact CA-O 3.36Å; I221-S228 PolarHBondContact N-O 2.98Å; I221-S228 PolarHBondContact O-N 2.92Å |
| 229 | I | 82.7 | Confident | 79.7 | Confident | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 138.4 | 177.9 | -71.8 | -169.6 | 0 | 0 | 0 | 110.5 | Q64 L65 W67 F163 F181 F218 V219 R220 V231 | Q64-I229 CarbonylContact C-O 3.58Å; Q64-I229 VanDerWaalsContact CA-O 3.29Å; Q64-I229 WeakPolarHBondContact CA-O 3.03Å; L65-I229 PolarHBondContact N-O 2.76Å; L65-I229 PolarHBondContact O-N 2.95Å; W67-I229 HydrophobicContact CH2-CD1 3.41Å; W67-I229 VanDerWaalsContact CH2-CD1 3.41Å; W67-I229 HydrophobicContact CH2-CG1 3.65Å; W67-I229 HydrophobicContact CZ3-CB 4.3Å; W67-I229 HydrophobicContact CZ3-CD1 3.99Å; W67-I229 HydrophobicContact CZ3-CG1 3.9Å; F163-I229 HydrophobicContact CE2-CD1 4.17Å; F163-I229 HydrophobicContact CZ-CD1 3.66Å; F163-I229 HydrophobicContact CZ-CG1 4.43Å; F181-I229 HydrophobicContact CE1-CD1 4.25Å; F181-I229 HydrophobicContact CE2-CD1 4.17Å; F181-I229 HydrophobicContact CZ-CD1 3.49Å; F181-I229 VanDerWaalsContact CZ-CD1 3.49Å; F218-I229 HydrophobicContact CB-CG2 4.35Å; F218-I229 HydrophobicContact CD1-CG2 3.77Å; V219-I229 CarbonylContact O-C 3.56Å; V219-I229 VanDerWaalsContact O-CA 3.28Å; V219-I229 WeakPolarHBondContact O-CA 3.49Å; R220-I229 HydrophobicContact CB-CD1 4.4Å; R220-I229 HydrophobicContact CB-CG1 3.93Å; R220-I229 HydrophobicContact CG-CD1 4.43Å; R220-I229 HydrophobicContact CG-CG1 4Å; I229-V231 HydrophobicContact CG2-CG2 3.45Å; I229-V231 VanDerWaalsContact CG2-CG2 3.45Å |
| 230 | L | 84.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125.5 | 164.4 | -168.9 | 67.1 | 0 | 0 | 0 | 109.6 | V62 I87 W89 F218 V219 | V62-L230 HydrophobicContact CG1-CD1 3.37Å; V62-L230 HydrophobicContact CG1-CG 4.41Å; I87-L230 HydrophobicContact CB-CB 4.35Å; I87-L230 HydrophobicContact CB-CD2 4.34Å; I87-L230 HydrophobicContact CG2-CB 4.16Å; I87-L230 HydrophobicContact CG2-CD2 3.76Å; I87-L230 HydrophobicContact CG2-CG 4.49Å; W89-L230 HydrophobicContact CD2-CD2 3.69Å; W89-L230 HydrophobicContact CE3-CD2 4.32Å; W89-L230 HydrophobicContact CG-CD2 3.98Å; W89-L230 HydrophobicContact CH2-CD2 4.39Å; W89-L230 HydrophobicContact CZ2-CD2 3.77Å; W89-L230 HydrophobicContact CZ2-CG 4.07Å; F218-L230 CarbonylContact C-O 3.57Å; F218-L230 WeakPolarHBondContact CA-O 3.44Å; V219-L230 HydrophobicContact CB-CB 4.23Å; V219-L230 PolarHBondContact N-O 3.35Å; V219-L230 PolarHBondContact O-N 3.49Å |
| 231 | V | 79.1 | Confident | 75.7 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 140.9 | -175.5 | -168.4 | 0 | 0 | 0 | 0 | 111.6 | F45 L216 L217 F218 I229 | F45-V231 HydrophobicContact CE1-CG1 4.35Å; F45-V231 HydrophobicContact CE2-CB 4.41Å; F45-V231 HydrophobicContact CE2-CG1 3.88Å; F45-V231 HydrophobicContact CZ-CB 3.92Å; F45-V231 HydrophobicContact CZ-CG1 3.5Å; L216-V231 HydrophobicContact CB-CG1 4.41Å; L216-V231 HydrophobicContact CD2-CG1 4.24Å; L217-V231 CarbonylContact O-C 3.54Å; L217-V231 WeakPolarHBondContact O-CA 3.35Å; F218-V231 HydrophobicContact CD1-CB 4.32Å; F218-V231 HydrophobicContact CD1-CG1 4.01Å; F218-V231 HydrophobicContact CD1-CG2 3.57Å; F218-V231 HydrophobicContact CE1-CB 4.44Å; F218-V231 HydrophobicContact CE1-CG1 3.81Å; F218-V231 HydrophobicContact CE1-CG2 3.74Å; F218-V231 HydrophobicContact CZ-CG1 4.31Å; I229-V231 HydrophobicContact CG2-CG2 3.45Å; I229-V231 VanDerWaalsContact CG2-CG2 3.45Å |
| 232 | K | 82.3 | Confident | 73.3 | Confident | 27 Ų | 27 | 46.3 Ų | 46.3 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 134 | 170.1 | -179.3 | 65.7 | 177.5 | -177.7 | 0 | 111 | W89 E92 P93 N95 L217 V234 | W89-K232 HydrophobicContact CZ2-CB 4.12Å; E92-K232 HydrophobicContact CG-CD 4.24Å; E92-K232 VanDerWaalsContact OE1-CD 3.28Å; E92-K232 WeakPolarHBondContact OE1-CD 3.36Å; E92-K232 WeakPolarHBondContact OE1-CE 3.48Å; E92-K232 IonicContact OE1-NZ 2.83Å; E92-K232 PolarHBondContact OE1-NZ 3.37Å; P93-K232 HydrophobicContact CB-CG 4.47Å; P93-K232 HydrophobicContact CG-CB 4.38Å; P93-K232 HydrophobicContact CG-CG 4.04Å; N95-K232 VanDerWaalsContact OD1-CE 3.32Å; N95-K232 WeakPolarHBondContact OD1-CE 3.49Å; N95-K232 PolarHBondContact OD1-NZ 2.89Å; L217-K232 HydrophobicContact CB-CB 4.49Å; L217-K232 PolarHBondContact N-O 3.3Å; L217-K232 PolarHBondContact O-N 2.86Å; K232-V234 HydrophobicContact CG-CG2 4.18Å |
| 233 | R | 80.6 | Confident | 71 | Confident | 114 Ų | 114 | 51.1 Ų | 51.1 | 43% | 0.43 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 133.3 | 170.6 | -179.5 | -180 | 176.3 | -89.3 | 1.5 | 110.3 | I214 L216 | I214-R233 HydrophobicContact CG2-CG 3.91Å; L216-R233 HydrophobicContact CD2-CB 4.11Å |
| 234 | V | 81.8 | Confident | 68.6 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 141 | -178.6 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | P93 W97 I214 Y215 L217 K232 I236 | P93-V234 HydrophobicContact CB-CG2 4.48Å; W97-V234 HydrophobicContact CD2-CG1 3.52Å; W97-V234 HydrophobicContact CE3-CB 4.44Å; W97-V234 HydrophobicContact CE3-CG1 3.24Å; W97-V234 HydrophobicContact CE3-CG2 4.36Å; W97-V234 HydrophobicContact CG-CG1 4.5Å; W97-V234 HydrophobicContact CH2-CB 4.17Å; W97-V234 HydrophobicContact CH2-CG1 3.57Å; W97-V234 HydrophobicContact CH2-CG2 3.74Å; W97-V234 HydrophobicContact CZ2-CG1 3.76Å; W97-V234 HydrophobicContact CZ3-CB 4.07Å; W97-V234 HydrophobicContact CZ3-CG1 3.28Å; W97-V234 HydrophobicContact CZ3-CG2 3.59Å; I214-V234 CarbonylContact C-O 3.6Å; Y215-V234 PolarHBondContact N-O 3.38Å; Y215-V234 PolarHBondContact O-N 3.46Å; L217-V234 HydrophobicContact CB-CG2 4.43Å; K232-V234 HydrophobicContact CG-CG2 4.18Å; V234-I236 HydrophobicContact CG1-CG1 4.41Å |
| 235 | T | 83 | Confident | 66.4 | Low | 31 Ų | 31 | 64.5 Ų | 64.5 | 19% | 0.19 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.4 | 172.8 | -53.8 | 0 | 0 | 0 | 0 | 110 | N95 E96 W97 | N95-T235 PolarHBondContact O-N 2.89Å; E96-T235 VanDerWaalsContact CA-O 3.27Å; E96-T235 WeakPolarHBondContact CA-O 3.37Å; E96-T235 HydrophobicContact CG-CG2 4.37Å; W97-T235 PolarHBondContact N-O 2.83Å |
| 236 | I | 81.8 | Confident | 64 | Low | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.7 | 178.8 | -56.1 | -174.9 | 0 | 0 | 0 | 109.8 | W97 I99 M164 V209 P212 G213 Y215 V234 | W97-I236 VanDerWaalsContact O-CA 3.3Å; W97-I236 WeakPolarHBondContact O-CA 3.28Å; I99-I236 HydrophobicContact CB-CG2 4.4Å; M164-I236 HydrophobicContact CE-CD1 3.92Å; V209-I236 HydrophobicContact CB-CD1 3.45Å; V209-I236 VanDerWaalsContact CB-CD1 3.45Å; V209-I236 HydrophobicContact CG1-CD1 3.56Å; V209-I236 HydrophobicContact CG2-CD1 3.55Å; P212-I236 CarbonylContact C-O 3.44Å; P212-I236 WeakPolarHBondContact CA-O 3.45Å; P212-I236 WeakPolarHBondContact CB-O 3.4Å; G213-I236 PolarHBondContact N-O 2.79Å; G213-I236 PolarHBondContact O-N 3.42Å; Y215-I236 HydrophobicContact CD2-CB 4.16Å; Y215-I236 HydrophobicContact CD2-CD1 3.46Å; Y215-I236 VanDerWaalsContact CD2-CD1 3.46Å; Y215-I236 HydrophobicContact CD2-CG1 3.65Å; Y215-I236 HydrophobicContact CE2-CB 4.02Å; Y215-I236 HydrophobicContact CE2-CD1 3.57Å; Y215-I236 HydrophobicContact CE2-CG1 3.93Å; Y215-I236 HydrophobicContact CG-CD1 4.06Å; V234-I236 HydrophobicContact CG1-CG1 4.41Å |
| 237 | T | 79.1 | Confident | 61.4 | Low | 65 Ų | 65 | 76.8 Ų | 76.8 | 40% | 0.399 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 145.2 | -177 | 54.1 | 0 | 0 | 0 | 0 | 111.6 | W97 S98 I99 | W97-T237 PolarHBondContact O-N 2.9Å; W97-T237 PolarHBondContact O-OG1 2.88Å; S98-T237 CarbonylContact C-O 3.59Å; I99-T237 WeakPolarHBondContact CB-O 3.34Å; I99-T237 PolarHBondContact N-O 3.37Å |
| 238 | S | 69.4 | Low | 59.1 | Low | 70 Ų | 70 | 87.9 Ų | 87.9 | 49% | 0.49 | 45% | 0.447 | S | S | . | . | trans | -75.3 | 146.5 | 173.9 | 53.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 239 | L | 56.8 | Low | 56.6 | Low | 104 Ų | 104 | 92.6 Ų | 92.6 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | trans | -68.9 | 126.6 | 166 | -115.8 | 91 | 0 | 0 | 0 | 109.2 | I99 I241 | I99-L239 HydrophobicContact CG2-CB 4.44Å; I99-L239 HydrophobicContact CG2-CD1 4.5Å; L239-I241 HydrophobicContact CB-CG1 4.38Å; L239-I241 HydrophobicContact CD2-CD1 4.37Å; L239-I241 PolarHBondContact O-N 3.3Å | ||
| 240 | D | 42.5 | Very low | 54.4 | Low | 164 Ų | 164 | 98 Ų | 98 | 88% | 0.877 | 52% | 0.516 | S | S | * | . | trans | -63.5 | 101.6 | 171.4 | -80.2 | -36.2 | 0 | 0 | 0 | 110.3 | ||||
| 241 | I | 36 | Very low | 52.4 | Low | 125 Ų | 125 | 103 Ų | 103 | 64% | 0.641 | 54% | 0.542 | S | S | * | . | trans | -135.2 | 126.1 | 167.9 | -44.4 | -178.6 | 0 | 0 | 0 | 108.5 | L239 | L239-I241 HydrophobicContact CB-CG1 4.38Å; L239-I241 HydrophobicContact CD2-CD1 4.37Å; L239-I241 PolarHBondContact O-N 3.3Å | ||
| 242 | Y | 31.7 | Very low | 51 | Low | 205 Ų | 205 | 110.5 Ų | 110.5 | 80% | 0.804 | 58% | 0.577 | S | S | * | * | trans | 88.7 | 81 | 173.1 | -77.6 | -84.4 | 0 | 0 | 0 | 119.2 | ||||
| 243 | S | 29.6 | Very low | 49.6 | Very low | 104 Ų | 104 | 112.9 Ų | 112.9 | 73% | 0.727 | 60% | 0.602 | S | S | * | * | -46.3 | 147.5 | 124.9 | 52 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 244 | T | 31.4 | Very low | 48.4 | Very low | 115 Ų | 115 | 114.5 Ų | 114.5 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | trans | 99.4 | 88 | 171.7 | -28 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 245 | L | 30 | Very low | 47.2 | Very low | 177 Ų | 177 | 118.9 Ų | 118.9 | 93% | 0.927 | 64% | 0.637 | S | S | * | * | 172.5 | 78.6 | 127.8 | -90.7 | 156.2 | 0 | 0 | 0 | 108.8 | |||||
| 246 | Q | 29.6 | Very low | 45.9 | Very low | 182 Ų | 182 | 121.8 Ų | 121.8 | 85% | 0.85 | 65% | 0.65 | S | S | * | * | trans | -102.6 | 145.3 | 164.3 | -128.1 | 179.5 | -2.9 | 0 | 0 | 107.7 | ||||
| 247 | T | 31.3 | Very low | 45.1 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 72% | 0.718 | 67% | 0.672 | S | S | * | * | trans | 81.2 | 104.8 | 166 | 66.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 248 | Y | 32.8 | Very low | 44.5 | Very low | 235 Ų | 235 | 128.3 Ų | 128.3 | 92% | 0.922 | 69% | 0.685 | S | S | * | * | -148.5 | 145.8 | 127.4 | -84.7 | -71.3 | 0 | 0 | 0 | 110.4 | |||||
| 249 | P | 33.7 | Very low | 44.4 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 65% | 0.649 | 69% | 0.685 | S | S | * | * | trans | -101.5 | 149.7 | -161.2 | 33.5 | -21.9 | 0 | 0 | 0 | 114.5 | ||||
| 250 | S | 35.7 | Very low | 45.1 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 68% | 0.684 | S | S | * | * | trans | 38.2 | 89.5 | 152.7 | 62.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 251 | L | 42.3 | Very low | 46.7 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 56% | 0.555 | 67% | 0.669 | S | S | * | * | trans | -92.1 | 142.6 | 156.6 | -101.4 | 76.8 | 0 | 0 | 0 | 110.6 | E255 | L251-E255 HydrophobicContact CB-CB 4.45Å; L251-E255 WeakPolarHBondContact CB-OE2 3.3Å; L251-E255 HydrophobicContact CD2-CB 4.02Å; L251-E255 VanDerWaalsContact CD2-CD 3.49Å; L251-E255 HydrophobicContact CD2-CG 4.32Å; L251-E255 WeakPolarHBondContact CD2-OE2 3.3Å; L251-E255 WeakPolarHBondContact CG-OE2 3.43Å | ||
| 252 | Q | 50.7 | Low | 48.7 | Very low | 159 Ų | 159 | 122.5 Ų | 122.5 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | trans | -71.9 | 152.5 | -168.8 | -69.5 | 177.1 | -24.8 | 0 | 0 | 112 | M254 E255 | Q252-M254 PolarHBondContact O-N 2.89Å; Q252-E255 PolarHBondContact N-OE2 3.44Å; Q252-E255 PolarHBondContact O-N 3.49Å | ||
| 253 | A | 51.4 | Low | 50.7 | Low | 77 Ų | 77 | 116.2 Ų | 116.2 | 64% | 0.636 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -51.2 | -24.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | V257 | A253-V257 WeakPolarHBondContact O-CG2 3.31Å; A253-V257 PolarHBondContact O-N 2.92Å |
| 254 | M | 55.3 | Low | 52.9 | Low | 149 Ų | 149 | 113.8 Ų | 113.8 | 73% | 0.734 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -74 | -33 | 176.8 | -72.7 | -68.3 | -75.4 | 0 | 0 | 113.4 | Q252 V257 L258 | Q252-M254 PolarHBondContact O-N 2.89Å; M254-V257 PolarHBondContact O-N 2.66Å; M254-L258 PolarHBondContact O-N 2.84Å |
| 255 | E | 56.3 | Low | 55.3 | Low | 91 Ų | 91 | 113.6 Ų | 113.6 | 43% | 0.425 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -75.1 | -32.8 | 177.5 | -67.6 | 169.5 | 136.3 | 0 | 0 | 111 | L251 Q252 V257 L258 I259 | L251-E255 HydrophobicContact CB-CB 4.45Å; L251-E255 WeakPolarHBondContact CB-OE2 3.3Å; L251-E255 HydrophobicContact CD2-CB 4.02Å; L251-E255 VanDerWaalsContact CD2-CD 3.49Å; L251-E255 HydrophobicContact CD2-CG 4.32Å; L251-E255 WeakPolarHBondContact CD2-OE2 3.3Å; L251-E255 WeakPolarHBondContact CG-OE2 3.43Å; Q252-E255 PolarHBondContact N-OE2 3.44Å; Q252-E255 PolarHBondContact O-N 3.49Å; E255-V257 VanDerWaalsContact C-N 3.35Å; E255-V257 PolarHBondContact O-N 3.42Å; E255-L258 PolarHBondContact O-N 3.38Å; E255-I259 WeakPolarHBondContact O-CB 3.44Å; E255-I259 WeakPolarHBondContact O-CD1 3.32Å; E255-I259 WeakPolarHBondContact O-CG1 3.31Å; E255-I259 PolarHBondContact O-N 3.5Å |
| 256 | I | 55.9 | Low | 57.7 | Low | 92 Ų | 92 | 110.8 Ų | 110.8 | 47% | 0.472 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -62.6 | -41.9 | 172.9 | -60.8 | 176.3 | 0 | 0 | 0 | 110.6 | L258 I259 V260 | I256-L258 PolarHBondContact O-N 2.92Å; I256-I259 PolarHBondContact O-N 3.32Å; I256-V260 HydrophobicContact CG2-CG2 4.18Å; I256-V260 WeakPolarHBondContact O-CB 3.49Å; I256-V260 WeakPolarHBondContact O-CG2 3.35Å; I256-V260 PolarHBondContact O-N 3.27Å |
| 257 | V | 64.6 | Low | 60.1 | Low | 81 Ų | 81 | 107.4 Ų | 107.4 | 49% | 0.491 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.5 | -41.6 | 177.6 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | A253 M254 E255 V260 L261 | A253-V257 WeakPolarHBondContact O-CG2 3.31Å; A253-V257 PolarHBondContact O-N 2.92Å; M254-V257 PolarHBondContact O-N 2.66Å; E255-V257 VanDerWaalsContact C-N 3.35Å; E255-V257 PolarHBondContact O-N 3.42Å; V257-V260 PolarHBondContact O-N 3.49Å; V257-L261 HydrophobicContact CG1-CD1 3.98Å; V257-L261 HydrophobicContact CG1-CG 4.46Å; V257-L261 WeakPolarHBondContact O-CB 3.48Å; V257-L261 VanDerWaalsContact O-CG 3.3Å; V257-L261 WeakPolarHBondContact O-CG 3.33Å; V257-L261 PolarHBondContact O-N 3.47Å |
| 258 | L | 67.6 | Low | 62.6 | Low | 126 Ų | 126 | 105.5 Ų | 105.5 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.7 | -41 | 176.8 | -119.3 | 108.7 | 0 | 0 | 0 | 112.3 | M254 E255 I256 L261 A262 | M254-L258 PolarHBondContact O-N 2.84Å; E255-L258 PolarHBondContact O-N 3.38Å; I256-L258 PolarHBondContact O-N 2.92Å; L258-L261 PolarHBondContact O-N 2.94Å; L258-A262 WeakPolarHBondContact O-CB 3.3Å; L258-A262 PolarHBondContact O-N 3.47Å |
| 259 | I | 67.6 | Low | 65.1 | Low | 95 Ų | 95 | 98 Ų | 98 | 49% | 0.487 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.3 | -42.6 | 176.4 | -68 | 165.6 | 0 | 0 | 0 | 110.5 | E255 I256 L261 A262 C263 | E255-I259 WeakPolarHBondContact O-CB 3.44Å; E255-I259 WeakPolarHBondContact O-CD1 3.32Å; E255-I259 WeakPolarHBondContact O-CG1 3.31Å; E255-I259 PolarHBondContact O-N 3.5Å; I256-I259 PolarHBondContact O-N 3.32Å; I259-L261 PolarHBondContact O-N 3.48Å; I259-A262 PolarHBondContact O-N 2.97Å; I259-C263 VanDerWaalsContact O-CB 3.3Å; I259-C263 WeakPolarHBondContact O-CB 3.3Å; I259-C263 PolarHBondContact O-N 3.34Å; I259-C263 PolarHBondContact O-SG 2.86Å |
| 260 | V | 71.1 | Confident | 67.5 | Low | 86 Ų | 86 | 94.5 Ų | 94.5 | 52% | 0.521 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | I256 V257 S264 | I256-V260 HydrophobicContact CG2-CG2 4.18Å; I256-V260 WeakPolarHBondContact O-CB 3.49Å; I256-V260 WeakPolarHBondContact O-CG2 3.35Å; I256-V260 PolarHBondContact O-N 3.27Å; V257-V260 PolarHBondContact O-N 3.49Å; V260-S264 WeakPolarHBondContact O-CB 3.4Å; V260-S264 PolarHBondContact O-N 3.21Å; V260-S264 PolarHBondContact O-OG 3.36Å |
| 261 | L | 76.9 | Confident | 70 | Confident | 110 Ų | 110 | 93.8 Ų | 93.8 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.9 | -40.8 | 174 | -73.8 | 171.1 | 0 | 0 | 0 | 112.1 | V257 L258 I259 S264 L265 | V257-L261 HydrophobicContact CG1-CD1 3.98Å; V257-L261 HydrophobicContact CG1-CG 4.46Å; V257-L261 WeakPolarHBondContact O-CB 3.48Å; V257-L261 VanDerWaalsContact O-CG 3.3Å; V257-L261 WeakPolarHBondContact O-CG 3.33Å; V257-L261 PolarHBondContact O-N 3.47Å; L258-L261 PolarHBondContact O-N 2.94Å; I259-L261 PolarHBondContact O-N 3.48Å; L261-S264 VanDerWaalsContact CA-OG 3.32Å; L261-S264 WeakPolarHBondContact CA-OG 3.19Å; L261-S264 PolarHBondContact O-OG 3.1Å; L261-S264 VanDerWaalsContact O-OG 3.05Å; L261-L265 WeakPolarHBondContact O-CB 3.36Å; L261-L265 PolarHBondContact O-N 2.84Å |
| 262 | A | 76.5 | Confident | 72.1 | Confident | 50 Ų | 50 | 93 Ų | 93 | 41% | 0.413 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -43.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L258 I259 L265 L266 | L258-A262 WeakPolarHBondContact O-CB 3.3Å; L258-A262 PolarHBondContact O-N 3.47Å; I259-A262 PolarHBondContact O-N 2.97Å; A262-L265 PolarHBondContact O-N 3.27Å; A262-L266 WeakPolarHBondContact O-CB 3.43Å; A262-L266 WeakPolarHBondContact O-CG 3.5Å; A262-L266 PolarHBondContact O-N 2.85Å |
| 263 | C | 74.4 | Confident | 73.9 | Confident | 72 Ų | 72 | 90.4 Ų | 90.4 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 176 | -73.3 | 0 | 0 | 0 | 0 | 111.7 | I259 L266 L267 | I259-C263 VanDerWaalsContact O-CB 3.3Å; I259-C263 WeakPolarHBondContact O-CB 3.3Å; I259-C263 PolarHBondContact O-N 3.34Å; I259-C263 PolarHBondContact O-SG 2.86Å; C263-L266 PolarHBondContact O-N 3.27Å; C263-L267 VanDerWaalsContact O-CB 3.31Å; C263-L267 WeakPolarHBondContact O-CB 3.26Å; C263-L267 PolarHBondContact O-N 2.87Å |
| 264 | S | 76.2 | Confident | 75.5 | Confident | 53 Ų | 53 | 91.3 Ų | 91.3 | 37% | 0.371 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.6 | -37.2 | 176.1 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | V260 L261 L267 V268 | V260-S264 WeakPolarHBondContact O-CB 3.4Å; V260-S264 PolarHBondContact O-N 3.21Å; V260-S264 PolarHBondContact O-OG 3.36Å; L261-S264 VanDerWaalsContact CA-OG 3.32Å; L261-S264 WeakPolarHBondContact CA-OG 3.19Å; L261-S264 PolarHBondContact O-OG 3.1Å; L261-S264 VanDerWaalsContact O-OG 3.05Å; S264-L267 PolarHBondContact O-N 3.4Å; S264-V268 VanDerWaalsContact O-CG2 3.27Å; S264-V268 WeakPolarHBondContact O-CG2 3.37Å; S264-V268 PolarHBondContact O-N 2.75Å |
| 265 | L | 81 | Confident | 77 | Confident | 111 Ų | 111 | 91.3 Ų | 91.3 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63 | -45.3 | 171.6 | -171.2 | 72.8 | 0 | 0 | 0 | 111.8 | L261 A262 L267 V268 I269 | L261-L265 WeakPolarHBondContact O-CB 3.36Å; L261-L265 PolarHBondContact O-N 2.84Å; A262-L265 PolarHBondContact O-N 3.27Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 3.08Å; L265-V268 PolarHBondContact O-N 3.36Å; L265-I269 HydrophobicContact CG-CD1 4.07Å; L265-I269 VanDerWaalsContact O-CG1 3.27Å; L265-I269 WeakPolarHBondContact O-CG1 3.14Å; L265-I269 PolarHBondContact O-N 2.84Å |
| 266 | L | 81.3 | Confident | 78.3 | Confident | 119 Ų | 119 | 90.4 Ų | 90.4 | 62% | 0.623 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.3 | -37.6 | 176.1 | -74.4 | 171.5 | 0 | 0 | 0 | 112.3 | A262 C263 I269 G270 | A262-L266 WeakPolarHBondContact O-CB 3.43Å; A262-L266 WeakPolarHBondContact O-CG 3.5Å; A262-L266 PolarHBondContact O-N 2.85Å; C263-L266 PolarHBondContact O-N 3.27Å; L266-I269 PolarHBondContact O-N 3.48Å; L266-G270 PolarHBondContact O-N 3.32Å |
| 267 | L | 79.7 | Confident | 79.5 | Confident | 111 Ų | 111 | 93.5 Ų | 93.5 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.6 | -41.7 | 176.8 | -148 | 160.4 | 0 | 0 | 0 | 110.7 | C263 S264 L265 G270 L271 | C263-L267 VanDerWaalsContact O-CB 3.31Å; C263-L267 WeakPolarHBondContact O-CB 3.26Å; C263-L267 PolarHBondContact O-N 2.87Å; S264-L267 PolarHBondContact O-N 3.4Å; L265-L267 VanDerWaalsContact C-N 3.33Å; L265-L267 PolarHBondContact O-N 3.08Å; L267-G270 PolarHBondContact O-N 3.35Å; L267-L271 HydrophobicContact CD2-CD1 3.62Å; L267-L271 HydrophobicContact CD2-CG 3.98Å; L267-L271 WeakPolarHBondContact O-CB 3.39Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 3.42Å; L267-L271 PolarHBondContact O-N 3.33Å |
| 268 | V | 83.7 | Confident | 80.3 | Confident | 77 Ų | 77 | 93.5 Ų | 93.5 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 173.3 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | S264 L265 L271 I272 | S264-V268 VanDerWaalsContact O-CG2 3.27Å; S264-V268 WeakPolarHBondContact O-CG2 3.37Å; S264-V268 PolarHBondContact O-N 2.75Å; L265-V268 PolarHBondContact O-N 3.36Å; V268-L271 PolarHBondContact O-N 2.84Å; V268-I272 HydrophobicContact CG1-CD1 3.8Å; V268-I272 HydrophobicContact CG1-CG1 4.46Å; V268-I272 WeakPolarHBondContact O-CB 3.39Å; V268-I272 VanDerWaalsContact O-CG1 3.23Å; V268-I272 WeakPolarHBondContact O-CG1 3.31Å; V268-I272 PolarHBondContact O-N 3.2Å |
| 269 | I | 85.8 | Confident | 80.8 | Confident | 77 Ų | 77 | 95 Ų | 95 | 40% | 0.395 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 175 | -68.3 | 165.8 | 0 | 0 | 0 | 110.5 | L265 L266 L271 I272 I273 | L265-I269 HydrophobicContact CG-CD1 4.07Å; L265-I269 VanDerWaalsContact O-CG1 3.27Å; L265-I269 WeakPolarHBondContact O-CG1 3.14Å; L265-I269 PolarHBondContact O-N 2.84Å; L266-I269 PolarHBondContact O-N 3.48Å; I269-L271 PolarHBondContact O-N 3.07Å; I269-I272 PolarHBondContact O-N 2.68Å; I269-I273 HydrophobicContact CG2-CD1 3.87Å; I269-I273 HydrophobicContact CG2-CG1 4.45Å; I269-I273 VanDerWaalsContact O-CG1 3.31Å; I269-I273 WeakPolarHBondContact O-CG1 3.34Å; I269-I273 PolarHBondContact O-N 3.04Å |
| 270 | G | 84.4 | Confident | 81.2 | Confident | 27 Ų | 27 | 99.5 Ų | 99.5 | 28% | 0.278 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L266 L267 I273 I274 | L266-G270 PolarHBondContact O-N 3.32Å; L267-G270 PolarHBondContact O-N 3.35Å; G270-I273 PolarHBondContact O-N 3.45Å; G270-I274 WeakPolarHBondContact O-CB 3.31Å; G270-I274 VanDerWaalsContact O-CG1 3.3Å; G270-I274 WeakPolarHBondContact O-CG1 3.3Å; G270-I274 PolarHBondContact O-N 3.19Å |
| 271 | L | 87.6 | Confident | 81.3 | Confident | 101 Ų | 101 | 101.7 Ų | 101.7 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 174.6 | -72.7 | 172.4 | 0 | 0 | 0 | 112.2 | L267 V268 I269 Y275 | L267-L271 HydrophobicContact CD2-CD1 3.62Å; L267-L271 HydrophobicContact CD2-CG 3.98Å; L267-L271 WeakPolarHBondContact O-CB 3.39Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 3.42Å; L267-L271 PolarHBondContact O-N 3.33Å; V268-L271 PolarHBondContact O-N 2.84Å; I269-L271 PolarHBondContact O-N 3.07Å; L271-Y275 WeakPolarHBondContact O-CB 3.43Å; L271-Y275 PolarHBondContact O-N 3.01Å |
| 272 | I | 87 | Confident | 80.9 | Confident | 89 Ų | 89 | 103.4 Ų | 103.4 | 46% | 0.456 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 174.4 | -70 | 165.5 | 0 | 0 | 0 | 110.8 | V268 I269 Y275 N276 | V268-I272 HydrophobicContact CG1-CD1 3.8Å; V268-I272 HydrophobicContact CG1-CG1 4.46Å; V268-I272 WeakPolarHBondContact O-CB 3.39Å; V268-I272 VanDerWaalsContact O-CG1 3.23Å; V268-I272 WeakPolarHBondContact O-CG1 3.31Å; V268-I272 PolarHBondContact O-N 3.2Å; I269-I272 PolarHBondContact O-N 2.68Å; I272-Y275 PolarHBondContact O-N 3.3Å; I272-N276 VanDerWaalsContact O-CB 3.3Å; I272-N276 WeakPolarHBondContact O-CB 3.41Å; I272-N276 PolarHBondContact O-N 3.28Å; I272-N276 PolarHBondContact O-ND2 2.85Å |
| 273 | I | 86.9 | Confident | 80.2 | Confident | 105 Ų | 105 | 103.3 Ų | 103.3 | 54% | 0.538 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 176.2 | -68.4 | 167.4 | 0 | 0 | 0 | 110.3 | I269 G270 Y275 N276 Y277 | I269-I273 HydrophobicContact CG2-CD1 3.87Å; I269-I273 HydrophobicContact CG2-CG1 4.45Å; I269-I273 VanDerWaalsContact O-CG1 3.31Å; I269-I273 WeakPolarHBondContact O-CG1 3.34Å; I269-I273 PolarHBondContact O-N 3.04Å; G270-I273 PolarHBondContact O-N 3.45Å; I273-Y275 PolarHBondContact O-N 3.37Å; I273-N276 PolarHBondContact O-N 3.12Å; I273-Y277 WeakPolarHBondContact O-CB 3.47Å; I273-Y277 PolarHBondContact O-N 2.98Å |
| 274 | I | 85.9 | Confident | 79.5 | Confident | 96 Ų | 96 | 104.3 Ų | 104.3 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 176.8 | -68.8 | 167.5 | 0 | 0 | 0 | 110.6 | G270 N276 Y277 I278 | G270-I274 WeakPolarHBondContact O-CB 3.31Å; G270-I274 VanDerWaalsContact O-CG1 3.3Å; G270-I274 WeakPolarHBondContact O-CG1 3.3Å; G270-I274 PolarHBondContact O-N 3.19Å; I274-N276 PolarHBondContact O-N 2.81Å; I274-Y277 PolarHBondContact O-N 3.47Å; I274-I278 HydrophobicContact CG2-CD1 3.65Å; I274-I278 HydrophobicContact CG2-CG1 4.25Å; I274-I278 WeakPolarHBondContact O-CB 3.34Å; I274-I278 VanDerWaalsContact O-CG1 3.3Å; I274-I278 WeakPolarHBondContact O-CG1 3.47Å; I274-I278 PolarHBondContact O-N 2.95Å |
| 275 | Y | 86.1 | Confident | 78.6 | Confident | 149 Ų | 149 | 106.4 Ų | 106.4 | 58% | 0.584 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.3 | -45.1 | 176.1 | 176.3 | -101 | 0 | 0 | 0 | 111.6 | L271 I272 I273 Y277 I278 R279 | L271-Y275 WeakPolarHBondContact O-CB 3.43Å; L271-Y275 PolarHBondContact O-N 3.01Å; I272-Y275 PolarHBondContact O-N 3.3Å; I273-Y275 PolarHBondContact O-N 3.37Å; Y275-Y277 VanDerWaalsContact C-N 3.34Å; Y275-I278 PolarHBondContact O-N 3.3Å; Y275-R279 WeakPolarHBondContact O-CB 3.45Å; Y275-R279 PolarHBondContact O-N 2.95Å |
| 276 | N | 83.4 | Confident | 77.3 | Confident | 71 Ų | 71 | 108.6 Ų | 108.6 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.6 | -35.4 | 176 | -77.6 | -34 | 0 | 0 | 0 | 112.3 | I272 I273 I274 R280 | I272-N276 VanDerWaalsContact O-CB 3.3Å; I272-N276 WeakPolarHBondContact O-CB 3.41Å; I272-N276 PolarHBondContact O-N 3.28Å; I272-N276 PolarHBondContact O-ND2 2.85Å; I273-N276 PolarHBondContact O-N 3.12Å; I274-N276 PolarHBondContact O-N 2.81Å; N276-R280 VanDerWaalsContact O-CB 3.32Å; N276-R280 WeakPolarHBondContact O-CB 3.45Å; N276-R280 WeakPolarHBondContact O-CG 3.41Å; N276-R280 PolarHBondContact O-N 2.82Å |
| 277 | Y | 82.8 | Confident | 75.8 | Confident | 157 Ų | 157 | 106 Ų | 106 | 62% | 0.616 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.1 | -50.4 | 173.8 | 179.4 | -94.8 | 0 | 0 | 0 | 111.3 | I273 I274 Y275 R279 R280 Y281 | I273-Y277 WeakPolarHBondContact O-CB 3.47Å; I273-Y277 PolarHBondContact O-N 2.98Å; I274-Y277 PolarHBondContact O-N 3.47Å; Y275-Y277 VanDerWaalsContact C-N 3.34Å; Y277-R279 VanDerWaalsContact C-N 3.31Å; Y277-R279 PolarHBondContact O-N 3.46Å; Y277-R280 PolarHBondContact O-N 3.38Å; Y277-Y281 VanDerWaalsContact O-CB 3.29Å; Y277-Y281 WeakPolarHBondContact O-CB 3.29Å; Y277-Y281 PolarHBondContact O-N 3.4Å |
| 278 | I | 80.1 | Confident | 74.5 | Confident | 81 Ų | 81 | 106.1 Ų | 106.1 | 42% | 0.415 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 176.1 | -66.9 | 170.6 | 0 | 0 | 0 | 110.6 | I274 Y275 Y281 K282 | I274-I278 HydrophobicContact CG2-CD1 3.65Å; I274-I278 HydrophobicContact CG2-CG1 4.25Å; I274-I278 WeakPolarHBondContact O-CB 3.34Å; I274-I278 VanDerWaalsContact O-CG1 3.3Å; I274-I278 WeakPolarHBondContact O-CG1 3.47Å; I274-I278 PolarHBondContact O-N 2.95Å; Y275-I278 PolarHBondContact O-N 3.3Å; I278-Y281 PolarHBondContact O-N 3.16Å; I278-K282 HydrophobicContact CG2-CD 4.29Å; I278-K282 HydrophobicContact CG2-CG 4.4Å; I278-K282 WeakPolarHBondContact O-CB 3.43Å; I278-K282 WeakPolarHBondContact O-CG 3.31Å; I278-K282 PolarHBondContact O-N 3.49Å |
| 279 | R | 78.2 | Confident | 73.1 | Confident | 158 Ų | 158 | 108.5 Ų | 108.5 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -43.6 | 176.2 | -176.6 | -179.3 | 173.3 | -163.7 | -0.5 | 111.3 | Y275 Y277 A283 | Y275-R279 WeakPolarHBondContact O-CB 3.45Å; Y275-R279 PolarHBondContact O-N 2.95Å; Y277-R279 VanDerWaalsContact C-N 3.31Å; Y277-R279 PolarHBondContact O-N 3.46Å; R279-A283 WeakPolarHBondContact O-CB 3.46Å; R279-A283 PolarHBondContact O-N 2.94Å |
| 280 | R | 76 | Confident | 72.1 | Confident | 189 Ų | 189 | 109 Ų | 109 | 71% | 0.713 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.7 | -43.4 | 172.9 | -84.6 | -176.7 | 172.4 | 174.6 | -1.1 | 111.7 | N276 Y277 A283 N284 | N276-R280 VanDerWaalsContact O-CB 3.32Å; N276-R280 WeakPolarHBondContact O-CB 3.45Å; N276-R280 WeakPolarHBondContact O-CG 3.41Å; N276-R280 PolarHBondContact O-N 2.82Å; Y277-R280 PolarHBondContact O-N 3.38Å; R280-A283 PolarHBondContact O-N 2.93Å; R280-N284 WeakPolarHBondContact O-CB 3.38Å; R280-N284 VanDerWaalsContact O-CG 3.25Å; R280-N284 PolarHBondContact O-N 2.92Å |
| 281 | Y | 72.6 | Confident | 71.6 | Confident | 133 Ų | 133 | 108 Ų | 108 | 52% | 0.522 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 177.7 | -176.2 | -95.5 | 0 | 0 | 0 | 111.4 | Y277 I278 A283 N284 K285 | Y277-Y281 VanDerWaalsContact O-CB 3.29Å; Y277-Y281 WeakPolarHBondContact O-CB 3.29Å; Y277-Y281 PolarHBondContact O-N 3.4Å; I278-Y281 PolarHBondContact O-N 3.16Å; Y281-A283 PolarHBondContact O-N 3.19Å; Y281-N284 PolarHBondContact O-N 2.94Å; Y281-K285 HydrophobicContact CE1-CD 4.46Å; Y281-K285 WeakPolarHBondContact O-CB 3.36Å; Y281-K285 PolarHBondContact O-N 2.85Å |
| 282 | K | 70.4 | Confident | 71.3 | Confident | 146 Ų | 146 | 106.5 Ų | 106.5 | 64% | 0.635 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.8 | -38.8 | 173.7 | -77.3 | -173.4 | 177.2 | -176.7 | 0 | 112.4 | I278 K286 | I278-K282 HydrophobicContact CG2-CD 4.29Å; I278-K282 HydrophobicContact CG2-CG 4.4Å; I278-K282 WeakPolarHBondContact O-CB 3.43Å; I278-K282 WeakPolarHBondContact O-CG 3.31Å; I278-K282 PolarHBondContact O-N 3.49Å; K282-K286 WeakPolarHBondContact O-CB 3.35Å; K282-K286 PolarHBondContact O-N 3.36Å |
| 283 | A | 61.5 | Low | 71.2 | Confident | 48 Ų | 48 | 103.5 Ų | 103.5 | 40% | 0.397 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R279 R280 Y281 I287 | R279-A283 WeakPolarHBondContact O-CB 3.46Å; R279-A283 PolarHBondContact O-N 2.94Å; R280-A283 PolarHBondContact O-N 2.93Å; Y281-A283 PolarHBondContact O-N 3.19Å; A283-I287 WeakPolarHBondContact O-CB 3.32Å; A283-I287 WeakPolarHBondContact O-CD1 3.33Å; A283-I287 WeakPolarHBondContact O-CG1 3.44Å; A283-I287 PolarHBondContact O-N 3.4Å |
| 284 | N | 58.8 | Low | 70.9 | Confident | 93 Ų | 93 | 102.5 Ų | 102.5 | 50% | 0.497 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 177.2 | -71.9 | -5.6 | 0 | 0 | 0 | 111.9 | R280 Y281 K286 I287 E288 | R280-N284 WeakPolarHBondContact O-CB 3.38Å; R280-N284 VanDerWaalsContact O-CG 3.25Å; R280-N284 PolarHBondContact O-N 2.92Å; Y281-N284 PolarHBondContact O-N 2.94Å; N284-K286 PolarHBondContact O-N 3.49Å; N284-I287 WeakPolarHBondContact O-CA 3.31Å; N284-I287 VanDerWaalsContact O-CB 3.31Å; N284-I287 WeakPolarHBondContact O-CB 3.48Å; N284-I287 PolarHBondContact O-N 3.38Å; N284-I287 VanDerWaalsContact O-N 3.12Å; N284-E288 PolarHBondContact O-N 2.75Å |
| 285 | K | 57.7 | Low | 70.6 | Confident | 97 Ų | 97 | 101.2 Ų | 101.2 | 42% | 0.422 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 176.4 | -166.9 | 176.1 | -179.7 | 177.3 | 0 | 112.4 | Y281 I287 E288 E289 | Y281-K285 HydrophobicContact CE1-CD 4.46Å; Y281-K285 WeakPolarHBondContact O-CB 3.36Å; Y281-K285 PolarHBondContact O-N 2.85Å; K285-I287 PolarHBondContact O-N 3.12Å; K285-E288 PolarHBondContact O-N 2.82Å; K285-E289 WeakPolarHBondContact CE-OE1 3.29Å; K285-E289 PolarHBondContact O-N 3.27Å; K285-E289 VanDerWaalsContact O-N 3.16Å |
| 286 | K | 52.9 | Low | 70.3 | Confident | 157 Ų | 157 | 97.6 Ų | 97.6 | 68% | 0.683 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.9 | -27.9 | 174 | -161.2 | 175.4 | -172.5 | -178.7 | 0 | 112.1 | K282 N284 T290 | K282-K286 WeakPolarHBondContact O-CB 3.35Å; K282-K286 PolarHBondContact O-N 3.36Å; N284-K286 PolarHBondContact O-N 3.49Å; K286-T290 WeakPolarHBondContact O-CG2 3.31Å |
| 287 | I | 50 | Low | 70.3 | Confident | 65 Ų | 65 | 99.6 Ų | 99.6 | 33% | 0.333 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71 | -42.5 | 172.1 | -78.8 | 165.4 | 0 | 0 | 0 | 110.4 | A283 N284 K285 E289 T290 W349 | A283-I287 WeakPolarHBondContact O-CB 3.32Å; A283-I287 WeakPolarHBondContact O-CD1 3.33Å; A283-I287 WeakPolarHBondContact O-CG1 3.44Å; A283-I287 PolarHBondContact O-N 3.4Å; N284-I287 WeakPolarHBondContact O-CA 3.31Å; N284-I287 VanDerWaalsContact O-CB 3.31Å; N284-I287 WeakPolarHBondContact O-CB 3.48Å; N284-I287 PolarHBondContact O-N 3.38Å; N284-I287 VanDerWaalsContact O-N 3.12Å; K285-I287 PolarHBondContact O-N 3.12Å; I287-E289 VanDerWaalsContact C-N 3.33Å; I287-E289 PolarHBondContact O-N 3.25Å; I287-T290 PolarHBondContact O-N 2.86Å; I287-T290 PolarHBondContact O-OG1 3.42Å; I287-T290 VanDerWaalsContact O-OG1 3.05Å; I287-W349 HydrophobicContact CB-CH2 4.5Å; I287-W349 HydrophobicContact CB-CZ2 4.47Å; I287-W349 HydrophobicContact CG2-CD2 4.31Å; I287-W349 HydrophobicContact CG2-CE3 4.39Å; I287-W349 HydrophobicContact CG2-CH2 3.32Å; I287-W349 HydrophobicContact CG2-CZ2 3.11Å; I287-W349 HydrophobicContact CG2-CZ3 3.94Å |
| 288 | E | 52 | Low | 70.4 | Confident | 112 Ų | 112 | 93.3 Ų | 93.3 | 52% | 0.523 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.7 | -31.6 | 178.7 | -76.5 | 170.2 | 179.7 | 0 | 0 | 113.7 | N284 K285 W291 | N284-E288 PolarHBondContact O-N 2.75Å; K285-E288 PolarHBondContact O-N 2.82Å; E288-W291 VanDerWaalsContact O-CD1 3.26Å; E288-W291 PolarHBondContact O-NE1 3.26Å |
| 289 | E | 56.1 | Low | 70.6 | Confident | 127 Ų | 127 | 96.2 Ų | 96.2 | 59% | 0.593 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -9.3 | -178 | -71.3 | 172 | -173.5 | 0 | 0 | 114.6 | K285 I287 | K285-E289 WeakPolarHBondContact CE-OE1 3.29Å; K285-E289 PolarHBondContact O-N 3.27Å; K285-E289 VanDerWaalsContact O-N 3.16Å; I287-E289 VanDerWaalsContact C-N 3.33Å; I287-E289 PolarHBondContact O-N 3.25Å |
| 290 | T | 63.1 | Low | 70.6 | Confident | 89 Ų | 89 | 94.4 Ų | 94.4 | 55% | 0.546 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -91.2 | -13.6 | -171.5 | 54 | 0 | 0 | 0 | 0 | 115.6 | K286 I287 | K286-T290 WeakPolarHBondContact O-CG2 3.31Å; I287-T290 PolarHBondContact O-N 2.86Å; I287-T290 PolarHBondContact O-OG1 3.42Å; I287-T290 VanDerWaalsContact O-OG1 3.05Å |
| 291 | W | 74.3 | Confident | 70.3 | Confident | 6 Ų | 6 | 87 Ų | 87 | 2% | 0.023 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -103.6 | -19.9 | -176.2 | 62.4 | -91.3 | 0 | 0 | 0 | 113.8 | E288 L293 L340 Q345 L348 W349 K352 G364 V365 | E288-W291 VanDerWaalsContact O-CD1 3.26Å; E288-W291 PolarHBondContact O-NE1 3.26Å; W291-L293 PolarHBondContact O-N 2.79Å; W291-L340 HydrophobicContact CH2-CD1 4.4Å; W291-Q345 HydrophobicContact CH2-CB 3.99Å; W291-Q345 HydrophobicContact CH2-CG 3.88Å; W291-Q345 HydrophobicContact CZ2-CB 3.83Å; W291-Q345 HydrophobicContact CZ2-CG 4Å; W291-L348 HydrophobicContact CE3-CB 4.38Å; W291-L348 HydrophobicContact CH2-CB 4.19Å; W291-L348 HydrophobicContact CH2-CD1 4.02Å; W291-L348 HydrophobicContact CZ3-CB 3.86Å; W291-L348 HydrophobicContact CZ3-CD1 3.75Å; W291-L348 HydrophobicContact CZ3-CG 4.34Å; W291-W349 HydrophobicContact CB-CE3 4.46Å; W291-W349 HydrophobicContact CB-CZ3 4.48Å; W291-W349 AromaticContact CD1-CE3 3.65Å; W291-W349 AromaticContact CD1-CZ3 3.98Å; W291-W349 HydrophobicContact CG-CE3 4.11Å; W291-W349 HydrophobicContact CG-CZ3 4.47Å; W291-K352 HydrophobicContact CB-CD 3.23Å; W291-K352 VanDerWaalsContact CB-CE 3.41Å; W291-K352 HydrophobicContact CG-CD 4.17Å; W291-G364 CarbonylContact O-C 3.58Å; W291-G364 WeakPolarHBondContact O-CA 3.32Å; W291-V365 HydrophobicContact CE3-CG2 3.83Å; W291-V365 HydrophobicContact CZ3-CG2 3.49Å; W291-V365 VanDerWaalsContact CZ3-CG2 3.49Å; W291-V365 PolarHBondContact O-N 3.09Å |
| 292 | V | 81.9 | Confident | 69.9 | Low | 68 Ų | 68 | 85.7 Ų | 85.7 | 41% | 0.412 | 44% | 0.441 | S | S | . | . | B | Isolated β-bridge | trans | -76.7 | 111.6 | 162.3 | -176.3 | 0 | 0 | 0 | 0 | 106.4 | V365 | V292-V365 CarbonylContact C-O 3.6Å; V292-V365 WeakPolarHBondContact CA-O 3.34Å |
| 293 | L | 84.1 | Confident | 69.3 | Low | 26 Ų | 26 | 82.7 Ų | 82.7 | 14% | 0.136 | 44% | 0.436 | C | S | . | . | trans | -76.1 | 139.7 | -177.3 | -64.6 | 165.8 | 0 | 0 | 0 | 109 | W291 P295 I298 I323 V365 T366 Y375 | W291-L293 PolarHBondContact O-N 2.79Å; L293-P295 VanDerWaalsContact O-CD 3.31Å; L293-P295 WeakPolarHBondContact O-CD 3.36Å; L293-I298 HydrophobicContact CB-CD1 4.07Å; L293-I298 HydrophobicContact CD1-CD1 4.49Å; L293-I323 HydrophobicContact CD1-CD1 3.58Å; L293-I323 HydrophobicContact CD2-CD1 4.41Å; L293-V365 PolarHBondContact N-O 3.19Å; L293-T366 HydrophobicContact CB-CG2 3.94Å; L293-T366 WeakPolarHBondContact O-CG2 3.19Å; L293-Y375 HydrophobicContact CD1-CD1 4.44Å; L293-Y375 HydrophobicContact CD1-CD2 3.52Å; L293-Y375 HydrophobicContact CD1-CE2 4.25Å; L293-Y375 HydrophobicContact CD1-CG 3.63Å | ||
| 294 | D | 80.6 | Confident | 68.9 | Low | 84 Ų | 84 | 87.5 Ų | 87.5 | 45% | 0.449 | 45% | 0.451 | S | S | . | . | trans | -73.9 | 116.9 | 170.7 | -179.5 | -4.2 | 0 | 0 | 0 | 108.5 | A296 K297 | D294-A296 PolarHBondContact O-N 3.49Å; D294-A296 WeakPolarHBondContact OD1-CB 3.45Å; D294-A296 PolarHBondContact OD1-N 3.29Å; D294-K297 HydrophobicContact CB-CD 4.22Å; D294-K297 HydrophobicContact CB-CG 4.18Å; D294-K297 PolarHBondContact O-N 3.03Å | ||
| 295 | P | 80.9 | Confident | 68.9 | Low | 70 Ų | 70 | 87 Ų | 87 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -54.9 | -27.3 | 179.3 | -24.9 | 34.9 | 0 | 0 | 0 | 113.2 | L293 K297 I298 T366 | L293-P295 VanDerWaalsContact O-CD 3.31Å; L293-P295 WeakPolarHBondContact O-CD 3.36Å; P295-K297 PolarHBondContact O-N 2.79Å; P295-I298 PolarHBondContact O-N 2.79Å; P295-T366 HydrophobicContact CG-CG2 4.22Å |
| 296 | A | 80 | Confident | 68.6 | Low | 73 Ų | 73 | 92.3 Ų | 92.3 | 60% | 0.603 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -67.4 | -14.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D294 | D294-A296 PolarHBondContact O-N 3.49Å; D294-A296 WeakPolarHBondContact OD1-CB 3.45Å; D294-A296 PolarHBondContact OD1-N 3.29Å |
| 297 | K | 81.5 | Confident | 68.7 | Low | 112 Ų | 112 | 89.6 Ų | 89.6 | 49% | 0.487 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -98.3 | 2.8 | 178 | -61.3 | -175.9 | -177.3 | 178.7 | 0 | 113.5 | D294 P295 Y299 | D294-K297 HydrophobicContact CB-CD 4.22Å; D294-K297 HydrophobicContact CB-CG 4.18Å; D294-K297 PolarHBondContact O-N 3.03Å; P295-K297 PolarHBondContact O-N 2.79Å; K297-Y299 WeakPolarHBondContact O-CD2 3.11Å; K297-Y299 WeakPolarHBondContact O-CE2 3.34Å |
| 298 | I | 85 | Confident | 68.8 | Low | 25 Ų | 25 | 86.9 Ų | 86.9 | 13% | 0.128 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 118.3 | -175.4 | -50.6 | -176.6 | 0 | 0 | 0 | 107.7 | L293 P295 K321 M322 I323 T366 Y375 | L293-I298 HydrophobicContact CB-CD1 4.07Å; L293-I298 HydrophobicContact CD1-CD1 4.49Å; P295-I298 PolarHBondContact O-N 2.79Å; I298-K321 HydrophobicContact CG2-CB 3.91Å; I298-K321 HydrophobicContact CG2-CD 4.42Å; I298-K321 HydrophobicContact CG2-CG 4.17Å; I298-M322 WeakPolarHBondContact CA-O 3.45Å; I298-I323 HydrophobicContact CD1-CD1 4.44Å; I298-I323 HydrophobicContact CG1-CD1 4.27Å; I298-I323 HydrophobicContact CG1-CG1 4.18Å; I298-I323 HydrophobicContact CG2-CG1 4.39Å; I298-T366 HydrophobicContact CD1-CG2 3.59Å; I298-Y375 HydrophobicContact CD1-CD1 4.46Å; I298-Y375 HydrophobicContact CD1-CE1 3.71Å; I298-Y375 HydrophobicContact CD1-CE2 3.92Å; I298-Y375 WeakPolarHBondContact CD1-OH 3.42Å; I298-Y375 HydrophobicContact CG2-CE1 3.72Å |
| 299 | Y | 84.4 | Confident | 68.7 | Low | 142 Ų | 142 | 87.7 Ų | 87.7 | 56% | 0.557 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 142.6 | -177 | -54.3 | -88.5 | 0 | 0 | 0 | 110.7 | K297 M322 | K297-Y299 WeakPolarHBondContact O-CD2 3.11Å; K297-Y299 WeakPolarHBondContact O-CE2 3.34Å; Y299-M322 PolarHBondContact N-O 3.48Å; Y299-M322 PolarHBondContact O-N 2.9Å |
| 300 | D | 79 | Confident | 68.6 | Low | 120 Ų | 120 | 85.4 Ų | 85.4 | 64% | 0.642 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 142.5 | 170.2 | -69.2 | -9.8 | 0 | 0 | 0 | 109.7 | K321 | D300-K321 VanDerWaalsContact CG-NZ 3.33Å; D300-K321 WeakPolarHBondContact OD1-CD 3.16Å; D300-K321 WeakPolarHBondContact OD1-CE 3.41Å; D300-K321 IonicContact OD1-NZ 2.83Å; D300-K321 PolarHBondContact OD1-NZ 3.09Å; D300-K321 IonicContact OD2-NZ 2.7Å |
| 301 | I | 70.1 | Confident | 68.2 | Low | 34 Ų | 34 | 81.7 Ų | 81.7 | 17% | 0.174 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -97.3 | 133.2 | 174.2 | -42.1 | -171.7 | 0 | 0 | 0 | 108.1 | P303 W307 I308 L320 M322 | I301-P303 WeakPolarHBondContact O-CD 3.23Å; I301-W307 HydrophobicContact CD1-CH2 3.89Å; I301-W307 HydrophobicContact CD1-CZ2 4.12Å; I301-W307 HydrophobicContact CG2-CZ2 4.01Å; I301-I308 HydrophobicContact CB-CD1 3.69Å; I301-I308 HydrophobicContact CG2-CD1 3.29Å; I301-I308 HydrophobicContact CG2-CG1 4.41Å; I301-L320 HydrophobicContact CD1-CB 4.43Å; I301-L320 HydrophobicContact CD1-CD2 3.65Å; I301-L320 HydrophobicContact CD1-CG 3.62Å; I301-M322 HydrophobicContact CD1-CG 3.38Å; I301-M322 HydrophobicContact CD1-SD 3.69Å; I301-M322 HydrophobicContact CG1-CG 3.46Å; I301-M322 VanDerWaalsContact CG1-CG 3.46Å; I301-M322 HydrophobicContact CG1-SD 4.43Å |
| 302 | D | 63.2 | Low | 67.1 | Low | 105 Ų | 105 | 85.7 Ų | 85.7 | 56% | 0.561 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 118.6 | -177.9 | -170.5 | -19.5 | 0 | 0 | 0 | 111.4 | E304 D305 I308 | D302-E304 PolarHBondContact O-N 2.85Å; D302-E304 VanDerWaalsContact O-N 3.08Å; D302-E304 PolarHBondContact OD1-N 3.45Å; D302-E304 VanDerWaalsContact OD1-N 3.15Å; D302-D305 PolarHBondContact O-N 2.79Å; D302-D305 VanDerWaalsContact O-N 3.12Å; D302-I308 WeakPolarHBondContact O-CD1 3.49Å |
| 303 | P | 57.9 | Low | 65.6 | Low | 83 Ų | 83 | 92.2 Ų | 92.2 | 54% | 0.539 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -13.2 | -176.5 | 24.7 | -34.6 | 0 | 0 | 0 | 115.1 | I301 D305 | I301-P303 WeakPolarHBondContact O-CD 3.23Å; P303-D305 PolarHBondContact O-N 3.5Å |
| 304 | E | 54.1 | Low | 64.1 | Low | 149 Ų | 149 | 93.2 Ų | 93.2 | 70% | 0.696 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -21.7 | 173.3 | -76.2 | -89.2 | 124.2 | 0 | 0 | 112.5 | D302 R306 | D302-E304 PolarHBondContact O-N 2.85Å; D302-E304 VanDerWaalsContact O-N 3.08Å; D302-E304 PolarHBondContact OD1-N 3.45Å; D302-E304 VanDerWaalsContact OD1-N 3.15Å; E304-R306 PolarHBondContact O-N 2.88Å |
| 305 | D | 58.1 | Low | 62.9 | Low | 82 Ų | 82 | 90.8 Ų | 90.8 | 44% | 0.439 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -70.7 | 125.2 | -174.6 | -151 | -18.9 | 0 | 0 | 0 | 112 | D302 P303 W307 I308 | D302-D305 PolarHBondContact O-N 2.79Å; D302-D305 VanDerWaalsContact O-N 3.12Å; P303-D305 PolarHBondContact O-N 3.5Å; D305-W307 PolarHBondContact O-N 3.22Å; D305-W307 VanDerWaalsContact O-N 3.08Å; D305-W307 PolarHBondContact OD1-NE1 2.8Å; D305-W307 PolarHBondContact OD2-NE1 2.89Å; D305-I308 HydrophobicContact CB-CD1 3.87Å; D305-I308 HydrophobicContact CB-CG1 4.18Å; D305-I308 WeakPolarHBondContact O-CB 3.27Å; D305-I308 PolarHBondContact O-N 3.34Å |
| 306 | R | 50.5 | Low | 61.5 | Low | 210 Ų | 210 | 93.5 Ų | 93.5 | 79% | 0.792 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -60.6 | -30.9 | -162.6 | -158.8 | 178.5 | -170.3 | -176.5 | 3.8 | 112.9 | E304 I308 | E304-R306 PolarHBondContact O-N 2.88Å; R306-I308 VanDerWaalsContact C-N 3.35Å |
| 307 | W | 55.5 | Low | 60.8 | Low | 100 Ų | 100 | 95 Ų | 95 | 38% | 0.379 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.9 | -30.1 | 176.8 | 64.8 | -66.9 | 0 | 0 | 0 | 112.9 | I301 D305 L310 F311 L320 P327 F378 | I301-W307 HydrophobicContact CD1-CH2 3.89Å; I301-W307 HydrophobicContact CD1-CZ2 4.12Å; I301-W307 HydrophobicContact CG2-CZ2 4.01Å; D305-W307 PolarHBondContact O-N 3.22Å; D305-W307 VanDerWaalsContact O-N 3.08Å; D305-W307 PolarHBondContact OD1-NE1 2.8Å; D305-W307 PolarHBondContact OD2-NE1 2.89Å; W307-L310 WeakPolarHBondContact O-CB 3.33Å; W307-L310 PolarHBondContact O-N 3.32Å; W307-F311 PolarHBondContact O-N 3.38Å; W307-L320 HydrophobicContact CE3-CD2 4.22Å; W307-L320 HydrophobicContact CH2-CD2 3.69Å; W307-L320 HydrophobicContact CZ2-CD2 4.37Å; W307-L320 HydrophobicContact CZ3-CD2 3.61Å; W307-P327 HydrophobicContact CH2-CB 4.39Å; W307-F378 HydrophobicContact CZ3-CE1 4.11Å |
| 308 | I | 52.8 | Low | 60.5 | Low | 7 Ų | 7 | 91.3 Ų | 91.3 | 4% | 0.036 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -75.1 | -40.1 | -178.6 | -54.6 | 176.3 | 0 | 0 | 0 | 110.9 | I301 D302 D305 R306 L310 F311 L312 L320 | I301-I308 HydrophobicContact CB-CD1 3.69Å; I301-I308 HydrophobicContact CG2-CD1 3.29Å; I301-I308 HydrophobicContact CG2-CG1 4.41Å; D302-I308 WeakPolarHBondContact O-CD1 3.49Å; D305-I308 HydrophobicContact CB-CD1 3.87Å; D305-I308 HydrophobicContact CB-CG1 4.18Å; D305-I308 WeakPolarHBondContact O-CB 3.27Å; D305-I308 PolarHBondContact O-N 3.34Å; R306-I308 VanDerWaalsContact C-N 3.35Å; I308-L310 PolarHBondContact O-N 2.88Å; I308-F311 CarbonylContact O-C 3.54Å; I308-F311 WeakPolarHBondContact O-CA 3.27Å; I308-F311 PolarHBondContact O-N 2.93Å; I308-L312 HydrophobicContact CG2-CD1 3.82Å; I308-L312 HydrophobicContact CG2-CG 3.98Å; I308-L312 WeakPolarHBondContact O-CG 3.32Å; I308-L312 PolarHBondContact O-N 2.94Å; I308-L320 HydrophobicContact CG1-CD2 4.21Å |
| 309 | K | 50 | Low | 60.3 | Low | 130 Ų | 130 | 91.9 Ų | 91.9 | 57% | 0.565 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -55.5 | -40 | 171.9 | -78.3 | -178.3 | 179.6 | 168.1 | 0 | 111.4 | Y313 | K309-Y313 WeakPolarHBondContact O-CB 3.34Å; K309-Y313 PolarHBondContact O-N 3Å |
| 310 | L | 52.8 | Low | 60.2 | Low | 79 Ų | 79 | 85.7 Ų | 85.7 | 41% | 0.414 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.7 | -38.9 | 174.2 | -86.1 | 142 | 0 | 0 | 0 | 112.2 | W307 I308 R314 | W307-L310 WeakPolarHBondContact O-CB 3.33Å; W307-L310 PolarHBondContact O-N 3.32Å; I308-L310 PolarHBondContact O-N 2.88Å; L310-R314 WeakPolarHBondContact O-CD 2.95Å; L310-R314 WeakPolarHBondContact O-CG 3.12Å; L310-R314 PolarHBondContact O-NE 2.88Å; L310-R314 VanDerWaalsContact O-NE 3.16Å |
| 311 | F | 55.2 | Low | 60.7 | Low | 11 Ų | 11 | 81.6 Ų | 81.6 | 5% | 0.048 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68 | -47.9 | 176.3 | 170.7 | -111.4 | 0 | 0 | 0 | 113.4 | W307 I308 Y313 R314 S315 C318 L320 F378 | W307-F311 PolarHBondContact O-N 3.38Å; I308-F311 CarbonylContact O-C 3.54Å; I308-F311 WeakPolarHBondContact O-CA 3.27Å; I308-F311 PolarHBondContact O-N 2.93Å; F311-Y313 PolarHBondContact O-N 3.03Å; F311-R314 WeakPolarHBondContact O-CA 3.46Å; F311-R314 WeakPolarHBondContact O-CB 3.24Å; F311-R314 PolarHBondContact O-N 3.36Å; F311-S315 PolarHBondContact O-N 3.3Å; F311-S315 VanDerWaalsContact O-N 3.15Å; F311-C318 HydrophobicContact CZ-CB 4.43Å; F311-L320 HydrophobicContact CD1-CB 3.9Å; F311-L320 HydrophobicContact CD1-CD2 4.39Å; F311-L320 HydrophobicContact CE1-CB 3.79Å; F311-L320 HydrophobicContact CE1-CD1 4.36Å; F311-F378 HydrophobicContact CB-CZ 4.39Å; F311-F378 HydrophobicContact CD1-CE2 4.47Å; F311-F378 HydrophobicContact CD2-CD2 4.33Å; F311-F378 AromaticContact CD2-CE2 3.23Å; F311-F378 HydrophobicContact CD2-CE2 3.23Å; F311-F378 AromaticContact CD2-CZ 3.67Å; F311-F378 HydrophobicContact CD2-CZ 3.67Å; F311-F378 HydrophobicContact CE1-CE2 4.44Å; F311-F378 AromaticContact CE2-CD2 3.94Å; F311-F378 HydrophobicContact CE2-CD2 3.94Å; F311-F378 AromaticContact CE2-CE2 3.22Å; F311-F378 HydrophobicContact CE2-CE2 3.22Å; F311-F378 HydrophobicContact CE2-CZ 4.13Å; F311-F378 AromaticContact CG-CE2 3.89Å; F311-F378 HydrophobicContact CG-CE2 3.89Å; F311-F378 AromaticContact CG-CZ 3.99Å; F311-F378 HydrophobicContact CG-CZ 3.99Å; F311-F378 HydrophobicContact CZ-CD2 4.23Å; F311-F378 AromaticContact CZ-CE2 3.85Å; F311-F378 HydrophobicContact CZ-CE2 3.85Å |
| 312 | L | 51.9 | Low | 61.5 | Low | 89 Ų | 89 | 82.3 Ų | 82.3 | 47% | 0.466 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.2 | -32.6 | -179.6 | -70.2 | 172.9 | 0 | 0 | 0 | 111.8 | I308 R314 | I308-L312 HydrophobicContact CG2-CD1 3.82Å; I308-L312 HydrophobicContact CG2-CG 3.98Å; I308-L312 WeakPolarHBondContact O-CG 3.32Å; I308-L312 PolarHBondContact O-N 2.94Å; L312-R314 PolarHBondContact O-N 3.05Å |
| 313 | Y | 49.7 | Very low | 62.6 | Low | 206 Ų | 206 | 78 Ų | 78 | 81% | 0.808 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -19.7 | 173.3 | -160.3 | -92.8 | 0 | 0 | 0 | 113.2 | K309 F311 | K309-Y313 WeakPolarHBondContact O-CB 3.34Å; K309-Y313 PolarHBondContact O-N 3Å; F311-Y313 PolarHBondContact O-N 3.03Å |
| 314 | R | 53.4 | Low | 63.8 | Low | 46 Ų | 46 | 79.9 Ų | 79.9 | 17% | 0.174 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -19.4 | -172 | -71.6 | 169.4 | -166.1 | -167.8 | -2.6 | 114.7 | L310 F311 L312 D380 Y386 | L310-R314 WeakPolarHBondContact O-CD 2.95Å; L310-R314 WeakPolarHBondContact O-CG 3.12Å; L310-R314 PolarHBondContact O-NE 2.88Å; L310-R314 VanDerWaalsContact O-NE 3.16Å; F311-R314 WeakPolarHBondContact O-CA 3.46Å; F311-R314 WeakPolarHBondContact O-CB 3.24Å; F311-R314 PolarHBondContact O-N 3.36Å; L312-R314 PolarHBondContact O-N 3.05Å; R314-D380 PolarHBondContact NH1-O 3.08Å; R314-Y386 HydrophobicContact CG-CD1 4.01Å; R314-Y386 HydrophobicContact CG-CD2 3.99Å; R314-Y386 HydrophobicContact CG-CE1 3.67Å; R314-Y386 HydrophobicContact CG-CE2 3.65Å; R314-Y386 HydrophobicContact CG-CG 4.15Å; R314-Y386 VanDerWaalsContact CG-CZ 3.46Å; R314-Y386 PolarHBondContact NE-OH 3.34Å; R314-Y386 PolarHBondContact NH2-OH 3.34Å |
| 315 | S | 53.8 | Low | 65 | Low | 34 Ų | 34 | 78.3 Ų | 78.3 | 24% | 0.238 | 39% | 0.388 | C | S | . | . | trans | -127.7 | 117.1 | -175.1 | -173 | 0 | 0 | 0 | 0 | 110.2 | F311 N317 | F311-S315 PolarHBondContact O-N 3.3Å; F311-S315 VanDerWaalsContact O-N 3.15Å; S315-N317 PolarHBondContact O-N 2.97Å | ||
| 316 | T | 52.3 | Low | 66.2 | Low | 127 Ų | 127 | 78.4 Ų | 78.4 | 78% | 0.779 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -79.6 | -13.2 | -169.5 | 47.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 317 | N | 65.9 | Low | 67.9 | Low | 103 Ų | 103 | 70.4 Ų | 70.4 | 55% | 0.551 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -139.6 | 10 | -171.4 | -66.1 | -49.2 | 0 | 0 | 0 | 115.6 | S315 | S315-N317 PolarHBondContact O-N 2.97Š|
| 318 | C | 75.2 | Confident | 69.6 | Low | 35 Ų | 35 | 65.8 Ų | 65.8 | 24% | 0.236 | 35% | 0.349 | C | S | . | . | trans | -126.1 | 144.6 | -179.3 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | F311 A329 M330 | F311-C318 HydrophobicContact CZ-CB 4.43Å; C318-A329 HydrophobicContact CB-CB 4.48Å; C318-M330 WeakPolarHBondContact CA-O 3.23Å | ||
| 319 | S | 79.8 | Confident | 71.3 | Confident | 37 Ų | 37 | 65.9 Ų | 65.9 | 26% | 0.259 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 156.9 | 168.2 | 65 | 0 | 0 | 0 | 0 | 110.5 | M330 | S319-M330 PolarHBondContact N-O 2.97Å; S319-M330 PolarHBondContact O-N 2.92Å; S319-M330 WeakPolarHBondContact OG-CE 3.33Å; S319-M330 PolarHBondContact OG-O 3.35Å |
| 320 | L | 84 | Confident | 73.3 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 132.4 | 177.9 | -165.9 | 66.2 | 0 | 0 | 0 | 109.6 | I301 W307 I308 F311 P327 F378 | I301-L320 HydrophobicContact CD1-CB 4.43Å; I301-L320 HydrophobicContact CD1-CD2 3.65Å; I301-L320 HydrophobicContact CD1-CG 3.62Å; W307-L320 HydrophobicContact CE3-CD2 4.22Å; W307-L320 HydrophobicContact CH2-CD2 3.69Å; W307-L320 HydrophobicContact CZ2-CD2 4.37Å; W307-L320 HydrophobicContact CZ3-CD2 3.61Å; I308-L320 HydrophobicContact CG1-CD2 4.21Å; F311-L320 HydrophobicContact CD1-CB 3.9Å; F311-L320 HydrophobicContact CD1-CD2 4.39Å; F311-L320 HydrophobicContact CE1-CB 3.79Å; F311-L320 HydrophobicContact CE1-CD1 4.36Å; L320-P327 HydrophobicContact CD1-CB 4.19Å; L320-F378 HydrophobicContact CD1-CB 4.19Å; L320-F378 HydrophobicContact CD1-CD1 3.73Å; L320-F378 HydrophobicContact CD1-CD2 3.65Å; L320-F378 HydrophobicContact CD1-CE1 3.96Å; L320-F378 HydrophobicContact CD1-CE2 3.98Å; L320-F378 HydrophobicContact CD1-CG 3.54Å; L320-F378 HydrophobicContact CD1-CZ 4.08Å |
| 321 | K | 88.7 | Confident | 75 | Confident | 35 Ų | 35 | 58.1 Ų | 58.1 | 15% | 0.152 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 166.8 | 176.2 | -58.7 | -67 | -178.5 | -176 | 0 | 109.9 | I298 D300 P327 V328 M330 Y375 | I298-K321 HydrophobicContact CG2-CB 3.91Å; I298-K321 HydrophobicContact CG2-CD 4.42Å; I298-K321 HydrophobicContact CG2-CG 4.17Å; D300-K321 VanDerWaalsContact CG-NZ 3.33Å; D300-K321 WeakPolarHBondContact OD1-CD 3.16Å; D300-K321 WeakPolarHBondContact OD1-CE 3.41Å; D300-K321 IonicContact OD1-NZ 2.83Å; D300-K321 PolarHBondContact OD1-NZ 3.09Å; D300-K321 IonicContact OD2-NZ 2.7Å; K321-P327 WeakPolarHBondContact O-CA 3.29Å; K321-V328 HydrophobicContact CB-CG2 3.86Å; K321-V328 PolarHBondContact N-O 2.89Å; K321-V328 PolarHBondContact O-N 3.43Å; K321-M330 VanDerWaalsContact CE-CE 3.47Å; K321-M330 HydrophobicContact CG-CB 3.74Å; K321-M330 HydrophobicContact CG-CG 4.31Å; K321-Y375 HydrophobicContact CB-CE1 4.42Å; K321-Y375 HydrophobicContact CG-CE1 4.21Å |
| 322 | M | 86.5 | Confident | 76.6 | Confident | 48 Ų | 48 | 62.8 Ų | 62.8 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.2 | 172.3 | -68.1 | -72.4 | -82.4 | 0 | 0 | 110.4 | I298 Y299 I301 C325 V326 P327 | I298-M322 WeakPolarHBondContact CA-O 3.45Å; Y299-M322 PolarHBondContact N-O 3.48Å; Y299-M322 PolarHBondContact O-N 2.9Å; I301-M322 HydrophobicContact CD1-CG 3.38Å; I301-M322 HydrophobicContact CD1-SD 3.69Å; I301-M322 HydrophobicContact CG1-CG 3.46Å; I301-M322 VanDerWaalsContact CG1-CG 3.46Å; I301-M322 HydrophobicContact CG1-SD 4.43Å; M322-C325 VanDerWaalsContact CE-C 3.41Å; M322-C325 WeakPolarHBondContact CE-O 3.39Å; M322-V326 WeakPolarHBondContact CA-O 3.46Å; M322-V326 VanDerWaalsContact SD-C 3.59Å; M322-P327 WeakPolarHBondContact SD-CA 3.33Å; M322-P327 HydrophobicContact SD-CB 3.84Å; M322-P327 VanDerWaalsContact SD-N 3.4Å |
| 323 | I | 86.9 | Confident | 78.2 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 8% | 0.077 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 122 | 171.3 | -58.6 | -179.7 | 0 | 0 | 0 | 106.9 | L293 I298 C325 V326 V328 Y375 | L293-I323 HydrophobicContact CD1-CD1 3.58Å; L293-I323 HydrophobicContact CD2-CD1 4.41Å; I298-I323 HydrophobicContact CD1-CD1 4.44Å; I298-I323 HydrophobicContact CG1-CD1 4.27Å; I298-I323 HydrophobicContact CG1-CG1 4.18Å; I298-I323 HydrophobicContact CG2-CG1 4.39Å; I323-C325 VanDerWaalsContact C-N 3.25Å; I323-C325 PolarHBondContact O-N 3.01Å; I323-V326 PolarHBondContact N-O 2.73Å; I323-V326 WeakPolarHBondContact O-CB 3.47Å; I323-V326 PolarHBondContact O-N 3.45Å; I323-V328 HydrophobicContact CB-CG1 4.28Å; I323-V328 HydrophobicContact CD1-CG1 4.25Å; I323-V328 HydrophobicContact CD1-CG2 3.76Å; I323-V328 HydrophobicContact CG1-CG1 4.27Å; I323-V328 HydrophobicContact CG1-CG2 3.79Å; I323-Y375 HydrophobicContact CD1-CD1 3.85Å; I323-Y375 HydrophobicContact CD1-CE1 4.48Å; I323-Y375 HydrophobicContact CD1-CG 4.14Å |
| 324 | D | 83.1 | Confident | 79.9 | Confident | 122 Ų | 122 | 58.2 Ų | 58.2 | 65% | 0.652 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 44.1 | -178.8 | -60.8 | -35.9 | 0 | 0 | 0 | 113.4 | V326 | D324-V326 PolarHBondContact O-N 3.01Š|
| 325 | C | 78.4 | Confident | 81.3 | Confident | 116 Ų | 116 | 56.7 Ų | 56.7 | 78% | 0.784 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 15.1 | -176.4 | -57.6 | 0 | 0 | 0 | 0 | 115.7 | M322 I323 | M322-C325 VanDerWaalsContact CE-C 3.41Å; M322-C325 WeakPolarHBondContact CE-O 3.39Å; I323-C325 VanDerWaalsContact C-N 3.25Å; I323-C325 PolarHBondContact O-N 3.01Å |
| 326 | V | 84.1 | Confident | 82.7 | Confident | 84 Ų | 84 | 64.7 Ų | 64.7 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 129.8 | 175.6 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | M322 I323 D324 | M322-V326 WeakPolarHBondContact CA-O 3.46Å; M322-V326 VanDerWaalsContact SD-C 3.59Å; I323-V326 PolarHBondContact N-O 2.73Å; I323-V326 WeakPolarHBondContact O-CB 3.47Å; I323-V326 PolarHBondContact O-N 3.45Å; D324-V326 PolarHBondContact O-N 3.01Å |
| 327 | P | 87 | Confident | 84.2 | Confident | 43 Ų | 43 | 60.6 Ų | 60.6 | 28% | 0.279 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 134.6 | 175.4 | 28 | -33.7 | 0 | 0 | 0 | 110.8 | W307 L320 K321 M322 F378 | W307-P327 HydrophobicContact CH2-CB 4.39Å; L320-P327 HydrophobicContact CD1-CB 4.19Å; K321-P327 WeakPolarHBondContact O-CA 3.29Å; M322-P327 WeakPolarHBondContact SD-CA 3.33Å; M322-P327 HydrophobicContact SD-CB 3.84Å; M322-P327 VanDerWaalsContact SD-N 3.4Å; P327-F378 HydrophobicContact CB-CB 4.4Å; P327-F378 HydrophobicContact CB-CD1 3.89Å; P327-F378 HydrophobicContact CB-CG 4.47Å; P327-F378 HydrophobicContact CG-CD1 4.11Å; P327-F378 WeakPolarHBondContact O-CB 3.33Å |
| 328 | V | 90.3 | Very high | 85.1 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 145.2 | -179.7 | -54.7 | 0 | 0 | 0 | 0 | 110 | K321 I323 I363 Y375 T376 | K321-V328 HydrophobicContact CB-CG2 3.86Å; K321-V328 PolarHBondContact N-O 2.89Å; K321-V328 PolarHBondContact O-N 3.43Å; I323-V328 HydrophobicContact CB-CG1 4.28Å; I323-V328 HydrophobicContact CD1-CG1 4.25Å; I323-V328 HydrophobicContact CD1-CG2 3.76Å; I323-V328 HydrophobicContact CG1-CG1 4.27Å; I323-V328 HydrophobicContact CG1-CG2 3.79Å; V328-I363 HydrophobicContact CB-CD1 4.01Å; V328-I363 HydrophobicContact CG1-CD1 3.31Å; V328-Y375 HydrophobicContact CG2-CD1 3.85Å; V328-T376 WeakPolarHBondContact CA-O 3.22Å; V328-T376 WeakPolarHBondContact CB-O 3.47Å |
| 329 | A | 89.4 | Confident | 85.5 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 8% | 0.083 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 130.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | C318 Y375 T376 | C318-A329 HydrophobicContact CB-CB 4.48Å; A329-Y375 CarbonylContact O-C 3.59Å; A329-Y375 WeakPolarHBondContact O-CA 3.42Å; A329-T376 PolarHBondContact N-O 2.93Å; A329-T376 PolarHBondContact O-N 3.12Å |
| 330 | M | 90.6 | Very high | 85.7 | Confident | 9 Ų | 9 | 64.8 Ų | 64.8 | 4% | 0.044 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125 | 179.8 | -176.8 | -80.6 | -87.1 | 0 | 0 | 109.9 | C318 S319 K321 Q332 L374 Y375 | C318-M330 WeakPolarHBondContact CA-O 3.23Å; S319-M330 PolarHBondContact N-O 2.97Å; S319-M330 PolarHBondContact O-N 2.92Å; S319-M330 WeakPolarHBondContact OG-CE 3.33Å; S319-M330 PolarHBondContact OG-O 3.35Å; K321-M330 VanDerWaalsContact CE-CE 3.47Å; K321-M330 HydrophobicContact CG-CB 3.74Å; K321-M330 HydrophobicContact CG-CG 4.31Å; M330-Q332 HydrophobicContact CE-CG 3.72Å; M330-Q332 HydrophobicContact SD-CB 4.43Å; M330-Q332 HydrophobicContact SD-CG 3.2Å; M330-Q332 WeakPolarHBondContact SD-CG 3.19Å; M330-L374 VanDerWaalsContact CA-O 3.31Å; M330-L374 WeakPolarHBondContact CA-O 3.4Å; M330-Y375 HydrophobicContact CB-CD1 3.88Å; M330-Y375 HydrophobicContact CB-CE1 3.78Å; M330-Y375 HydrophobicContact CG-CD1 3.87Å; M330-Y375 HydrophobicContact CG-CE1 3.41Å; M330-Y375 VanDerWaalsContact CG-CE1 3.41Å; M330-Y375 HydrophobicContact CG-CE2 4.29Å |
| 331 | K | 88.2 | Confident | 85.7 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 16% | 0.161 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.6 | 175.8 | -176 | 175.8 | 178.7 | 178.3 | 0 | 109.5 | S373 L374 D441 | K331-S373 CarbonylContact O-C 3.53Å; K331-S373 WeakPolarHBondContact O-CA 3.39Å; K331-L374 PolarHBondContact N-O 2.98Å; K331-L374 PolarHBondContact O-N 2.94Å; K331-D441 IonicContact NZ-OD1 2.66Å; K331-D441 PolarHBondContact NZ-OD1 2.73Å; K331-D441 IonicContact NZ-OD2 2.85Å; K331-D441 PolarHBondContact NZ-OD2 2.66Å |
| 332 | Q | 89 | Confident | 85.4 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 51% | 0.505 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 139.6 | 177.1 | -57.4 | -168.2 | -67.7 | 0 | 0 | 110.7 | M330 V371 | M330-Q332 HydrophobicContact CE-CG 3.72Å; M330-Q332 HydrophobicContact SD-CB 4.43Å; M330-Q332 HydrophobicContact SD-CG 3.2Å; M330-Q332 WeakPolarHBondContact SD-CG 3.19Å; Q332-V371 HydrophobicContact CB-CG1 4.1Å; Q332-V371 HydrophobicContact CG-CG1 4.35Å |
| 333 | I | 85.2 | Confident | 85.2 | Confident | 19 Ų | 19 | 72.6 Ų | 72.6 | 10% | 0.097 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 127.7 | 178.9 | -55.4 | 172.3 | 0 | 0 | 0 | 107 | V335 L372 L374 I448 | I333-V335 HydrophobicContact CG2-CG1 3.95Å; I333-L372 PolarHBondContact N-O 2.83Å; I333-L372 PolarHBondContact O-N 2.94Å; I333-L374 HydrophobicContact CD1-CD1 3.58Å; I333-L374 HydrophobicContact CD1-CG 4.08Å; I333-I448 HydrophobicContact CD1-CD1 3.65Å; I333-I448 HydrophobicContact CD1-CG1 3.88Å; I333-I448 HydrophobicContact CG2-CG2 4.37Å |
| 334 | Y | 86.4 | Confident | 85.1 | Confident | 181 Ų | 181 | 73.7 Ų | 73.7 | 71% | 0.71 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.9 | 171.3 | -69.8 | -87.9 | 0 | 0 | 0 | 108.7 | P370 V371 | Y334-P370 CarbonylContact C-O 3.55Å; Y334-P370 WeakPolarHBondContact CA-O 3.39Å; Y334-P370 HydrophobicContact CD1-CG 4.4Å; Y334-V371 HydrophobicContact CD1-CG2 3.98Å; Y334-V371 HydrophobicContact CE1-CG2 3.73Å |
| 335 | V | 83.5 | Confident | 85.2 | Confident | 13 Ų | 13 | 71.1 Ų | 71.1 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | trans | -126.3 | 148.7 | -176.2 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | I333 F337 F367 P370 L372 | I333-V335 HydrophobicContact CG2-CG1 3.95Å; V335-F337 HydrophobicContact CB-CD1 3.88Å; V335-F337 HydrophobicContact CB-CE1 3.52Å; V335-F337 HydrophobicContact CB-CE2 4.25Å; V335-F337 HydrophobicContact CB-CG 4.41Å; V335-F337 HydrophobicContact CB-CZ 3.72Å; V335-F337 HydrophobicContact CG1-CE1 3.74Å; V335-F337 HydrophobicContact CG1-CZ 3.8Å; V335-F337 HydrophobicContact CG2-CD1 4.21Å; V335-F337 HydrophobicContact CG2-CD2 4.01Å; V335-F337 HydrophobicContact CG2-CE1 3.89Å; V335-F337 HydrophobicContact CG2-CE2 3.66Å; V335-F337 HydrophobicContact CG2-CG 4.28Å; V335-F337 HydrophobicContact CG2-CZ 3.61Å; V335-F367 HydrophobicContact CG2-CD2 4.42Å; V335-F367 HydrophobicContact CG2-CE2 3.54Å; V335-F367 HydrophobicContact CG2-CZ 4.33Å; V335-P370 WeakPolarHBondContact CG2-O 3.14Å; V335-P370 PolarHBondContact N-O 3Å; V335-P370 WeakPolarHBondContact O-CB 3.18Å; V335-L372 HydrophobicContact CG1-CB 4.14Å; V335-L372 HydrophobicContact CG2-CB 4.34Å | ||
| 336 | E | 82.1 | Confident | 85.5 | Confident | 202 Ų | 202 | 71.6 Ų | 71.6 | 94% | 0.944 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -82 | -18.4 | -177.3 | -61.6 | -171.9 | 161.3 | 0 | 0 | 113.4 | ||
| 337 | F | 83.6 | Confident | 85.5 | Confident | 42 Ų | 42 | 70.6 Ų | 70.6 | 18% | 0.184 | 35% | 0.353 | C | S | . | . | trans | -80.7 | 151.6 | -179.3 | 56.3 | -99.9 | 0 | 0 | 0 | 112.7 | V335 E339 L340 M344 F367 S369 | V335-F337 HydrophobicContact CB-CD1 3.88Å; V335-F337 HydrophobicContact CB-CE1 3.52Å; V335-F337 HydrophobicContact CB-CE2 4.25Å; V335-F337 HydrophobicContact CB-CG 4.41Å; V335-F337 HydrophobicContact CB-CZ 3.72Å; V335-F337 HydrophobicContact CG1-CE1 3.74Å; V335-F337 HydrophobicContact CG1-CZ 3.8Å; V335-F337 HydrophobicContact CG2-CD1 4.21Å; V335-F337 HydrophobicContact CG2-CD2 4.01Å; V335-F337 HydrophobicContact CG2-CE1 3.89Å; V335-F337 HydrophobicContact CG2-CE2 3.66Å; V335-F337 HydrophobicContact CG2-CG 4.28Å; V335-F337 HydrophobicContact CG2-CZ 3.61Å; F337-E339 WeakPolarHBondContact CD2-O 3.32Å; F337-L340 HydrophobicContact CE2-CD2 3.62Å; F337-L340 HydrophobicContact CE2-CG 4.29Å; F337-L340 HydrophobicContact CZ-CD2 3.95Å; F337-M344 HydrophobicContact CD1-CE 3.68Å; F337-M344 HydrophobicContact CD1-SD 4.12Å; F337-M344 HydrophobicContact CD2-SD 4.32Å; F337-M344 HydrophobicContact CE1-CE 3.84Å; F337-M344 HydrophobicContact CE1-SD 4.01Å; F337-M344 HydrophobicContact CE2-SD 4.23Å; F337-M344 HydrophobicContact CG-CE 4.2Å; F337-M344 HydrophobicContact CG-SD 4.27Å; F337-M344 HydrophobicContact CZ-CE 4.49Å; F337-M344 HydrophobicContact CZ-SD 4.06Å; F337-F367 HydrophobicContact CD2-CE1 4.35Å; F337-F367 HydrophobicContact CD2-CE2 4Å; F337-F367 AromaticContact CD2-CZ 3.64Å; F337-F367 HydrophobicContact CD2-CZ 3.64Å; F337-F367 HydrophobicContact CE2-CD2 4.22Å; F337-F367 HydrophobicContact CE2-CE1 4.37Å; F337-F367 AromaticContact CE2-CE2 3.61Å; F337-F367 HydrophobicContact CE2-CE2 3.61Å; F337-F367 AromaticContact CE2-CZ 3.68Å; F337-F367 HydrophobicContact CE2-CZ 3.68Å; F337-F367 WeakPolarHBondContact O-CZ 3.31Å; F337-S369 PolarHBondContact O-OG 2.73Å | ||
| 338 | T | 84.2 | Confident | 85.5 | Confident | 112 Ų | 112 | 68.5 Ų | 68.5 | 69% | 0.687 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -96.4 | -17.3 | -179.1 | 54 | 0 | 0 | 0 | 0 | 114 | F367 | T338-F367 WeakPolarHBondContact O-CE1 3.38Š|
| 339 | E | 84.6 | Confident | 85.3 | Confident | 130 Ų | 130 | 71.3 Ų | 71.3 | 61% | 0.607 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -146.1 | 150.2 | 178.9 | 60.6 | -178.5 | -172.1 | 0 | 0 | 110.6 | F337 T341 | F337-E339 WeakPolarHBondContact CD2-O 3.32Å; E339-T341 PolarHBondContact O-N 2.71Å |
| 340 | L | 83 | Confident | 85.2 | Confident | 21 Ų | 21 | 75.7 Ų | 75.7 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | trans | -78.5 | 113 | 172.8 | -72 | 167.9 | 0 | 0 | 0 | 109 | W291 F337 M344 Q345 L348 F367 | W291-L340 HydrophobicContact CH2-CD1 4.4Å; F337-L340 HydrophobicContact CE2-CD2 3.62Å; F337-L340 HydrophobicContact CE2-CG 4.29Å; F337-L340 HydrophobicContact CZ-CD2 3.95Å; L340-M344 HydrophobicContact CD2-CB 4.2Å; L340-M344 HydrophobicContact CD2-SD 4.36Å; L340-Q345 HydrophobicContact CB-CG 3.83Å; L340-Q345 PolarHBondContact O-NE2 3.13Å; L340-L348 HydrophobicContact CD1-CD1 4.13Å; L340-L348 HydrophobicContact CD2-CD1 3.95Å; L340-F367 HydrophobicContact CD1-CB 4Å; L340-F367 HydrophobicContact CD1-CD1 4.37Å; L340-F367 HydrophobicContact CD1-CG 4.25Å; L340-F367 HydrophobicContact CG-CB 4.45Å; L340-F367 HydrophobicContact CG-CD1 4.03Å; L340-F367 HydrophobicContact CG-CG 4.16Å | ||
| 341 | T | 84.7 | Confident | 85.1 | Confident | 61 Ų | 61 | 75.6 Ų | 75.6 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | trans | -63.6 | 159.9 | 175.8 | 70.7 | 0 | 0 | 0 | 0 | 111.1 | E339 D343 M344 Q345 | E339-T341 PolarHBondContact O-N 2.71Å; T341-D343 PolarHBondContact O-N 3.32Å; T341-D343 VanDerWaalsContact O-N 3.16Å; T341-M344 HydrophobicContact CG2-SD 4.25Å; T341-M344 WeakPolarHBondContact O-CB 3.45Å; T341-M344 PolarHBondContact O-N 2.83Å; T341-M344 VanDerWaalsContact O-N 3.11Å; T341-M344 VanDerWaalsContact OG1-CG 3.27Å; T341-M344 WeakPolarHBondContact OG1-CG 3.2Å; T341-M344 PolarHBondContact OG1-N 2.96Å; T341-Q345 WeakPolarHBondContact O-CG 3.42Å; T341-Q345 PolarHBondContact O-N 3.02Å | ||
| 342 | S | 81.7 | Confident | 85.2 | Confident | 88 Ų | 88 | 75.8 Ų | 75.8 | 62% | 0.615 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -54.9 | -35.2 | 177.2 | 51.7 | 0 | 0 | 0 | 0 | 113 | K346 | S342-K346 WeakPolarHBondContact O-CB 3.2Å; S342-K346 PolarHBondContact O-N 3.14Å |
| 343 | D | 82.6 | Confident | 85.3 | Confident | 110 Ų | 110 | 76.6 Ų | 76.6 | 59% | 0.588 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -71.3 | -41.6 | 179.3 | -63.9 | -26.7 | 0 | 0 | 0 | 111.5 | T341 K346 Q347 | T341-D343 PolarHBondContact O-N 3.32Å; T341-D343 VanDerWaalsContact O-N 3.16Å; D343-K346 WeakPolarHBondContact O-CB 3.05Å; D343-K346 PolarHBondContact O-N 2.92Å; D343-Q347 WeakPolarHBondContact O-CG 3.18Å; D343-Q347 PolarHBondContact O-N 3.02Å |
| 344 | M | 85.1 | Confident | 85.6 | Confident | 37 Ų | 37 | 76 Ų | 76 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 173.7 | -71.9 | 177.3 | 174.1 | 0 | 0 | 111.7 | F337 L340 T341 K346 Q347 L348 L447 | F337-M344 HydrophobicContact CD1-CE 3.68Å; F337-M344 HydrophobicContact CD1-SD 4.12Å; F337-M344 HydrophobicContact CD2-SD 4.32Å; F337-M344 HydrophobicContact CE1-CE 3.84Å; F337-M344 HydrophobicContact CE1-SD 4.01Å; F337-M344 HydrophobicContact CE2-SD 4.23Å; F337-M344 HydrophobicContact CG-CE 4.2Å; F337-M344 HydrophobicContact CG-SD 4.27Å; F337-M344 HydrophobicContact CZ-CE 4.49Å; F337-M344 HydrophobicContact CZ-SD 4.06Å; L340-M344 HydrophobicContact CD2-CB 4.2Å; L340-M344 HydrophobicContact CD2-SD 4.36Å; T341-M344 HydrophobicContact CG2-SD 4.25Å; T341-M344 WeakPolarHBondContact O-CB 3.45Å; T341-M344 PolarHBondContact O-N 2.83Å; T341-M344 VanDerWaalsContact O-N 3.11Å; T341-M344 VanDerWaalsContact OG1-CG 3.27Å; T341-M344 WeakPolarHBondContact OG1-CG 3.2Å; T341-M344 PolarHBondContact OG1-N 2.96Å; M344-K346 VanDerWaalsContact C-N 3.32Å; M344-K346 PolarHBondContact O-N 3.07Å; M344-Q347 PolarHBondContact O-N 3.4Å; M344-L348 WeakPolarHBondContact O-CG 3.18Å; M344-L348 PolarHBondContact O-N 3.43Å; M344-L447 HydrophobicContact CB-CD2 3.49Å; M344-L447 VanDerWaalsContact CB-CD2 3.49Å; M344-L447 HydrophobicContact CG-CD2 3.54Å; M344-L447 HydrophobicContact SD-CD2 4.19Å |
| 345 | Q | 85.1 | Confident | 85.8 | Confident | 69 Ų | 69 | 74.8 Ų | 74.8 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 176.3 | -66.1 | -176.8 | 16 | 0 | 0 | 111.7 | W291 L340 T341 L348 W349 | W291-Q345 HydrophobicContact CH2-CB 3.99Å; W291-Q345 HydrophobicContact CH2-CG 3.88Å; W291-Q345 HydrophobicContact CZ2-CB 3.83Å; W291-Q345 HydrophobicContact CZ2-CG 4Å; L340-Q345 HydrophobicContact CB-CG 3.83Å; L340-Q345 PolarHBondContact O-NE2 3.13Å; T341-Q345 WeakPolarHBondContact O-CG 3.42Å; T341-Q345 PolarHBondContact O-N 3.02Å; Q345-L348 PolarHBondContact O-N 3Å; Q345-W349 VanDerWaalsContact O-CB 3.29Å; Q345-W349 WeakPolarHBondContact O-CB 3.42Å; Q345-W349 PolarHBondContact O-N 3.48Å |
| 346 | K | 84.7 | Confident | 86.3 | Confident | 125 Ų | 125 | 76.6 Ų | 76.6 | 54% | 0.543 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 175.7 | -175.3 | -174.8 | 172.6 | -167.1 | 0 | 111.7 | S342 D343 M344 W349 E350 | S342-K346 WeakPolarHBondContact O-CB 3.2Å; S342-K346 PolarHBondContact O-N 3.14Å; D343-K346 WeakPolarHBondContact O-CB 3.05Å; D343-K346 PolarHBondContact O-N 2.92Å; M344-K346 VanDerWaalsContact C-N 3.32Å; M344-K346 PolarHBondContact O-N 3.07Å; K346-W349 WeakPolarHBondContact O-CB 3.11Å; K346-W349 PolarHBondContact O-N 2.89Å; K346-E350 WeakPolarHBondContact CE-OE1 3.35Å; K346-E350 WeakPolarHBondContact O-CG 3.41Å; K346-E350 PolarHBondContact O-N 2.85Å |
| 347 | Q | 83.5 | Confident | 86.8 | Confident | 63 Ų | 63 | 73.1 Ų | 73.1 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 176.8 | -71.3 | 175.2 | -14.3 | 0 | 0 | 112.1 | D343 M344 W349 E350 V351 S446 | D343-Q347 WeakPolarHBondContact O-CG 3.18Å; D343-Q347 PolarHBondContact O-N 3.02Å; M344-Q347 PolarHBondContact O-N 3.4Å; Q347-W349 VanDerWaalsContact C-N 3.25Å; Q347-W349 PolarHBondContact O-N 2.55Å; Q347-E350 PolarHBondContact O-N 3.05Å; Q347-E350 VanDerWaalsContact O-N 3.14Å; Q347-V351 PolarHBondContact O-N 2.95Å; Q347-S446 PolarHBondContact NE2-OG 3.13Å; Q347-S446 PolarHBondContact OE1-OG 3.43Å |
| 348 | L | 87 | Confident | 87.3 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.7 | -41.6 | 174.8 | -78.7 | 163.7 | 0 | 0 | 0 | 111.9 | W291 L340 M344 Q345 K352 L362 V365 L374 L444 L447 | W291-L348 HydrophobicContact CE3-CB 4.38Å; W291-L348 HydrophobicContact CH2-CB 4.19Å; W291-L348 HydrophobicContact CH2-CD1 4.02Å; W291-L348 HydrophobicContact CZ3-CB 3.86Å; W291-L348 HydrophobicContact CZ3-CD1 3.75Å; W291-L348 HydrophobicContact CZ3-CG 4.34Å; L340-L348 HydrophobicContact CD1-CD1 4.13Å; L340-L348 HydrophobicContact CD2-CD1 3.95Å; M344-L348 WeakPolarHBondContact O-CG 3.18Å; M344-L348 PolarHBondContact O-N 3.43Å; Q345-L348 PolarHBondContact O-N 3Å; L348-K352 VanDerWaalsContact O-CB 3.32Å; L348-K352 WeakPolarHBondContact O-CB 3.34Å; L348-K352 PolarHBondContact O-N 2.89Å; L348-L362 HydrophobicContact CD2-CD2 4.45Å; L348-V365 HydrophobicContact CD1-CG2 4.46Å; L348-V365 HydrophobicContact CD2-CG1 3.79Å; L348-L374 HydrophobicContact CD2-CD2 4.45Å; L348-L444 HydrophobicContact CD2-CD2 3.69Å; L348-L444 HydrophobicContact CG-CD2 4.45Å; L348-L447 HydrophobicContact CD1-CD1 4.31Å; L348-L447 HydrophobicContact CD1-CD2 4.36Å; L348-L447 HydrophobicContact CD2-CD1 3.73Å; L348-L447 HydrophobicContact CG-CD1 3.64Å; L348-L447 HydrophobicContact CG-CD2 4.47Å |
| 349 | W | 86 | Confident | 87.9 | Confident | 60 Ų | 60 | 66.8 Ų | 66.8 | 23% | 0.227 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.6 | -39 | 177.3 | 179 | -120.4 | 0 | 0 | 0 | 113 | I287 W291 Q345 K346 Q347 K352 K353 | I287-W349 HydrophobicContact CB-CH2 4.5Å; I287-W349 HydrophobicContact CB-CZ2 4.47Å; I287-W349 HydrophobicContact CG2-CD2 4.31Å; I287-W349 HydrophobicContact CG2-CE3 4.39Å; I287-W349 HydrophobicContact CG2-CH2 3.32Å; I287-W349 HydrophobicContact CG2-CZ2 3.11Å; I287-W349 HydrophobicContact CG2-CZ3 3.94Å; W291-W349 HydrophobicContact CB-CE3 4.46Å; W291-W349 HydrophobicContact CB-CZ3 4.48Å; W291-W349 AromaticContact CD1-CE3 3.65Å; W291-W349 AromaticContact CD1-CZ3 3.98Å; W291-W349 HydrophobicContact CG-CE3 4.11Å; W291-W349 HydrophobicContact CG-CZ3 4.47Å; Q345-W349 VanDerWaalsContact O-CB 3.29Å; Q345-W349 WeakPolarHBondContact O-CB 3.42Å; Q345-W349 PolarHBondContact O-N 3.48Å; K346-W349 WeakPolarHBondContact O-CB 3.11Å; K346-W349 PolarHBondContact O-N 2.89Å; Q347-W349 VanDerWaalsContact C-N 3.25Å; Q347-W349 PolarHBondContact O-N 2.55Å; W349-K352 HydrophobicContact CE3-CD 4.07Å; W349-K352 HydrophobicContact CZ3-CD 3.97Å; W349-K352 PolarHBondContact O-N 3.22Å; W349-K353 HydrophobicContact CD2-CD 4.4Å; W349-K353 HydrophobicContact CD2-CG 4.45Å; W349-K353 HydrophobicContact CZ2-CD 4.11Å; W349-K353 HydrophobicContact CZ2-CG 4.1Å; W349-K353 WeakPolarHBondContact O-CG 3.38Å; W349-K353 PolarHBondContact O-N 3.21Å; W349-K353 VanDerWaalsContact O-N 3.07Å |
| 350 | E | 87.8 | Confident | 88.3 | Confident | 102 Ų | 102 | 60.8 Ų | 60.8 | 48% | 0.477 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 175.4 | -75.7 | 173.7 | 175.9 | 0 | 0 | 111.1 | K346 Q347 K352 K353 M354 | K346-E350 WeakPolarHBondContact CE-OE1 3.35Å; K346-E350 WeakPolarHBondContact O-CG 3.41Å; K346-E350 PolarHBondContact O-N 2.85Å; Q347-E350 PolarHBondContact O-N 3.05Å; Q347-E350 VanDerWaalsContact O-N 3.14Å; E350-K352 PolarHBondContact O-N 3.21Å; E350-K353 WeakPolarHBondContact O-CB 3.19Å; E350-K353 PolarHBondContact O-N 2.95Å; E350-M354 WeakPolarHBondContact O-CG 3.3Å; E350-M354 PolarHBondContact O-N 3.07Å |
| 351 | V | 89.8 | Confident | 88.8 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 176.2 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | Q347 K353 M354 L362 Y442 G443 L444 | Q347-V351 PolarHBondContact O-N 2.95Å; V351-K353 VanDerWaalsContact C-N 3.25Å; V351-K353 PolarHBondContact O-N 3.47Å; V351-M354 WeakPolarHBondContact O-CB 3.21Å; V351-M354 PolarHBondContact O-N 3.44Å; V351-M354 VanDerWaalsContact O-N 3.16Å; V351-L362 HydrophobicContact CB-CD2 4.4Å; V351-L362 HydrophobicContact CG1-CB 4.43Å; V351-L362 HydrophobicContact CG1-CD2 4.08Å; V351-Y442 HydrophobicContact CG1-CD2 4.5Å; V351-Y442 HydrophobicContact CG1-CE2 4.06Å; V351-G443 WeakPolarHBondContact CG2-O 3.44Å; V351-L444 HydrophobicContact CB-CD2 3.94Å; V351-L444 HydrophobicContact CG1-CD2 4.13Å; V351-L444 HydrophobicContact CG1-CG 4.27Å; V351-L444 HydrophobicContact CG2-CD2 3.68Å; V351-L444 HydrophobicContact CG2-CG 4.24Å |
| 352 | K | 90.1 | Very high | 89.2 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 18% | 0.183 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.3 | -33.4 | 176.6 | 176.6 | 175.5 | 174.8 | 72.8 | 0 | 113.3 | W291 L348 W349 E350 M354 L362 I363 | W291-K352 HydrophobicContact CB-CD 3.23Å; W291-K352 VanDerWaalsContact CB-CE 3.41Å; W291-K352 HydrophobicContact CG-CD 4.17Å; L348-K352 VanDerWaalsContact O-CB 3.32Å; L348-K352 WeakPolarHBondContact O-CB 3.34Å; L348-K352 PolarHBondContact O-N 2.89Å; W349-K352 HydrophobicContact CE3-CD 4.07Å; W349-K352 HydrophobicContact CZ3-CD 3.97Å; W349-K352 PolarHBondContact O-N 3.22Å; E350-K352 PolarHBondContact O-N 3.21Å; K352-M354 VanDerWaalsContact C-N 3.31Å; K352-L362 HydrophobicContact CB-CD2 4.24Å; K352-I363 PolarHBondContact NZ-O 3.14Å |
| 353 | K | 89.7 | Confident | 89.7 | Confident | 124 Ų | 124 | 59.5 Ų | 59.5 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -73.1 | -23.8 | 179.2 | -85.6 | 171.9 | 156 | 171.6 | 0 | 113.1 | W349 E350 V351 K355 | W349-K353 HydrophobicContact CD2-CD 4.4Å; W349-K353 HydrophobicContact CD2-CG 4.45Å; W349-K353 HydrophobicContact CZ2-CD 4.11Å; W349-K353 HydrophobicContact CZ2-CG 4.1Å; W349-K353 WeakPolarHBondContact O-CG 3.38Å; W349-K353 PolarHBondContact O-N 3.21Å; W349-K353 VanDerWaalsContact O-N 3.07Å; E350-K353 WeakPolarHBondContact O-CB 3.19Å; E350-K353 PolarHBondContact O-N 2.95Å; V351-K353 VanDerWaalsContact C-N 3.25Å; V351-K353 PolarHBondContact O-N 3.47Å; K353-K355 PolarHBondContact O-N 3.36Å |
| 354 | M | 91.6 | Very high | 90.1 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.039 | 25% | 0.25 | C | S | . | . | trans | -61.6 | 127.1 | 178.8 | -60.1 | -178.3 | 78.2 | 0 | 0 | 109.5 | E350 V351 K352 L359 Y413 L414 Y417 I419 Y442 | E350-M354 WeakPolarHBondContact O-CG 3.3Å; E350-M354 PolarHBondContact O-N 3.07Å; V351-M354 WeakPolarHBondContact O-CB 3.21Å; V351-M354 PolarHBondContact O-N 3.44Å; V351-M354 VanDerWaalsContact O-N 3.16Å; K352-M354 VanDerWaalsContact C-N 3.31Å; M354-L359 HydrophobicContact CE-CD1 4.35Å; M354-Y413 HydrophobicContact CB-CE1 4.18Å; M354-Y413 HydrophobicContact CE-CD1 3.84Å; M354-Y413 HydrophobicContact CE-CE1 3.63Å; M354-Y413 HydrophobicContact CG-CE1 4.48Å; M354-L414 HydrophobicContact CE-CD2 3.55Å; M354-Y417 HydrophobicContact CE-CD2 4.12Å; M354-Y417 HydrophobicContact CE-CG 4.08Å; M354-I419 HydrophobicContact CE-CD1 3.94Å; M354-I419 HydrophobicContact SD-CD1 3.74Å; M354-Y442 HydrophobicContact SD-CD2 4.44Å; M354-Y442 HydrophobicContact SD-CE2 4Å | ||
| 355 | K | 90.6 | Very high | 90.4 | Very high | 154 Ų | 154 | 52.6 Ų | 52.6 | 67% | 0.67 | 24% | 0.242 | S | C | * | . | trans | -134.3 | 114.7 | 179 | -70.4 | -178.3 | -175.9 | 179.4 | 0 | 108.5 | K353 | K353-K355 PolarHBondContact O-N 3.36Š| ||
| 356 | H | 94.6 | Very high | 90.6 | Very high | 51 Ų | 51 | 49.7 Ų | 49.7 | 24% | 0.236 | 23% | 0.229 | C | C | . | . | trans | -152.2 | 144.9 | 177.8 | -170 | -96.7 | 0 | 0 | 0 | 109.4 | N358 L359 Y413 | H356-N358 PolarHBondContact CE1-OD1 2.99Å; H356-N358 PolarHBondContact ND1-N 2.9Å; H356-N358 VanDerWaalsContact ND1-N 3.14Å; H356-N358 PolarHBondContact O-N 3.34Å; H356-L359 HydrophobicContact CB-CB 4.08Å; H356-L359 HydrophobicContact CB-CD1 3.83Å; H356-L359 HydrophobicContact CB-CG 3.83Å; H356-L359 PolarHBondContact O-N 3Å; H356-Y413 HydrophobicContact CB-CD1 4.22Å; H356-Y413 HydrophobicContact CB-CD2 4.39Å; H356-Y413 HydrophobicContact CB-CE1 4.38Å; H356-Y413 HydrophobicContact CB-CG 4.2Å; H356-Y413 AromaticContact CD2-CD2 3.68Å; H356-Y413 AromaticContact CD2-CG 3.92Å | ||
| 357 | N | 92.3 | Very high | 90.8 | Very high | 129 Ų | 129 | 45.9 Ų | 45.9 | 69% | 0.69 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -26 | -175.7 | -72.6 | -10.8 | 0 | 0 | 0 | 112.9 | T436 K438 | N357-T436 WeakPolarHBondContact O-CG2 3.5Å; N357-K438 WeakPolarHBondContact O-CE 3.33Å; N357-K438 WeakPolarHBondContact O-CG 3.44Å |
| 358 | N | 94.9 | Very high | 91 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 10% | 0.102 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 19.8 | -179.3 | -54 | 101.4 | 0 | 0 | 0 | 113.6 | H356 G406 C437 K438 I439 | H356-N358 PolarHBondContact CE1-OD1 2.99Å; H356-N358 PolarHBondContact ND1-N 2.9Å; H356-N358 VanDerWaalsContact ND1-N 3.14Å; H356-N358 PolarHBondContact O-N 3.34Å; N358-G406 WeakPolarHBondContact CB-O 3.25Å; N358-G406 VanDerWaalsContact CG-C 3.45Å; N358-G406 VanDerWaalsContact CG-CA 3.44Å; N358-G406 WeakPolarHBondContact ND2-CA 3.46Å; N358-G406 PolarHBondContact OD1-O 2.82Å; N358-C437 PolarHBondContact ND2-O 2.93Å; N358-K438 CarbonylContact O-C 3.57Å; N358-K438 VanDerWaalsContact O-CA 3.3Å; N358-K438 WeakPolarHBondContact O-CA 3.45Å; N358-I439 PolarHBondContact O-N 3.32Å |
| 359 | L | 95.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -124.1 | 136.9 | 171.8 | -63.5 | -177.3 | 0 | 0 | 0 | 109.3 | M354 H356 K361 Y413 L414 I439 Y442 | M354-L359 HydrophobicContact CE-CD1 4.35Å; H356-L359 HydrophobicContact CB-CB 4.08Å; H356-L359 HydrophobicContact CB-CD1 3.83Å; H356-L359 HydrophobicContact CB-CG 3.83Å; H356-L359 PolarHBondContact O-N 3Å; L359-K361 PolarHBondContact O-N 3.07Å; L359-Y413 HydrophobicContact CD1-CD1 3.53Å; L359-Y413 HydrophobicContact CD1-CE1 4.08Å; L359-Y413 HydrophobicContact CD1-CG 4.37Å; L359-L414 HydrophobicContact CD1-CD2 3.61Å; L359-L414 HydrophobicContact CD1-CG 4.14Å; L359-L414 HydrophobicContact CD2-CD1 4Å; L359-L414 HydrophobicContact CD2-CD2 3.98Å; L359-L414 HydrophobicContact CD2-CG 3.87Å; L359-L414 HydrophobicContact CG-CD2 4.48Å; L359-I439 HydrophobicContact CD2-CB 3.84Å; L359-I439 HydrophobicContact CD2-CD1 4.02Å; L359-I439 HydrophobicContact CD2-CG1 4.36Å; L359-Y442 HydrophobicContact CB-CE1 3.83Å; L359-Y442 WeakPolarHBondContact CB-OH 3.47Å; L359-Y442 HydrophobicContact CD1-CE2 4.38Å; L359-Y442 HydrophobicContact CD2-CD1 4.28Å; L359-Y442 HydrophobicContact CD2-CE1 4.06Å; L359-Y442 HydrophobicContact CG-CE1 4.37Å |
| 360 | V | 94 | Very high | 90.9 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | trans | -70.8 | 115.1 | 176.3 | 170.4 | 0 | 0 | 0 | 0 | 110 | L362 T376 E377 V430 K438 I439 Y442 | V360-L362 PolarHBondContact O-N 3.07Å; V360-T376 HydrophobicContact CG1-CG2 4.1Å; V360-E377 WeakPolarHBondContact CA-OE1 3.49Å; V360-E377 HydrophobicContact CG1-CG 3.89Å; V360-V430 HydrophobicContact CG2-CG2 3.32Å; V360-K438 HydrophobicContact CG2-CB 3.71Å; V360-K438 HydrophobicContact CG2-CD 4.37Å; V360-I439 PolarHBondContact N-O 3.12Å; V360-Y442 PolarHBondContact O-OH 3.21Å | ||
| 361 | K | 93.6 | Very high | 91 | Very high | 97 Ų | 97 | 47.8 Ų | 47.8 | 42% | 0.422 | 24% | 0.24 | S | C | . | . | trans | -66.9 | 126.2 | -178.4 | -175.9 | -176.8 | 174.7 | -168.4 | 0 | 112.5 | L359 I363 T376 E377 | L359-K361 PolarHBondContact O-N 3.07Å; K361-I363 PolarHBondContact O-N 2.87Å; K361-T376 CarbonylContact O-C 3.56Å; K361-T376 VanDerWaalsContact O-CA 3.31Å; K361-T376 WeakPolarHBondContact O-CA 3.42Å; K361-E377 HydrophobicContact CB-CG 4.19Å; K361-E377 PolarHBondContact N-OE1 3.43Å; K361-E377 PolarHBondContact O-N 2.79Å | ||
| 362 | L | 92.9 | Very high | 90.9 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 115.4 | 166.4 | -177.2 | 66.1 | 0 | 0 | 0 | 110.5 | L348 V351 K352 V360 V365 L374 T376 | L348-L362 HydrophobicContact CD2-CD2 4.45Å; V351-L362 HydrophobicContact CB-CD2 4.4Å; V351-L362 HydrophobicContact CG1-CB 4.43Å; V351-L362 HydrophobicContact CG1-CD2 4.08Å; K352-L362 HydrophobicContact CB-CD2 4.24Å; V360-L362 PolarHBondContact O-N 3.07Å; L362-V365 HydrophobicContact CD1-CG1 4.46Å; L362-L374 HydrophobicContact CD1-CB 4.45Å; L362-T376 HydrophobicContact CD1-CG2 4.17Å |
| 363 | I | 91.6 | Very high | 91 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | -40.5 | 178.8 | -63.3 | 175.1 | 0 | 0 | 0 | 110.1 | V328 K352 K361 Y375 | V328-I363 HydrophobicContact CB-CD1 4.01Å; V328-I363 HydrophobicContact CG1-CD1 3.31Å; K352-I363 PolarHBondContact NZ-O 3.14Å; K361-I363 PolarHBondContact O-N 2.87Å; I363-Y375 WeakPolarHBondContact CA-O 3.47Å; I363-Y375 WeakPolarHBondContact CB-O 3.39Å; I363-Y375 PolarHBondContact N-O 2.94Å |
| 364 | G | 90.7 | Very high | 91 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | -172.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | W291 Y375 | W291-G364 CarbonylContact O-C 3.58Å; W291-G364 WeakPolarHBondContact O-CA 3.32Å; G364-Y375 PolarHBondContact N-O 3.13Å; G364-Y375 PolarHBondContact O-N 3.15Å |
| 365 | V | 91.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 155.3 | 177.6 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | W291 V292 L293 L348 L362 L372 S373 L374 | W291-V365 HydrophobicContact CE3-CG2 3.83Å; W291-V365 HydrophobicContact CZ3-CG2 3.49Å; W291-V365 VanDerWaalsContact CZ3-CG2 3.49Å; W291-V365 PolarHBondContact O-N 3.09Å; V292-V365 CarbonylContact C-O 3.6Å; V292-V365 WeakPolarHBondContact CA-O 3.34Å; L293-V365 PolarHBondContact N-O 3.19Å; L348-V365 HydrophobicContact CD1-CG2 4.46Å; L348-V365 HydrophobicContact CD2-CG1 3.79Å; L362-V365 HydrophobicContact CD1-CG1 4.46Å; V365-L372 HydrophobicContact CB-CD1 4.14Å; V365-L372 HydrophobicContact CG2-CD1 4.32Å; V365-S373 CarbonylContact C-O 3.34Å; V365-S373 WeakPolarHBondContact CA-O 3.3Å; V365-S373 WeakPolarHBondContact CB-O 3.4Å; V365-L374 HydrophobicContact CB-CD2 4.38Å; V365-L374 HydrophobicContact CG1-CD2 3.45Å; V365-L374 VanDerWaalsContact CG1-CD2 3.45Å |
| 366 | T | 90.7 | Very high | 91.2 | Very high | 8 Ų | 8 | 34.5 Ų | 34.5 | 5% | 0.049 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 143.3 | 159.2 | 61.4 | 0 | 0 | 0 | 0 | 108 | L293 P295 I298 S373 Y375 | L293-T366 HydrophobicContact CB-CG2 3.94Å; L293-T366 WeakPolarHBondContact O-CG2 3.19Å; P295-T366 HydrophobicContact CG-CG2 4.22Å; I298-T366 HydrophobicContact CD1-CG2 3.59Å; T366-S373 PolarHBondContact N-O 2.77Å; T366-S373 PolarHBondContact O-N 3.15Å; T366-S373 WeakPolarHBondContact OG1-CB 3.36Å; T366-Y375 HydrophobicContact CG2-CE2 3.62Å; T366-Y375 WeakPolarHBondContact OG1-CE2 3.17Å; T366-Y375 PolarHBondContact OG1-OH 2.87Å |
| 367 | F | 88.9 | Confident | 91 | Very high | 46 Ų | 46 | 34.4 Ų | 34.4 | 20% | 0.202 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 112.7 | 178.4 | 178.9 | -115.1 | 0 | 0 | 0 | 109.6 | V335 F337 T338 L340 L372 | V335-F367 HydrophobicContact CG2-CD2 4.42Å; V335-F367 HydrophobicContact CG2-CE2 3.54Å; V335-F367 HydrophobicContact CG2-CZ 4.33Å; F337-F367 HydrophobicContact CD2-CE1 4.35Å; F337-F367 HydrophobicContact CD2-CE2 4Å; F337-F367 AromaticContact CD2-CZ 3.64Å; F337-F367 HydrophobicContact CD2-CZ 3.64Å; F337-F367 HydrophobicContact CE2-CD2 4.22Å; F337-F367 HydrophobicContact CE2-CE1 4.37Å; F337-F367 AromaticContact CE2-CE2 3.61Å; F337-F367 HydrophobicContact CE2-CE2 3.61Å; F337-F367 AromaticContact CE2-CZ 3.68Å; F337-F367 HydrophobicContact CE2-CZ 3.68Å; F337-F367 WeakPolarHBondContact O-CZ 3.31Å; T338-F367 WeakPolarHBondContact O-CE1 3.38Å; L340-F367 HydrophobicContact CD1-CB 4Å; L340-F367 HydrophobicContact CD1-CD1 4.37Å; L340-F367 HydrophobicContact CD1-CG 4.25Å; L340-F367 HydrophobicContact CG-CB 4.45Å; L340-F367 HydrophobicContact CG-CD1 4.03Å; L340-F367 HydrophobicContact CG-CG 4.16Å; F367-L372 HydrophobicContact CB-CD1 4.05Å; F367-L372 HydrophobicContact CD2-CB 4.02Å; F367-L372 HydrophobicContact CD2-CD1 4.1Å; F367-L372 HydrophobicContact CG-CD1 4.43Å |
| 368 | I | 86.5 | Confident | 90.9 | Very high | 113 Ų | 113 | 30 Ų | 30 | 58% | 0.579 | 16% | 0.159 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 92.6 | 175.5 | -57.8 | 175.3 | 0 | 0 | 0 | 104.9 | V371 | I368-V371 CarbonylContact C-O 3.6Å; I368-V371 PolarHBondContact N-O 3.11Å; I368-V371 WeakPolarHBondContact O-CA 3.26Å; I368-V371 PolarHBondContact O-N 3.19Å |
| 369 | S | 84.5 | Confident | 90.6 | Very high | 54 Ų | 54 | 29.6 Ų | 29.6 | 38% | 0.378 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | 130.8 | -175.1 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | F337 | F337-S369 PolarHBondContact O-OG 2.73Š|
| 370 | P | 87.5 | Confident | 89.9 | Confident | 70 Ų | 70 | 31.9 Ų | 31.9 | 46% | 0.455 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -93.5 | 18.8 | 9.3 | 37.9 | -36.8 | 0 | 0 | 0 | 114.7 | Y334 V335 | Y334-P370 CarbonylContact C-O 3.55Å; Y334-P370 WeakPolarHBondContact CA-O 3.39Å; Y334-P370 HydrophobicContact CD1-CG 4.4Å; V335-P370 WeakPolarHBondContact CG2-O 3.14Å; V335-P370 PolarHBondContact N-O 3Å; V335-P370 WeakPolarHBondContact O-CB 3.18Å |
| 371 | V | 88.5 | Confident | 89.5 | Confident | 28 Ų | 28 | 35 Ų | 35 | 17% | 0.17 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 116.8 | -172.8 | -174.6 | 0 | 0 | 0 | 0 | 111.5 | Q332 Y334 I368 | Q332-V371 HydrophobicContact CB-CG1 4.1Å; Q332-V371 HydrophobicContact CG-CG1 4.35Å; Y334-V371 HydrophobicContact CD1-CG2 3.98Å; Y334-V371 HydrophobicContact CE1-CG2 3.73Å; I368-V371 CarbonylContact C-O 3.6Å; I368-V371 PolarHBondContact N-O 3.11Å; I368-V371 WeakPolarHBondContact O-CA 3.26Å; I368-V371 PolarHBondContact O-N 3.19Å |
| 372 | L | 89.2 | Confident | 89.1 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 119 | 165.4 | 178.7 | 65.5 | 0 | 0 | 0 | 108.8 | I333 V335 V365 F367 L374 | I333-L372 PolarHBondContact N-O 2.83Å; I333-L372 PolarHBondContact O-N 2.94Å; V335-L372 HydrophobicContact CG1-CB 4.14Å; V335-L372 HydrophobicContact CG2-CB 4.34Å; V365-L372 HydrophobicContact CB-CD1 4.14Å; V365-L372 HydrophobicContact CG2-CD1 4.32Å; F367-L372 HydrophobicContact CB-CD1 4.05Å; F367-L372 HydrophobicContact CD2-CB 4.02Å; F367-L372 HydrophobicContact CD2-CD1 4.1Å; F367-L372 HydrophobicContact CG-CD1 4.43Å; L372-L374 HydrophobicContact CD2-CD2 4.19Å; L372-L374 HydrophobicContact CG-CD2 4.15Å |
| 373 | S | 91.2 | Very high | 89.1 | Confident | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123 | 175.2 | -48.8 | 0 | 0 | 0 | 0 | 110.1 | K331 V365 T366 | K331-S373 CarbonylContact O-C 3.53Å; K331-S373 WeakPolarHBondContact O-CA 3.39Å; V365-S373 CarbonylContact C-O 3.34Å; V365-S373 WeakPolarHBondContact CA-O 3.3Å; V365-S373 WeakPolarHBondContact CB-O 3.4Å; T366-S373 PolarHBondContact N-O 2.77Å; T366-S373 PolarHBondContact O-N 3.15Å; T366-S373 WeakPolarHBondContact OG1-CB 3.36Å |
| 374 | L | 90.7 | Very high | 89.1 | Confident | 10 Ų | 10 | 29.2 Ų | 29.2 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 129.7 | 176.6 | -54.7 | 178.9 | 0 | 0 | 0 | 109.3 | M330 K331 I333 L348 L362 V365 L372 L444 | M330-L374 VanDerWaalsContact CA-O 3.31Å; M330-L374 WeakPolarHBondContact CA-O 3.4Å; K331-L374 PolarHBondContact N-O 2.98Å; K331-L374 PolarHBondContact O-N 2.94Å; I333-L374 HydrophobicContact CD1-CD1 3.58Å; I333-L374 HydrophobicContact CD1-CG 4.08Å; L348-L374 HydrophobicContact CD2-CD2 4.45Å; L362-L374 HydrophobicContact CD1-CB 4.45Å; V365-L374 HydrophobicContact CB-CD2 4.38Å; V365-L374 HydrophobicContact CG1-CD2 3.45Å; V365-L374 VanDerWaalsContact CG1-CD2 3.45Å; L372-L374 HydrophobicContact CD2-CD2 4.19Å; L372-L374 HydrophobicContact CG-CD2 4.15Å; L374-L444 HydrophobicContact CD1-CD1 3.58Å; L374-L444 HydrophobicContact CD2-CD1 4.08Å; L374-L444 HydrophobicContact CG-CD1 4.46Å |
| 375 | Y | 92.6 | Very high | 89.2 | Confident | 13 Ų | 13 | 29.8 Ų | 29.8 | 5% | 0.051 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.7 | 177.5 | -61.9 | -97.5 | 0 | 0 | 0 | 109.3 | L293 I298 K321 I323 V328 A329 M330 I363 G364 T366 | L293-Y375 HydrophobicContact CD1-CD1 4.44Å; L293-Y375 HydrophobicContact CD1-CD2 3.52Å; L293-Y375 HydrophobicContact CD1-CE2 4.25Å; L293-Y375 HydrophobicContact CD1-CG 3.63Å; I298-Y375 HydrophobicContact CD1-CD1 4.46Å; I298-Y375 HydrophobicContact CD1-CE1 3.71Å; I298-Y375 HydrophobicContact CD1-CE2 3.92Å; I298-Y375 WeakPolarHBondContact CD1-OH 3.42Å; I298-Y375 HydrophobicContact CG2-CE1 3.72Å; K321-Y375 HydrophobicContact CB-CE1 4.42Å; K321-Y375 HydrophobicContact CG-CE1 4.21Å; I323-Y375 HydrophobicContact CD1-CD1 3.85Å; I323-Y375 HydrophobicContact CD1-CE1 4.48Å; I323-Y375 HydrophobicContact CD1-CG 4.14Å; V328-Y375 HydrophobicContact CG2-CD1 3.85Å; A329-Y375 CarbonylContact O-C 3.59Å; A329-Y375 WeakPolarHBondContact O-CA 3.42Å; M330-Y375 HydrophobicContact CB-CD1 3.88Å; M330-Y375 HydrophobicContact CB-CE1 3.78Å; M330-Y375 HydrophobicContact CG-CD1 3.87Å; M330-Y375 HydrophobicContact CG-CE1 3.41Å; M330-Y375 VanDerWaalsContact CG-CE1 3.41Å; M330-Y375 HydrophobicContact CG-CE2 4.29Å; I363-Y375 WeakPolarHBondContact CA-O 3.47Å; I363-Y375 WeakPolarHBondContact CB-O 3.39Å; I363-Y375 PolarHBondContact N-O 2.94Å; G364-Y375 PolarHBondContact N-O 3.13Å; G364-Y375 PolarHBondContact O-N 3.15Å; T366-Y375 HydrophobicContact CG2-CE2 3.62Å; T366-Y375 WeakPolarHBondContact OG1-CE2 3.17Å; T366-Y375 PolarHBondContact OG1-OH 2.87Å |
| 376 | T | 92.6 | Very high | 89.1 | Confident | 25 Ų | 25 | 32 Ų | 32 | 15% | 0.153 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 165 | 179.6 | 63.8 | 0 | 0 | 0 | 0 | 111.2 | V328 A329 V360 K361 L362 | V328-T376 WeakPolarHBondContact CA-O 3.22Å; V328-T376 WeakPolarHBondContact CB-O 3.47Å; A329-T376 PolarHBondContact N-O 2.93Å; A329-T376 PolarHBondContact O-N 3.12Å; V360-T376 HydrophobicContact CG1-CG2 4.1Å; K361-T376 CarbonylContact O-C 3.56Å; K361-T376 VanDerWaalsContact O-CA 3.31Å; K361-T376 WeakPolarHBondContact O-CA 3.42Å; L362-T376 HydrophobicContact CD1-CG2 4.17Å |
| 377 | E | 91.3 | Very high | 88.9 | Confident | 50 Ų | 50 | 31.6 Ų | 31.6 | 23% | 0.234 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.1 | 144 | 168.7 | 66.8 | 177.6 | 145.1 | 0 | 0 | 111.3 | V360 K361 K438 | V360-E377 WeakPolarHBondContact CA-OE1 3.49Å; V360-E377 HydrophobicContact CG1-CG 3.89Å; K361-E377 HydrophobicContact CB-CG 4.19Å; K361-E377 PolarHBondContact N-OE1 3.43Å; K361-E377 PolarHBondContact O-N 2.79Å; E377-K438 IonicContact OE1-NZ 2.77Å; E377-K438 PolarHBondContact OE1-NZ 3.08Å; E377-K438 IonicContact OE2-NZ 3.19Å; E377-K438 PolarHBondContact OE2-NZ 3.15Å |
| 378 | F | 89.1 | Confident | 89 | Confident | 37 Ų | 37 | 29.4 Ų | 29.4 | 16% | 0.162 | 16% | 0.158 | C | C | . | . | trans | -91 | 128.1 | 179.9 | 173.8 | -125.9 | 0 | 0 | 0 | 111 | W307 F311 L320 P327 D380 | W307-F378 HydrophobicContact CZ3-CE1 4.11Å; F311-F378 HydrophobicContact CB-CZ 4.39Å; F311-F378 HydrophobicContact CD1-CE2 4.47Å; F311-F378 HydrophobicContact CD2-CD2 4.33Å; F311-F378 AromaticContact CD2-CE2 3.23Å; F311-F378 HydrophobicContact CD2-CE2 3.23Å; F311-F378 AromaticContact CD2-CZ 3.67Å; F311-F378 HydrophobicContact CD2-CZ 3.67Å; F311-F378 HydrophobicContact CE1-CE2 4.44Å; F311-F378 AromaticContact CE2-CD2 3.94Å; F311-F378 HydrophobicContact CE2-CD2 3.94Å; F311-F378 AromaticContact CE2-CE2 3.22Å; F311-F378 HydrophobicContact CE2-CE2 3.22Å; F311-F378 HydrophobicContact CE2-CZ 4.13Å; F311-F378 AromaticContact CG-CE2 3.89Å; F311-F378 HydrophobicContact CG-CE2 3.89Å; F311-F378 AromaticContact CG-CZ 3.99Å; F311-F378 HydrophobicContact CG-CZ 3.99Å; F311-F378 HydrophobicContact CZ-CD2 4.23Å; F311-F378 AromaticContact CZ-CE2 3.85Å; F311-F378 HydrophobicContact CZ-CE2 3.85Å; L320-F378 HydrophobicContact CD1-CB 4.19Å; L320-F378 HydrophobicContact CD1-CD1 3.73Å; L320-F378 HydrophobicContact CD1-CD2 3.65Å; L320-F378 HydrophobicContact CD1-CE1 3.96Å; L320-F378 HydrophobicContact CD1-CE2 3.98Å; L320-F378 HydrophobicContact CD1-CG 3.54Å; L320-F378 HydrophobicContact CD1-CZ 4.08Å; P327-F378 HydrophobicContact CB-CB 4.4Å; P327-F378 HydrophobicContact CB-CD1 3.89Å; P327-F378 HydrophobicContact CB-CG 4.47Å; P327-F378 HydrophobicContact CG-CD1 4.11Å; P327-F378 WeakPolarHBondContact O-CB 3.33Å; F378-D380 HydrophobicContact CD1-CB 4.5Å; F378-D380 HydrophobicContact CE1-CB 3.77Å; F378-D380 HydrophobicContact CZ-CB 3.92Å | ||
| 379 | C | 88.6 | Confident | 89 | Confident | 10 Ų | 10 | 28.2 Ų | 28.2 | 7% | 0.068 | 15% | 0.146 | C | C | . | . | trans | -109.2 | 108.4 | 175.3 | -71.5 | 0 | 0 | 0 | 0 | 109.6 | R381 G382 V430 V431 | C379-R381 PolarHBondContact O-N 2.78Å; C379-G382 PolarHBondContact O-N 2.76Å; C379-V430 HydrophobicContact CB-CB 3.86Å; C379-V430 HydrophobicContact CB-CG2 3.76Å; C379-V431 CarbonylContact C-O 3.5Å; C379-V431 WeakPolarHBondContact CB-O 3.46Å | ||
| 380 | D | 82.4 | Confident | 88.9 | Confident | 49 Ų | 49 | 30.1 Ų | 30.1 | 26% | 0.262 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -16.7 | -163.6 | 72.5 | -14.9 | 0 | 0 | 0 | 115.4 | R314 F378 G382 D433 | R314-D380 PolarHBondContact NH1-O 3.08Å; F378-D380 HydrophobicContact CD1-CB 4.5Å; F378-D380 HydrophobicContact CE1-CB 3.77Å; F378-D380 HydrophobicContact CZ-CB 3.92Å; D380-G382 VanDerWaalsContact C-N 3.31Å; D380-D433 WeakPolarHBondContact OD1-CA 3.45Å; D380-D433 PolarHBondContact OD1-N 3.31Å |
| 381 | R | 83.9 | Confident | 88.4 | Confident | 72 Ų | 72 | 32.2 Ų | 32.2 | 27% | 0.272 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -14.3 | 175.5 | -54.7 | -66.3 | 174.4 | -103.3 | -8.7 | 112.3 | C379 Y386 V387 V431 S432 D433 | C379-R381 PolarHBondContact O-N 2.78Å; R381-Y386 WeakPolarHBondContact O-CD1 3.43Å; R381-V387 HydrophobicContact CB-CG2 4.07Å; R381-V431 HydrophobicContact CB-CB 3.89Å; R381-V431 HydrophobicContact CB-CG1 4.01Å; R381-V431 WeakPolarHBondContact CB-O 3.46Å; R381-V431 HydrophobicContact CG-CB 4.49Å; R381-V431 HydrophobicContact CG-CG1 4.1Å; R381-V431 PolarHBondContact N-O 2.75Å; R381-S432 WeakPolarHBondContact CG-O 3.47Å; R381-D433 PolarHBondContact NH2-O 3.31Å |
| 382 | G | 86.6 | Confident | 87.6 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.6 | -156.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C379 D380 V430 V431 | C379-G382 PolarHBondContact O-N 2.76Å; D380-G382 VanDerWaalsContact C-N 3.31Å; G382-V430 CarbonylContact O-C 3.56Å; G382-V430 VanDerWaalsContact O-CA 3.28Å; G382-V430 WeakPolarHBondContact O-CA 3.4Å; G382-V431 PolarHBondContact O-N 3.47Å |
| 383 | S | 91.6 | Very high | 87 | Confident | 16 Ų | 16 | 33.8 Ų | 33.8 | 11% | 0.112 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 158.9 | 177.8 | 55.6 | 0 | 0 | 0 | 0 | 112.7 | C385 Y386 V387 C429 | S383-C385 VanDerWaalsContact C-N 3.34Å; S383-C385 PolarHBondContact O-N 2.86Å; S383-C385 PolarHBondContact OG-SG 3.25Å; S383-Y386 PolarHBondContact O-N 3.01Å; S383-V387 WeakPolarHBondContact O-CG2 3.41Å; S383-V387 PolarHBondContact O-N 3.31Å; S383-C429 CarbonylContact C-O 3.53Å; S383-C429 WeakPolarHBondContact CA-O 3.47Å |
| 384 | L | 93.1 | Very high | 86 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 177.5 | -179.7 | 63 | 0 | 0 | 0 | 111.1 | Y386 V387 L388 F403 L407 S426 C429 V431 I493 | L384-Y386 VanDerWaalsContact C-N 3.29Å; L384-Y386 PolarHBondContact O-N 2.96Å; L384-V387 PolarHBondContact O-N 2.93Å; L384-V387 VanDerWaalsContact O-N 3.13Å; L384-L388 HydrophobicContact CD1-CD1 4.02Å; L384-L388 HydrophobicContact CD1-CD2 4.3Å; L384-L388 HydrophobicContact CD1-CG 3.88Å; L384-L388 HydrophobicContact CD2-CD1 4.25Å; L384-L388 HydrophobicContact CG-CD1 3.71Å; L384-L388 HydrophobicContact CG-CG 4.05Å; L384-L388 WeakPolarHBondContact O-CB 3.36Å; L384-L388 VanDerWaalsContact O-CG 3.31Å; L384-L388 WeakPolarHBondContact O-CG 3.46Å; L384-L388 PolarHBondContact O-N 2.95Å; L384-F403 HydrophobicContact CD1-CB 4.43Å; L384-F403 HydrophobicContact CD1-CD2 3.65Å; L384-F403 HydrophobicContact CD1-CE2 4.08Å; L384-F403 HydrophobicContact CD1-CG 4.18Å; L384-L407 HydrophobicContact CD2-CD1 3.85Å; L384-S426 WeakPolarHBondContact CB-O 3.42Å; L384-S426 PolarHBondContact N-O 2.92Å; L384-S426 VanDerWaalsContact N-O 3.11Å; L384-C429 HydrophobicContact CB-CB 3.81Å; L384-C429 HydrophobicContact CD2-CB 4.17Å; L384-C429 PolarHBondContact N-O 3.31Å; L384-V431 HydrophobicContact CD1-CG2 4.17Å; L384-I493 HydrophobicContact CD2-CG2 3.84Å |
| 385 | C | 91.9 | Very high | 85.4 | Confident | 13 Ų | 13 | 33.1 Ų | 33.1 | 9% | 0.088 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.6 | -43.4 | 175.4 | 59.4 | 0 | 0 | 0 | 0 | 112.1 | S383 V387 L388 R389 S426 S427 E496 | S383-C385 VanDerWaalsContact C-N 3.34Å; S383-C385 PolarHBondContact O-N 2.86Å; S383-C385 PolarHBondContact OG-SG 3.25Å; C385-V387 PolarHBondContact O-N 2.83Å; C385-L388 PolarHBondContact O-N 2.8Å; C385-R389 WeakPolarHBondContact O-CB 3.37Å; C385-R389 WeakPolarHBondContact O-CD 3.36Å; C385-R389 WeakPolarHBondContact O-CG 3.31Å; C385-R389 PolarHBondContact O-N 3.37Å; C385-S426 WeakPolarHBondContact CB-OG 3.37Å; C385-S426 PolarHBondContact N-O 3.3Å; C385-S427 PolarHBondContact SG-OG 3.24Å; C385-E496 WeakPolarHBondContact CB-OE1 3.45Å |
| 386 | Y | 89 | Confident | 84.6 | Confident | 47 Ų | 47 | 33.1 Ų | 33.1 | 18% | 0.184 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.8 | -39.9 | 177.7 | 172.8 | -94.9 | 0 | 0 | 0 | 112 | R314 R381 S383 L384 R390 | R314-Y386 HydrophobicContact CG-CD1 4.01Å; R314-Y386 HydrophobicContact CG-CD2 3.99Å; R314-Y386 HydrophobicContact CG-CE1 3.67Å; R314-Y386 HydrophobicContact CG-CE2 3.65Å; R314-Y386 HydrophobicContact CG-CG 4.15Å; R314-Y386 VanDerWaalsContact CG-CZ 3.46Å; R314-Y386 PolarHBondContact NE-OH 3.34Å; R314-Y386 PolarHBondContact NH2-OH 3.34Å; R381-Y386 WeakPolarHBondContact O-CD1 3.43Å; S383-Y386 PolarHBondContact O-N 3.01Å; L384-Y386 VanDerWaalsContact C-N 3.29Å; L384-Y386 PolarHBondContact O-N 2.96Å; Y386-R390 WeakPolarHBondContact O-CB 3.35Å; Y386-R390 PolarHBondContact OH-NH1 3.41Å |
| 387 | V | 88 | Confident | 84.2 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.1 | -45.6 | 178 | 170 | 0 | 0 | 0 | 0 | 111.4 | R381 S383 L384 C385 I393 L395 F403 V431 W435 | R381-V387 HydrophobicContact CB-CG2 4.07Å; S383-V387 WeakPolarHBondContact O-CG2 3.41Å; S383-V387 PolarHBondContact O-N 3.31Å; L384-V387 PolarHBondContact O-N 2.93Å; L384-V387 VanDerWaalsContact O-N 3.13Å; C385-V387 PolarHBondContact O-N 2.83Å; V387-I393 HydrophobicContact CG1-CG2 4.41Å; V387-L395 HydrophobicContact CG1-CD1 4.04Å; V387-L395 HydrophobicContact CG1-CD2 3.98Å; V387-F403 HydrophobicContact CG1-CE2 4.22Å; V387-F403 HydrophobicContact CG1-CZ 4.38Å; V387-V431 HydrophobicContact CG2-CB 4.23Å; V387-V431 HydrophobicContact CG2-CG2 4.13Å; V387-W435 HydrophobicContact CG1-CZ3 3.85Å |
| 388 | L | 89.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.9 | -46.1 | -178.8 | -68.4 | 174.4 | 0 | 0 | 0 | 111.9 | L384 C385 R390 L395 E496 T497 R500 | L384-L388 HydrophobicContact CD1-CD1 4.02Å; L384-L388 HydrophobicContact CD1-CD2 4.3Å; L384-L388 HydrophobicContact CD1-CG 3.88Å; L384-L388 HydrophobicContact CD2-CD1 4.25Å; L384-L388 HydrophobicContact CG-CD1 3.71Å; L384-L388 HydrophobicContact CG-CG 4.05Å; L384-L388 WeakPolarHBondContact O-CB 3.36Å; L384-L388 VanDerWaalsContact O-CG 3.31Å; L384-L388 WeakPolarHBondContact O-CG 3.46Å; L384-L388 PolarHBondContact O-N 2.95Å; C385-L388 PolarHBondContact O-N 2.8Å; L388-R390 PolarHBondContact O-N 3.38Å; L388-L395 HydrophobicContact CD2-CD1 3.81Å; L388-E496 HydrophobicContact CD1-CB 4.42Å; L388-E496 HydrophobicContact CD1-CG 3.81Å; L388-T497 HydrophobicContact CD2-CG2 4.29Å; L388-R500 PolarHBondContact O-NE 3.45Å; L388-R500 PolarHBondContact O-NH2 3.38Å |
| 389 | R | 87.9 | Confident | 83.3 | Confident | 88 Ų | 88 | 27.8 Ų | 27.8 | 33% | 0.332 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -6.5 | -173.7 | -62.2 | 168.3 | -164.2 | -162 | -2.7 | 114.3 | C385 E496 D502 | C385-R389 WeakPolarHBondContact O-CB 3.37Å; C385-R389 WeakPolarHBondContact O-CD 3.36Å; C385-R389 WeakPolarHBondContact O-CG 3.31Å; C385-R389 PolarHBondContact O-N 3.37Å; R389-E496 IonicContact CZ-OE1 2.71Å; R389-E496 IonicContact NE-OE1 2.55Å; R389-E496 PolarHBondContact NE-OE1 3.17Å; R389-E496 IonicContact NH2-OE1 3.64Å; R389-E496 PolarHBondContact NH2-OE1 3.44Å; R389-D502 VanDerWaalsContact CZ-CG 3.48Å; R389-D502 IonicContact CZ-OD2 2.68Å; R389-D502 VanDerWaalsContact NH1-CG 3.27Å; R389-D502 IonicContact NH1-OD2 3.42Å; R389-D502 PolarHBondContact NH1-OD2 3.4Å; R389-D502 VanDerWaalsContact NH2-CG 3.29Å; R389-D502 IonicContact NH2-OD1 2.74Å; R389-D502 PolarHBondContact NH2-OD1 3.31Å; R389-D502 IonicContact NH2-OD2 2.72Å; R389-D502 PolarHBondContact NH2-OD2 2.99Å |
| 390 | R | 82.6 | Confident | 83.3 | Confident | 94 Ų | 94 | 27.4 Ų | 27.4 | 36% | 0.355 | 13% | 0.132 | S | C | . | . | trans | -95.3 | 102 | -177.7 | -174.1 | 170.4 | 174.3 | 179.3 | -3.8 | 111.4 | Y386 L388 S392 I393 R500 | Y386-R390 WeakPolarHBondContact O-CB 3.35Å; Y386-R390 PolarHBondContact OH-NH1 3.41Å; L388-R390 PolarHBondContact O-N 3.38Å; R390-S392 WeakPolarHBondContact CG-OG 3.48Å; R390-S392 PolarHBondContact NE-OG 3.5Å; R390-S392 PolarHBondContact NH2-OG 2.79Å; R390-S392 PolarHBondContact O-N 3.29Å; R390-S392 VanDerWaalsContact O-N 3.1Å; R390-I393 HydrophobicContact CB-CD1 4.04Å; R390-I393 HydrophobicContact CB-CG1 4.15Å; R390-I393 HydrophobicContact CG-CD1 4.21Å; R390-I393 HydrophobicContact CG-CG1 4Å; R390-I393 WeakPolarHBondContact O-CB 3.42Å; R390-I393 PolarHBondContact O-N 2.87Å; R390-R500 PolarHBondContact O-NH2 2.87Å | ||
| 391 | D | 77.3 | Confident | 83.6 | Confident | 113 Ų | 113 | 25.1 Ų | 25.1 | 60% | 0.604 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -31.6 | 179.8 | -61.7 | -15.5 | 0 | 0 | 0 | 113.8 | I393 Y532 | D391-I393 PolarHBondContact O-N 3.16Å; D391-I393 VanDerWaalsContact O-N 3.16Å; D391-Y532 WeakPolarHBondContact O-CE2 3.49Å |
| 392 | S | 71.7 | Confident | 83.8 | Confident | 50 Ų | 50 | 22 Ų | 22 | 35% | 0.35 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -8.7 | 178.8 | 78.2 | 0 | 0 | 0 | 0 | 113.9 | R390 P394 | R390-S392 WeakPolarHBondContact CG-OG 3.48Å; R390-S392 PolarHBondContact NE-OG 3.5Å; R390-S392 PolarHBondContact NH2-OG 2.79Å; R390-S392 PolarHBondContact O-N 3.29Å; R390-S392 VanDerWaalsContact O-N 3.1Å; S392-P394 VanDerWaalsContact O-CD 3.26Å; S392-P394 WeakPolarHBondContact O-CD 3.38Å |
| 393 | I | 75.5 | Confident | 84 | Confident | 12 Ų | 12 | 21.9 Ų | 21.9 | 6% | 0.062 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -95.2 | 106 | 175.2 | -62 | -178.9 | 0 | 0 | 0 | 107.5 | V387 R390 D391 L395 W435 R500 Y587 | V387-I393 HydrophobicContact CG1-CG2 4.41Å; R390-I393 HydrophobicContact CB-CD1 4.04Å; R390-I393 HydrophobicContact CB-CG1 4.15Å; R390-I393 HydrophobicContact CG-CD1 4.21Å; R390-I393 HydrophobicContact CG-CG1 4Å; R390-I393 WeakPolarHBondContact O-CB 3.42Å; R390-I393 PolarHBondContact O-N 2.87Å; D391-I393 PolarHBondContact O-N 3.16Å; D391-I393 VanDerWaalsContact O-N 3.16Å; I393-L395 HydrophobicContact CG2-CD2 3.62Å; I393-L395 HydrophobicContact CG2-CG 4Å; I393-L395 PolarHBondContact O-N 2.87Å; I393-W435 HydrophobicContact CG2-CH2 3.57Å; I393-W435 HydrophobicContact CG2-CZ3 4.1Å; I393-R500 PolarHBondContact O-NH1 3.3Å; I393-R500 PolarHBondContact O-NH2 2.86Å; I393-Y587 HydrophobicContact CG2-CE2 3.69Å |
| 394 | P | 71.1 | Confident | 84.2 | Confident | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.013 | 10% | 0.103 | C | C | . | . | trans | -65.6 | 116.4 | 174.2 | 25.3 | -36.3 | 0 | 0 | 0 | 111.2 | S392 Y532 Y587 C590 L591 I594 | S392-P394 VanDerWaalsContact O-CD 3.26Å; S392-P394 WeakPolarHBondContact O-CD 3.38Å; P394-Y532 VanDerWaalsContact CB-CB 3.47Å; P394-Y532 HydrophobicContact CB-CD1 4.13Å; P394-Y532 HydrophobicContact CB-CD2 4.34Å; P394-Y532 HydrophobicContact CB-CG 3.68Å; P394-Y587 VanDerWaalsContact CD-CE2 3.44Å; P394-Y587 HydrophobicContact CG-CD2 3.75Å; P394-Y587 HydrophobicContact CG-CE2 3.5Å; P394-Y587 VanDerWaalsContact CG-CE2 3.5Å; P394-Y587 WeakPolarHBondContact O-CD2 3.16Å; P394-C590 HydrophobicContact CB-CB 3.64Å; P394-C590 WeakPolarHBondContact CB-SG 3.48Å; P394-C590 HydrophobicContact CG-CB 3.81Å; P394-L591 HydrophobicContact CG-CD2 4.36Å; P394-L591 HydrophobicContact CG-CG 4.39Å; P394-I594 HydrophobicContact CB-CD1 4.25Å; P394-I594 HydrophobicContact CG-CD1 4.02Å | ||
| 395 | L | 76.8 | Confident | 84.2 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | trans | -118.9 | 104 | 177.9 | -58.5 | 177.1 | 0 | 0 | 0 | 110.1 | V387 L388 I393 L399 R400 F403 W435 | V387-L395 HydrophobicContact CG1-CD1 4.04Å; V387-L395 HydrophobicContact CG1-CD2 3.98Å; L388-L395 HydrophobicContact CD2-CD1 3.81Å; I393-L395 HydrophobicContact CG2-CD2 3.62Å; I393-L395 HydrophobicContact CG2-CG 4Å; I393-L395 PolarHBondContact O-N 2.87Å; L395-L399 HydrophobicContact CD2-CD2 3.52Å; L395-L399 HydrophobicContact CD2-CG 4.1Å; L395-R400 HydrophobicContact CB-CG 4.07Å; L395-R400 PolarHBondContact O-NE 3.43Å; L395-R400 PolarHBondContact O-NH2 3.29Å; L395-R400 VanDerWaalsContact O-NH2 3.07Å; L395-F403 HydrophobicContact CD2-CE2 4.13Å; L395-F403 HydrophobicContact CD2-CZ 4.34Å; L395-W435 HydrophobicContact CD2-CZ3 4.01Å | ||
| 396 | S | 77.3 | Confident | 84.2 | Confident | 12 Ų | 12 | 22 Ų | 22 | 8% | 0.084 | 11% | 0.11 | C | C | . | . | trans | -63.1 | 155.8 | 171.1 | 67 | 0 | 0 | 0 | 0 | 110.9 | S398 L399 R400 E586 | S396-S398 PolarHBondContact O-N 2.92Å; S396-L399 WeakPolarHBondContact O-CB 3.48Å; S396-L399 PolarHBondContact O-N 3.12Å; S396-L399 WeakPolarHBondContact OG-CB 3.49Å; S396-L399 PolarHBondContact OG-N 3.33Å; S396-L399 VanDerWaalsContact OG-N 3.11Å; S396-R400 WeakPolarHBondContact O-CG 3.48Å; S396-R400 PolarHBondContact O-N 3.45Å; S396-E586 PolarHBondContact OG-OE2 3.11Å | ||
| 397 | W | 83.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.4 | -32.9 | 173.9 | -88.8 | 104.6 | 0 | 0 | 0 | 113 | L399 R400 I401 A498 F526 E533 T535 P538 Y543 | W397-L399 VanDerWaalsContact C-N 3.33Å; W397-L399 PolarHBondContact O-N 2.77Å; W397-R400 HydrophobicContact CE3-CB 4.27Å; W397-R400 PolarHBondContact O-N 2.62Å; W397-I401 HydrophobicContact CE3-CD1 4.48Å; W397-I401 HydrophobicContact CE3-CG1 4.43Å; W397-I401 WeakPolarHBondContact O-CB 3.3Å; W397-I401 WeakPolarHBondContact O-CG1 3.47Å; W397-I401 PolarHBondContact O-N 3.43Å; W397-A498 HydrophobicContact CH2-CB 3.78Å; W397-F526 AromaticContact CE2-CD1 3.87Å; W397-F526 AromaticContact CH2-CD1 3.32Å; W397-F526 HydrophobicContact CH2-CD1 3.32Å; W397-F526 AromaticContact CH2-CE1 3.25Å; W397-F526 HydrophobicContact CH2-CE1 3.25Å; W397-F526 HydrophobicContact CH2-CG 4.06Å; W397-F526 AromaticContact CH2-CZ 3.96Å; W397-F526 HydrophobicContact CH2-CZ 3.96Å; W397-F526 HydrophobicContact CZ2-CB 4.01Å; W397-F526 AromaticContact CZ2-CD1 3.15Å; W397-F526 HydrophobicContact CZ2-CD1 3.15Å; W397-F526 HydrophobicContact CZ2-CD2 4.46Å; W397-F526 AromaticContact CZ2-CE1 3.66Å; W397-F526 HydrophobicContact CZ2-CE1 3.66Å; W397-F526 AromaticContact CZ2-CG 3.62Å; W397-F526 HydrophobicContact CZ2-CG 3.62Å; W397-F526 HydrophobicContact CZ2-CZ 4.49Å; W397-F526 HydrophobicContact CZ3-CD1 4.2Å; W397-F526 AromaticContact CZ3-CE1 3.94Å; W397-F526 HydrophobicContact CZ3-CE1 3.94Å; W397-F526 PolarHBondContact NE1-O 3.41Å; W397-E533 PolarHBondContact NE1-OE1 2.88Å; W397-E533 PolarHBondContact NE1-OE2 2.99Å; W397-T535 PolarHBondContact N-OG1 3.23Å; W397-P538 HydrophobicContact CD2-CG 3.87Å; W397-P538 HydrophobicContact CE3-CG 3.55Å; W397-P538 HydrophobicContact CG-CG 4.41Å; W397-P538 HydrophobicContact CH2-CG 4.46Å; W397-P538 HydrophobicContact CZ3-CG 3.87Å; W397-Y543 HydrophobicContact CZ3-CD2 4.41Å; W397-Y543 HydrophobicContact CZ3-CE2 4.02Å |
| 398 | S | 79.3 | Confident | 85 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.4 | -38.7 | 172.3 | -63 | 0 | 0 | 0 | 0 | 112.5 | S396 G402 | S396-S398 PolarHBondContact O-N 2.92Å; S398-G402 PolarHBondContact O-N 3.44Å |
| 399 | L | 81.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.2 | -47.5 | 173.9 | 178.7 | 51.1 | 0 | 0 | 0 | 112.3 | L395 S396 W397 G402 F403 W435 L583 | L395-L399 HydrophobicContact CD2-CD2 3.52Å; L395-L399 HydrophobicContact CD2-CG 4.1Å; S396-L399 WeakPolarHBondContact O-CB 3.48Å; S396-L399 PolarHBondContact O-N 3.12Å; S396-L399 WeakPolarHBondContact OG-CB 3.49Å; S396-L399 PolarHBondContact OG-N 3.33Å; S396-L399 VanDerWaalsContact OG-N 3.11Å; W397-L399 VanDerWaalsContact C-N 3.33Å; W397-L399 PolarHBondContact O-N 2.77Å; L399-G402 CarbonylContact O-C 3.55Å; L399-G402 WeakPolarHBondContact O-CA 3.47Å; L399-G402 PolarHBondContact O-N 3.49Å; L399-G402 VanDerWaalsContact O-N 3.14Å; L399-F403 HydrophobicContact CD1-CD1 4.06Å; L399-F403 HydrophobicContact CD1-CE1 3.32Å; L399-F403 HydrophobicContact CD1-CE2 4.1Å; L399-F403 HydrophobicContact CD1-CZ 3.35Å; L399-F403 HydrophobicContact CD2-CZ 4.22Å; L399-F403 HydrophobicContact CG-CE1 4.12Å; L399-F403 HydrophobicContact CG-CE2 3.98Å; L399-F403 HydrophobicContact CG-CZ 3.64Å; L399-F403 WeakPolarHBondContact O-CG 3.23Å; L399-F403 PolarHBondContact O-N 3.06Å; L399-W435 HydrophobicContact CD1-CB 4.18Å; L399-W435 HydrophobicContact CD1-CE3 4.41Å; L399-W435 HydrophobicContact CD2-CD2 4.49Å; L399-W435 HydrophobicContact CD2-CE3 4.17Å; L399-L583 HydrophobicContact CB-CD2 3.73Å; L399-L583 HydrophobicContact CD1-CB 3.75Å; L399-L583 HydrophobicContact CD1-CD1 3.48Å; L399-L583 VanDerWaalsContact CD1-CD1 3.48Å; L399-L583 HydrophobicContact CD1-CD2 3.58Å; L399-L583 HydrophobicContact CD1-CG 3.69Å; L399-L583 HydrophobicContact CG-CD2 4.23Å |
| 400 | R | 88.3 | Confident | 85.7 | Confident | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.7 | -51.2 | 176.9 | -70.7 | 178.9 | -156.8 | -159.5 | 7.2 | 112.1 | L395 S396 W397 G402 F403 L404 T497 D529 E533 | L395-R400 HydrophobicContact CB-CG 4.07Å; L395-R400 PolarHBondContact O-NE 3.43Å; L395-R400 PolarHBondContact O-NH2 3.29Å; L395-R400 VanDerWaalsContact O-NH2 3.07Å; S396-R400 WeakPolarHBondContact O-CG 3.48Å; S396-R400 PolarHBondContact O-N 3.45Å; W397-R400 HydrophobicContact CE3-CB 4.27Å; W397-R400 PolarHBondContact O-N 2.62Å; R400-G402 VanDerWaalsContact C-N 3.3Å; R400-G402 PolarHBondContact O-N 2.94Å; R400-F403 WeakPolarHBondContact O-CB 3.19Å; R400-F403 PolarHBondContact O-N 3.02Å; R400-L404 PolarHBondContact O-N 2.88Å; R400-T497 HydrophobicContact CB-CG2 3.54Å; R400-T497 HydrophobicContact CG-CG2 4.01Å; R400-D529 IonicContact CZ-OD2 2.8Å; R400-D529 IonicContact NH2-OD2 2.93Å; R400-D529 PolarHBondContact NH2-OD2 2.88Å; R400-E533 IonicContact CZ-OE1 2.87Å; R400-E533 IonicContact NE-OE1 3.42Å; R400-E533 IonicContact NH1-OE1 3.77Å; R400-E533 PolarHBondContact NH1-OE1 3.2Å; R400-E533 IonicContact NH2-OE1 2.7Å; R400-E533 PolarHBondContact NH2-OE1 3.36Å |
| 401 | I | 89.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.1 | -36.2 | 176.4 | -66.2 | 168.8 | 0 | 0 | 0 | 110.6 | W397 F403 L404 T405 P538 L567 I570 N571 | W397-I401 HydrophobicContact CE3-CD1 4.48Å; W397-I401 HydrophobicContact CE3-CG1 4.43Å; W397-I401 WeakPolarHBondContact O-CB 3.3Å; W397-I401 WeakPolarHBondContact O-CG1 3.47Å; W397-I401 PolarHBondContact O-N 3.43Å; I401-F403 VanDerWaalsContact C-N 3.3Å; I401-F403 PolarHBondContact O-N 3.18Å; I401-L404 PolarHBondContact O-N 3.13Å; I401-L404 VanDerWaalsContact O-N 3.13Å; I401-T405 WeakPolarHBondContact O-CB 3.33Å; I401-T405 PolarHBondContact O-N 2.83Å; I401-T405 PolarHBondContact O-OG1 3.45Å; I401-P538 HydrophobicContact CD1-CB 3.78Å; I401-P538 HydrophobicContact CD1-CG 4.04Å; I401-L567 HydrophobicContact CG2-CB 4.29Å; I401-L567 HydrophobicContact CG2-CD2 4.42Å; I401-L567 WeakPolarHBondContact CG2-O 3.34Å; I401-I570 HydrophobicContact CD1-CG1 4.29Å; I401-N571 HydrophobicContact CG2-CB 3.8Å |
| 402 | G | 87.4 | Confident | 87.3 | Confident | 7 Ų | 7 | 9.6 Ų | 9.6 | 7% | 0.072 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -57 | -39.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S398 L399 R400 G406 | S398-G402 PolarHBondContact O-N 3.44Å; L399-G402 CarbonylContact O-C 3.55Å; L399-G402 WeakPolarHBondContact O-CA 3.47Å; L399-G402 PolarHBondContact O-N 3.49Å; L399-G402 VanDerWaalsContact O-N 3.14Å; R400-G402 VanDerWaalsContact C-N 3.3Å; R400-G402 PolarHBondContact O-N 2.94Å; G402-G406 PolarHBondContact O-N 3.23Å |
| 403 | F | 91.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 9.8 Ų | 9.8 | 0% | 0.004 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -62.7 | -49.5 | 172 | -60.9 | -31.1 | 0 | 0 | 0 | 111.6 | L384 V387 L395 L399 R400 I401 T405 G406 L407 V431 W435 C437 | L384-F403 HydrophobicContact CD1-CB 4.43Å; L384-F403 HydrophobicContact CD1-CD2 3.65Å; L384-F403 HydrophobicContact CD1-CE2 4.08Å; L384-F403 HydrophobicContact CD1-CG 4.18Å; V387-F403 HydrophobicContact CG1-CE2 4.22Å; V387-F403 HydrophobicContact CG1-CZ 4.38Å; L395-F403 HydrophobicContact CD2-CE2 4.13Å; L395-F403 HydrophobicContact CD2-CZ 4.34Å; L399-F403 HydrophobicContact CD1-CD1 4.06Å; L399-F403 HydrophobicContact CD1-CE1 3.32Å; L399-F403 HydrophobicContact CD1-CE2 4.1Å; L399-F403 HydrophobicContact CD1-CZ 3.35Å; L399-F403 HydrophobicContact CD2-CZ 4.22Å; L399-F403 HydrophobicContact CG-CE1 4.12Å; L399-F403 HydrophobicContact CG-CE2 3.98Å; L399-F403 HydrophobicContact CG-CZ 3.64Å; L399-F403 WeakPolarHBondContact O-CG 3.23Å; L399-F403 PolarHBondContact O-N 3.06Å; R400-F403 WeakPolarHBondContact O-CB 3.19Å; R400-F403 PolarHBondContact O-N 3.02Å; I401-F403 VanDerWaalsContact C-N 3.3Å; I401-F403 PolarHBondContact O-N 3.18Å; F403-T405 PolarHBondContact O-N 2.98Å; F403-G406 PolarHBondContact O-N 3.11Å; F403-G406 VanDerWaalsContact O-N 3.16Å; F403-L407 WeakPolarHBondContact O-CG 3.49Å; F403-L407 PolarHBondContact O-N 3.47Å; F403-V431 HydrophobicContact CE1-CG1 4.13Å; F403-V431 HydrophobicContact CE1-CG2 4.5Å; F403-V431 HydrophobicContact CZ-CG1 4.35Å; F403-W435 HydrophobicContact CE1-CE3 4.2Å; F403-W435 WeakPolarHBondContact CE1-O 3.46Å; F403-W435 AromaticContact CZ-CE3 3.72Å; F403-W435 HydrophobicContact CZ-CE3 3.72Å; F403-W435 HydrophobicContact CZ-CZ3 4.17Å; F403-C437 HydrophobicContact CB-CB 3.84Å; F403-C437 HydrophobicContact CD1-CB 3.75Å; F403-C437 HydrophobicContact CG-CB 4.05Å |
| 404 | L | 95.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60.4 | -45.9 | -179.7 | -65.4 | 171.8 | 0 | 0 | 0 | 111.9 | R400 I401 G406 L407 A408 F490 I493 M494 T497 Y543 L567 | R400-L404 PolarHBondContact O-N 2.88Å; I401-L404 PolarHBondContact O-N 3.13Å; I401-L404 VanDerWaalsContact O-N 3.13Å; L404-G406 VanDerWaalsContact C-N 3.31Å; L404-G406 PolarHBondContact O-N 3.27Å; L404-L407 PolarHBondContact O-N 2.77Å; L404-A408 WeakPolarHBondContact O-CB 3.39Å; L404-A408 PolarHBondContact O-N 3.15Å; L404-F490 HydrophobicContact CB-CZ 4.05Å; L404-F490 HydrophobicContact CD2-CZ 4.23Å; L404-F490 WeakPolarHBondContact O-CE2 3.38Å; L404-F490 WeakPolarHBondContact O-CZ 3.15Å; L404-I493 HydrophobicContact CD2-CG2 3.98Å; L404-M494 HydrophobicContact CD1-CG 4.08Å; L404-M494 HydrophobicContact CD2-CG 3.92Å; L404-T497 HydrophobicContact CD1-CG2 3.92Å; L404-T497 HydrophobicContact CG-CG2 4.18Å; L404-Y543 HydrophobicContact CD1-CE2 3.99Å; L404-Y543 WeakPolarHBondContact CD1-OH 3.14Å; L404-L567 HydrophobicContact CB-CD1 3.85Å; L404-L567 HydrophobicContact CB-CD2 4.28Å; L404-L567 HydrophobicContact CD1-CD2 4.39Å |
| 405 | T | 93 | Very high | 90.6 | Very high | 23 Ų | 23 | 10.6 Ų | 10.6 | 14% | 0.141 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -60.9 | -42.1 | 175.4 | -57.3 | 0 | 0 | 0 | 0 | 110.9 | I401 F403 A408 N409 | I401-T405 WeakPolarHBondContact O-CB 3.33Å; I401-T405 PolarHBondContact O-N 2.83Å; I401-T405 PolarHBondContact O-OG1 3.45Å; F403-T405 PolarHBondContact O-N 2.98Å; T405-A408 PolarHBondContact O-N 3.06Å; T405-N409 PolarHBondContact O-N 3.47Å; T405-N409 PolarHBondContact O-ND2 2.67Å |
| 406 | G | 92 | Very high | 91.4 | Very high | 8 Ų | 8 | 16.6 Ų | 16.6 | 8% | 0.082 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.7 | -49 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N358 G402 F403 L404 A408 N409 G410 | N358-G406 WeakPolarHBondContact CB-O 3.25Å; N358-G406 VanDerWaalsContact CG-C 3.45Å; N358-G406 VanDerWaalsContact CG-CA 3.44Å; N358-G406 WeakPolarHBondContact ND2-CA 3.46Å; N358-G406 PolarHBondContact OD1-O 2.82Å; G402-G406 PolarHBondContact O-N 3.23Å; F403-G406 PolarHBondContact O-N 3.11Å; F403-G406 VanDerWaalsContact O-N 3.16Å; L404-G406 VanDerWaalsContact C-N 3.31Å; L404-G406 PolarHBondContact O-N 3.27Å; G406-A408 PolarHBondContact O-N 3.3Å; G406-N409 PolarHBondContact O-N 3.4Å; G406-G410 PolarHBondContact O-N 3.41Å |
| 407 | L | 95.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 177.2 | -69.7 | -179.1 | 0 | 0 | 0 | 112.1 | L384 F403 L404 N409 G410 L411 C429 C437 I439 F490 I493 | L384-L407 HydrophobicContact CD2-CD1 3.85Å; F403-L407 WeakPolarHBondContact O-CG 3.49Å; F403-L407 PolarHBondContact O-N 3.47Å; L404-L407 PolarHBondContact O-N 2.77Å; L407-N409 PolarHBondContact O-N 3.29Å; L407-G410 PolarHBondContact O-N 3.2Å; L407-L411 PolarHBondContact O-N 3.4Å; L407-C429 HydrophobicContact CD1-CB 4.23Å; L407-C429 HydrophobicContact CD2-CB 3.94Å; L407-C429 VanDerWaalsContact CD2-SG 3.53Å; L407-C437 HydrophobicContact CD2-CB 4.36Å; L407-C437 HydrophobicContact CG-CB 4.33Å; L407-I439 HydrophobicContact CD2-CD1 4.44Å; L407-I439 HydrophobicContact CD2-CG1 3.59Å; L407-F490 HydrophobicContact CB-CD2 4.47Å; L407-F490 HydrophobicContact CB-CE2 3.91Å; L407-I493 HydrophobicContact CD1-CG2 4.02Å |
| 408 | A | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L404 T405 G406 L411 A412 F490 L560 I563 I564 L567 | L404-A408 WeakPolarHBondContact O-CB 3.39Å; L404-A408 PolarHBondContact O-N 3.15Å; T405-A408 PolarHBondContact O-N 3.06Å; G406-A408 PolarHBondContact O-N 3.3Å; A408-L411 PolarHBondContact O-N 2.93Å; A408-A412 WeakPolarHBondContact O-CB 3.41Å; A408-A412 PolarHBondContact O-N 3.42Å; A408-F490 HydrophobicContact CB-CE2 3.93Å; A408-F490 HydrophobicContact CB-CZ 3.93Å; A408-L560 HydrophobicContact CB-CD2 4.17Å; A408-I563 HydrophobicContact CB-CG2 4.27Å; A408-I564 HydrophobicContact CB-CD1 4.29Å; A408-I564 HydrophobicContact CB-CG1 3.59Å; A408-L567 HydrophobicContact CB-CD1 4.48Å |
| 409 | N | 95.6 | Very high | 93.1 | Very high | 58 Ų | 58 | 32 Ų | 32 | 31% | 0.31 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.1 | -41.5 | 173.3 | -78.4 | -71.2 | 0 | 0 | 0 | 112.2 | T405 G406 L407 A412 Y413 | T405-N409 PolarHBondContact O-N 3.47Å; T405-N409 PolarHBondContact O-ND2 2.67Å; G406-N409 PolarHBondContact O-N 3.4Å; L407-N409 PolarHBondContact O-N 3.29Å; N409-A412 PolarHBondContact O-N 3.26Å; N409-Y413 PolarHBondContact O-N 3.46Å; N409-Y413 VanDerWaalsContact O-N 3.07Å |
| 410 | G | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.6 | -47.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G406 L407 A412 Y413 L414 | G406-G410 PolarHBondContact O-N 3.41Å; L407-G410 PolarHBondContact O-N 3.2Å; G410-A412 VanDerWaalsContact C-N 3.34Å; G410-A412 PolarHBondContact O-N 3.31Å; G410-Y413 WeakPolarHBondContact O-CB 3.3Å; G410-Y413 PolarHBondContact O-N 2.96Å; G410-L414 WeakPolarHBondContact O-CG 3.44Å; G410-L414 PolarHBondContact O-N 3.18Å; G410-L414 VanDerWaalsContact O-N 3.08Å |
| 411 | L | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.5 | -41.1 | 175.8 | -74 | 170.4 | 0 | 0 | 0 | 111.7 | L407 A408 Y413 L414 H415 H421 L424 I439 D486 F490 L560 | L407-L411 PolarHBondContact O-N 3.4Å; A408-L411 PolarHBondContact O-N 2.93Å; L411-Y413 PolarHBondContact O-N 3.42Å; L411-L414 PolarHBondContact O-N 2.67Å; L411-L414 VanDerWaalsContact O-N 3.08Å; L411-H415 PolarHBondContact O-N 3.28Å; L411-H421 HydrophobicContact CD2-CB 4.37Å; L411-L424 HydrophobicContact CD1-CD2 3.61Å; L411-L424 HydrophobicContact CD2-CD1 4.32Å; L411-L424 HydrophobicContact CD2-CD2 4.07Å; L411-L424 HydrophobicContact CG-CD2 4.36Å; L411-I439 HydrophobicContact CB-CD1 4.36Å; L411-I439 HydrophobicContact CD2-CD1 3.81Å; L411-I439 HydrophobicContact CG-CD1 3.61Å; L411-D486 HydrophobicContact CD2-CB 4.15Å; L411-F490 HydrophobicContact CD1-CB 4.47Å; L411-F490 HydrophobicContact CD1-CD2 3.91Å; L411-L560 HydrophobicContact CB-CD1 3.58Å; L411-L560 HydrophobicContact CB-CD2 3.93Å; L411-L560 HydrophobicContact CB-CG 4.44Å; L411-L560 HydrophobicContact CD1-CD2 4.12Å |
| 412 | A | 96.7 | Very high | 93.9 | Very high | 23 Ų | 23 | 33.2 Ų | 33.2 | 19% | 0.19 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.6 | -39.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | A408 N409 G410 N416 L560 I564 | A408-A412 WeakPolarHBondContact O-CB 3.41Å; A408-A412 PolarHBondContact O-N 3.42Å; N409-A412 PolarHBondContact O-N 3.26Å; G410-A412 VanDerWaalsContact C-N 3.34Å; G410-A412 PolarHBondContact O-N 3.31Å; A412-N416 WeakPolarHBondContact O-CB 3.42Å; A412-N416 PolarHBondContact O-N 3.13Å; A412-L560 HydrophobicContact CB-CB 3.95Å; A412-L560 HydrophobicContact CB-CD1 4.15Å; A412-I564 HydrophobicContact CB-CD1 4.34Å |
| 413 | Y | 96.2 | Very high | 94.1 | Very high | 54 Ų | 54 | 34.6 Ų | 34.6 | 21% | 0.212 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.6 | -46.6 | 172.3 | -170.8 | -87.4 | 0 | 0 | 0 | 111.9 | M354 H356 L359 N409 G410 L411 N416 Y417 | M354-Y413 HydrophobicContact CB-CE1 4.18Å; M354-Y413 HydrophobicContact CE-CD1 3.84Å; M354-Y413 HydrophobicContact CE-CE1 3.63Å; M354-Y413 HydrophobicContact CG-CE1 4.48Å; H356-Y413 HydrophobicContact CB-CD1 4.22Å; H356-Y413 HydrophobicContact CB-CD2 4.39Å; H356-Y413 HydrophobicContact CB-CE1 4.38Å; H356-Y413 HydrophobicContact CB-CG 4.2Å; H356-Y413 AromaticContact CD2-CD2 3.68Å; H356-Y413 AromaticContact CD2-CG 3.92Å; L359-Y413 HydrophobicContact CD1-CD1 3.53Å; L359-Y413 HydrophobicContact CD1-CE1 4.08Å; L359-Y413 HydrophobicContact CD1-CG 4.37Å; N409-Y413 PolarHBondContact O-N 3.46Å; N409-Y413 VanDerWaalsContact O-N 3.07Å; G410-Y413 WeakPolarHBondContact O-CB 3.3Å; G410-Y413 PolarHBondContact O-N 2.96Å; L411-Y413 PolarHBondContact O-N 3.42Å; Y413-N416 PolarHBondContact O-N 3.45Å; Y413-Y417 HydrophobicContact CD1-CD2 4.16Å; Y413-Y417 HydrophobicContact CD1-CE2 4.24Å; Y413-Y417 AromaticContact CE1-CD2 3.89Å; Y413-Y417 HydrophobicContact CE1-CD2 3.89Å; Y413-Y417 AromaticContact CE1-CE2 3.63Å; Y413-Y417 HydrophobicContact CE1-CE2 3.63Å; Y413-Y417 AromaticContact CE2-CE2 3.98Å; Y413-Y417 HydrophobicContact CE2-CE2 3.98Å; Y413-Y417 AromaticContact CZ-CE2 3.5Å; Y413-Y417 VanDerWaalsContact CZ-CE2 3.5Å; Y413-Y417 WeakPolarHBondContact O-CD2 3.34Å; Y413-Y417 PolarHBondContact O-N 2.69Å |
| 414 | L | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.9 | -47.3 | 177.5 | -66.4 | -179.1 | 0 | 0 | 0 | 112.3 | M354 L359 G410 L411 N416 Y417 H418 I419 I439 Y442 | M354-L414 HydrophobicContact CE-CD2 3.55Å; L359-L414 HydrophobicContact CD1-CD2 3.61Å; L359-L414 HydrophobicContact CD1-CG 4.14Å; L359-L414 HydrophobicContact CD2-CD1 4Å; L359-L414 HydrophobicContact CD2-CD2 3.98Å; L359-L414 HydrophobicContact CD2-CG 3.87Å; L359-L414 HydrophobicContact CG-CD2 4.48Å; G410-L414 WeakPolarHBondContact O-CG 3.44Å; G410-L414 PolarHBondContact O-N 3.18Å; G410-L414 VanDerWaalsContact O-N 3.08Å; L411-L414 PolarHBondContact O-N 2.67Å; L411-L414 VanDerWaalsContact O-N 3.08Å; L414-N416 VanDerWaalsContact C-N 3.27Å; L414-N416 PolarHBondContact O-N 3.39Å; L414-Y417 CarbonylContact O-C 3.6Å; L414-Y417 WeakPolarHBondContact O-CA 3.3Å; L414-Y417 PolarHBondContact O-N 3.11Å; L414-H418 PolarHBondContact O-N 2.82Å; L414-I419 CarbonylContact C-O 3.59Å; L414-I419 HydrophobicContact CB-CB 4.36Å; L414-I419 HydrophobicContact CD2-CG2 4.46Å; L414-I419 PolarHBondContact O-N 3.38Å; L414-I439 HydrophobicContact CD1-CD1 4.47Å; L414-I439 HydrophobicContact CD1-CG2 4.42Å; L414-Y442 HydrophobicContact CD1-CG 4.14Å; L414-Y442 HydrophobicContact CD2-CD2 3.53Å; L414-Y442 HydrophobicContact CD2-CE2 4Å; L414-Y442 HydrophobicContact CD2-CG 3.88Å |
| 415 | H | 95.2 | Very high | 94.2 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 14% | 0.144 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.2 | -34.3 | -179.1 | -69.6 | -176.2 | 0 | 0 | 0 | 112 | L411 Y417 H418 I419 P483 D486 L560 | L411-H415 PolarHBondContact O-N 3.28Å; H415-Y417 PolarHBondContact O-N 2.85Å; H415-H418 WeakPolarHBondContact O-CA 3.27Å; H415-H418 PolarHBondContact O-N 3.39Å; H415-I419 PolarHBondContact CD2-O 3.06Å; H415-P483 PolarHBondContact CE1-O 2.88Å; H415-D486 IonicContact CD2-OD2 3.18Å; H415-D486 IonicContact CE1-OD2 2.73Å; H415-D486 IonicContact NE2-OD2 2.68Å; H415-D486 PolarHBondContact NE2-OD2 3.24Å; H415-L560 VanDerWaalsContact ND1-CD1 3.27Å; H415-L560 WeakPolarHBondContact ND1-CD1 3.46Å |
| 416 | N | 94.2 | Very high | 94.3 | Very high | 127 Ų | 127 | 33.8 Ų | 33.8 | 68% | 0.679 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -66.8 | -22.2 | 173.6 | -170.9 | 61.8 | 0 | 0 | 0 | 113.3 | A412 Y413 L414 H418 | A412-N416 WeakPolarHBondContact O-CB 3.42Å; A412-N416 PolarHBondContact O-N 3.13Å; Y413-N416 PolarHBondContact O-N 3.45Å; L414-N416 VanDerWaalsContact C-N 3.27Å; L414-N416 PolarHBondContact O-N 3.39Å; N416-H418 VanDerWaalsContact C-N 3.33Å |
| 417 | Y | 91.5 | Very high | 94.3 | Very high | 123 Ų | 123 | 36 Ų | 36 | 48% | 0.482 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 13.4 | 169.8 | -80.7 | -94 | 0 | 0 | 0 | 112.9 | M354 Y413 L414 H415 I419 | M354-Y417 HydrophobicContact CE-CD2 4.12Å; M354-Y417 HydrophobicContact CE-CG 4.08Å; Y413-Y417 HydrophobicContact CD1-CD2 4.16Å; Y413-Y417 HydrophobicContact CD1-CE2 4.24Å; Y413-Y417 AromaticContact CE1-CD2 3.89Å; Y413-Y417 HydrophobicContact CE1-CD2 3.89Å; Y413-Y417 AromaticContact CE1-CE2 3.63Å; Y413-Y417 HydrophobicContact CE1-CE2 3.63Å; Y413-Y417 AromaticContact CE2-CE2 3.98Å; Y413-Y417 HydrophobicContact CE2-CE2 3.98Å; Y413-Y417 AromaticContact CZ-CE2 3.5Å; Y413-Y417 VanDerWaalsContact CZ-CE2 3.5Å; Y413-Y417 WeakPolarHBondContact O-CD2 3.34Å; Y413-Y417 PolarHBondContact O-N 2.69Å; L414-Y417 CarbonylContact O-C 3.6Å; L414-Y417 WeakPolarHBondContact O-CA 3.3Å; L414-Y417 PolarHBondContact O-N 3.11Å; H415-Y417 PolarHBondContact O-N 2.85Å; Y417-I419 PolarHBondContact O-N 3.38Å |
| 418 | H | 91.3 | Very high | 94.1 | Very high | 181 Ų | 181 | 36.7 Ų | 36.7 | 84% | 0.838 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 25.8 | -176.3 | -53.3 | -63.5 | 0 | 0 | 0 | 114.3 | L414 H415 N416 | L414-H418 PolarHBondContact O-N 2.82Å; H415-H418 WeakPolarHBondContact O-CA 3.27Å; H415-H418 PolarHBondContact O-N 3.39Å; N416-H418 VanDerWaalsContact C-N 3.33Å |
| 419 | I | 92.4 | Very high | 94 | Very high | 32 Ų | 32 | 36.7 Ų | 36.7 | 16% | 0.164 | 18% | 0.183 | C | C | . | . | trans | -99.9 | 114.4 | 175.2 | -63.8 | 168.3 | 0 | 0 | 0 | 108 | M354 L414 H415 Y417 | M354-I419 HydrophobicContact CE-CD1 3.94Å; M354-I419 HydrophobicContact SD-CD1 3.74Å; L414-I419 CarbonylContact C-O 3.59Å; L414-I419 HydrophobicContact CB-CB 4.36Å; L414-I419 HydrophobicContact CD2-CG2 4.46Å; L414-I419 PolarHBondContact O-N 3.38Å; H415-I419 PolarHBondContact CD2-O 3.06Å; Y417-I419 PolarHBondContact O-N 3.38Å | ||
| 420 | V | 93.6 | Very high | 93.9 | Very high | 23 Ų | 23 | 35.1 Ų | 35.1 | 14% | 0.139 | 18% | 0.175 | C | C | . | . | trans | -94.1 | 126.7 | 169.1 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | F481 P483 D486 | V420-F481 HydrophobicContact CB-CB 4.19Å; V420-F481 HydrophobicContact CG1-CB 3.85Å; V420-P483 HydrophobicContact CG2-CG 4.16Å; V420-D486 WeakPolarHBondContact CG1-OD2 3.43Å | ||
| 421 | H | 93.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.009 | 18% | 0.175 | C | C | . | . | trans | -65.8 | -45 | -176.1 | -172.4 | -73.2 | 0 | 0 | 0 | 110.8 | L411 R423 L424 I439 T440 K455 D486 | L411-H421 HydrophobicContact CD2-CB 4.37Å; H421-R423 VanDerWaalsContact CE1-C 3.46Å; H421-R423 PolarHBondContact CE1-O 3.08Å; H421-R423 VanDerWaalsContact CE1-O 3.31Å; H421-R423 PolarHBondContact ND1-N 3.35Å; H421-R423 PolarHBondContact O-N 3.18Å; H421-L424 HydrophobicContact CB-CB 4.5Å; H421-L424 WeakPolarHBondContact ND1-CA 3.49Å; H421-L424 PolarHBondContact ND1-N 3.39Å; H421-I439 WeakPolarHBondContact CD2-CG2 3.48Å; H421-T440 PolarHBondContact NE2-O 3.26Å; H421-K455 VanDerWaalsContact O-CE 3.23Å; H421-K455 WeakPolarHBondContact O-CE 3.39Å; H421-K455 PolarHBondContact O-NZ 2.99Å; H421-D486 WeakPolarHBondContact CB-OD1 3.3Å; H421-D486 PolarHBondContact N-OD1 2.78Å; H421-D486 PolarHBondContact N-OD2 3.14Å | ||
| 422 | G | 90.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 68.3 | -13.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | D486 | G422-D486 PolarHBondContact N-OD1 2.87Š|
| 423 | R | 91.9 | Very high | 92.4 | Very high | 36 Ų | 36 | 38.6 Ų | 38.6 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -128 | 29.1 | 177.4 | -64.9 | -177.9 | 30.2 | 148 | -3.8 | 112.5 | H421 N425 N428 K455 T458 F459 | H421-R423 VanDerWaalsContact CE1-C 3.46Å; H421-R423 PolarHBondContact CE1-O 3.08Å; H421-R423 VanDerWaalsContact CE1-O 3.31Å; H421-R423 PolarHBondContact ND1-N 3.35Å; H421-R423 PolarHBondContact O-N 3.18Å; R423-N425 PolarHBondContact O-N 2.87Å; R423-N428 PolarHBondContact O-ND2 3.07Å; R423-K455 HydrophobicContact CG-CG 4.27Å; R423-T458 PolarHBondContact NH1-OG1 3.25Å; R423-F459 VanDerWaalsContact C-CZ 3.49Å; R423-F459 HydrophobicContact CB-CD1 4.42Å; R423-F459 HydrophobicContact CB-CD2 3.66Å; R423-F459 HydrophobicContact CB-CE2 3.85Å; R423-F459 HydrophobicContact CB-CG 3.98Å; R423-F459 HydrophobicContact CB-CZ 4.31Å; R423-F459 HydrophobicContact CG-CB 3.81Å; R423-F459 HydrophobicContact CG-CD1 4.37Å; R423-F459 HydrophobicContact CG-CD2 3.86Å; R423-F459 HydrophobicContact CG-CG 3.78Å; R423-F459 WeakPolarHBondContact O-CE2 3.44Å; R423-F459 WeakPolarHBondContact O-CZ 3.33Å |
| 424 | L | 94.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | trans | -69.6 | 125.4 | -173 | -175.1 | 73.5 | 0 | 0 | 0 | 109.2 | L411 H421 I439 S489 F490 I493 | L411-L424 HydrophobicContact CD1-CD2 3.61Å; L411-L424 HydrophobicContact CD2-CD1 4.32Å; L411-L424 HydrophobicContact CD2-CD2 4.07Å; L411-L424 HydrophobicContact CG-CD2 4.36Å; H421-L424 HydrophobicContact CB-CB 4.5Å; H421-L424 WeakPolarHBondContact ND1-CA 3.49Å; H421-L424 PolarHBondContact ND1-N 3.39Å; L424-I439 HydrophobicContact CD1-CG2 4.25Å; L424-S489 VanDerWaalsContact O-CB 3.3Å; L424-S489 WeakPolarHBondContact O-CB 3.4Å; L424-F490 HydrophobicContact CD2-CB 4.4Å; L424-I493 HydrophobicContact CD1-CD1 4.39Å; L424-I493 HydrophobicContact CD2-CD1 4.02Å; L424-I493 HydrophobicContact CG-CD1 3.83Å | ||
| 425 | N | 94.4 | Very high | 91.3 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.032 | 20% | 0.199 | C | C | . | . | trans | -151.1 | 171.2 | 167.8 | 64.9 | 13.7 | 0 | 0 | 0 | 108.1 | R423 S427 N428 C429 F459 N465 Y468 | R423-N425 PolarHBondContact O-N 2.87Å; N425-S427 PolarHBondContact O-N 3.34Å; N425-S427 WeakPolarHBondContact OD1-CA 3.41Å; N425-S427 WeakPolarHBondContact OD1-CB 3.44Å; N425-S427 PolarHBondContact OD1-N 3.08Å; N425-S427 VanDerWaalsContact OD1-N 3.11Å; N425-N428 PolarHBondContact O-N 3.3Å; N425-N428 WeakPolarHBondContact OD1-CB 3.49Å; N425-N428 PolarHBondContact OD1-N 3.15Å; N425-N428 PolarHBondContact OD1-ND2 2.85Å; N425-C429 PolarHBondContact O-N 2.96Å; N425-C429 PolarHBondContact O-SG 3.33Å; N425-C429 VanDerWaalsContact O-SG 3.38Å; N425-F459 HydrophobicContact CB-CE2 4.43Å; N425-F459 HydrophobicContact CB-CZ 4.04Å; N425-F459 WeakPolarHBondContact ND2-CE2 3Å; N425-N465 PolarHBondContact ND2-OD1 3.39Å; N425-Y468 HydrophobicContact CB-CD1 3.7Å; N425-Y468 HydrophobicContact CB-CD2 3.86Å; N425-Y468 HydrophobicContact CB-CE1 3.86Å; N425-Y468 HydrophobicContact CB-CE2 4.01Å; N425-Y468 HydrophobicContact CB-CG 3.7Å | ||
| 426 | S | 94 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -13.9 | 179 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | L384 C385 C429 Y468 E496 | L384-S426 WeakPolarHBondContact CB-O 3.42Å; L384-S426 PolarHBondContact N-O 2.92Å; L384-S426 VanDerWaalsContact N-O 3.11Å; C385-S426 WeakPolarHBondContact CB-OG 3.37Å; C385-S426 PolarHBondContact N-O 3.3Å; S426-C429 VanDerWaalsContact O-O 3.09Å; S426-Y468 PolarHBondContact OG-OH 3.46Å; S426-Y468 VanDerWaalsContact OG-OH 3.09Å; S426-E496 WeakPolarHBondContact CB-OE2 3.36Å; S426-E496 PolarHBondContact OG-OE1 2.89Å; S426-E496 PolarHBondContact OG-OE2 3.4Å |
| 427 | S | 91.6 | Very high | 90.8 | Very high | 55 Ų | 55 | 32.8 Ų | 32.8 | 39% | 0.385 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -29.7 | 171.4 | -63.2 | 0 | 0 | 0 | 0 | 112.6 | C385 N425 C429 | C385-S427 PolarHBondContact SG-OG 3.24Å; N425-S427 PolarHBondContact O-N 3.34Å; N425-S427 WeakPolarHBondContact OD1-CA 3.41Å; N425-S427 WeakPolarHBondContact OD1-CB 3.44Å; N425-S427 PolarHBondContact OD1-N 3.08Å; N425-S427 VanDerWaalsContact OD1-N 3.11Å; S427-C429 VanDerWaalsContact C-N 3.25Å |
| 428 | N | 92.9 | Very high | 90.9 | Very high | 16 Ų | 16 | 28.1 Ų | 28.1 | 9% | 0.086 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -89.1 | 11 | 173.3 | -65 | -24.8 | 0 | 0 | 0 | 112.4 | R423 N425 T440 | R423-N428 PolarHBondContact O-ND2 3.07Å; N425-N428 PolarHBondContact O-N 3.3Å; N425-N428 WeakPolarHBondContact OD1-CB 3.49Å; N425-N428 PolarHBondContact OD1-N 3.15Å; N425-N428 PolarHBondContact OD1-ND2 2.85Å; N428-T440 HydrophobicContact CB-CG2 4.5Å; N428-T440 WeakPolarHBondContact O-CG2 3.35Å; N428-T440 PolarHBondContact O-N 3.3Å |
| 429 | C | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 130.4 | 166.5 | -58.9 | 0 | 0 | 0 | 0 | 108.2 | S383 L384 L407 N425 S426 S427 K438 | S383-C429 CarbonylContact C-O 3.53Å; S383-C429 WeakPolarHBondContact CA-O 3.47Å; L384-C429 HydrophobicContact CB-CB 3.81Å; L384-C429 HydrophobicContact CD2-CB 4.17Å; L384-C429 PolarHBondContact N-O 3.31Å; L407-C429 HydrophobicContact CD1-CB 4.23Å; L407-C429 HydrophobicContact CD2-CB 3.94Å; L407-C429 VanDerWaalsContact CD2-SG 3.53Å; N425-C429 PolarHBondContact O-N 2.96Å; N425-C429 PolarHBondContact O-SG 3.33Å; N425-C429 VanDerWaalsContact O-SG 3.38Å; S426-C429 VanDerWaalsContact O-O 3.09Å; S427-C429 VanDerWaalsContact C-N 3.25Å; C429-K438 CarbonylContact C-O 3.53Å; C429-K438 VanDerWaalsContact CA-O 3.32Å; C429-K438 WeakPolarHBondContact CA-O 3.39Å |
| 430 | V | 92.6 | Very high | 91.2 | Very high | 24 Ų | 24 | 19 Ų | 19 | 15% | 0.145 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 153.2 | -178.9 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | V360 C379 G382 C437 K438 T440 | V360-V430 HydrophobicContact CG2-CG2 3.32Å; C379-V430 HydrophobicContact CB-CB 3.86Å; C379-V430 HydrophobicContact CB-CG2 3.76Å; G382-V430 CarbonylContact O-C 3.56Å; G382-V430 VanDerWaalsContact O-CA 3.28Å; G382-V430 WeakPolarHBondContact O-CA 3.4Å; V430-C437 CarbonylContact O-C 3.56Å; V430-C437 WeakPolarHBondContact O-CA 3.45Å; V430-K438 HydrophobicContact CG2-CB 4.24Å; V430-K438 PolarHBondContact N-O 2.83Å; V430-K438 PolarHBondContact O-N 3.37Å; V430-T440 HydrophobicContact CG1-CG2 4.31Å |
| 431 | V | 90.3 | Very high | 91 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125 | -175.2 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | C379 R381 G382 L384 V387 F403 W435 T436 C437 | C379-V431 CarbonylContact C-O 3.5Å; C379-V431 WeakPolarHBondContact CB-O 3.46Å; R381-V431 HydrophobicContact CB-CB 3.89Å; R381-V431 HydrophobicContact CB-CG1 4.01Å; R381-V431 WeakPolarHBondContact CB-O 3.46Å; R381-V431 HydrophobicContact CG-CB 4.49Å; R381-V431 HydrophobicContact CG-CG1 4.1Å; R381-V431 PolarHBondContact N-O 2.75Å; G382-V431 PolarHBondContact O-N 3.47Å; L384-V431 HydrophobicContact CD1-CG2 4.17Å; V387-V431 HydrophobicContact CG2-CB 4.23Å; V387-V431 HydrophobicContact CG2-CG2 4.13Å; F403-V431 HydrophobicContact CE1-CG1 4.13Å; F403-V431 HydrophobicContact CE1-CG2 4.5Å; F403-V431 HydrophobicContact CZ-CG1 4.35Å; V431-W435 HydrophobicContact CG1-CE3 3.89Å; V431-W435 HydrophobicContact CG1-CZ3 4.41Å; V431-T436 WeakPolarHBondContact CA-O 3.42Å; V431-C437 HydrophobicContact CG2-CB 4.49Å |
| 432 | S | 87 | Confident | 90.9 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | trans | -73.6 | 170.8 | 177.5 | 66.4 | 0 | 0 | 0 | 0 | 112.7 | R381 T434 W435 T436 | R381-S432 WeakPolarHBondContact CG-O 3.47Å; S432-T434 PolarHBondContact O-N 2.97Å; S432-T434 PolarHBondContact OG-OG1 2.8Å; S432-W435 PolarHBondContact O-N 2.88Å; S432-T436 PolarHBondContact N-O 3.27Å; S432-T436 WeakPolarHBondContact OG-CB 3.41Å; S432-T436 PolarHBondContact OG-N 2.86Å; S432-T436 PolarHBondContact OG-O 2.93Å | ||
| 433 | D | 82.4 | Confident | 90.6 | Very high | 91 Ų | 91 | 21.5 Ų | 21.5 | 49% | 0.487 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -35.7 | 172.7 | 62.8 | -25 | 0 | 0 | 0 | 113.5 | D380 R381 W435 | D380-D433 WeakPolarHBondContact OD1-CA 3.45Å; D380-D433 PolarHBondContact OD1-N 3.31Å; R381-D433 PolarHBondContact NH2-O 3.31Å; D433-W435 VanDerWaalsContact C-N 3.28Å; D433-W435 PolarHBondContact O-N 3.4Å |
| 434 | T | 82.7 | Confident | 90.2 | Very high | 59 Ų | 59 | 20.6 Ų | 20.6 | 36% | 0.362 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 12.2 | 177.6 | 42.6 | 0 | 0 | 0 | 0 | 113.4 | S432 T436 G580 | S432-T434 PolarHBondContact O-N 2.97Å; S432-T434 PolarHBondContact OG-OG1 2.8Å; T434-T436 PolarHBondContact O-N 3.33Å; T434-G580 CarbonylContact O-C 3.56Å; T434-G580 WeakPolarHBondContact O-CA 3.5Å; T434-G580 VanDerWaalsContact O-O 3.1Å |
| 435 | W | 84.6 | Confident | 89.7 | Confident | 3 Ų | 3 | 22.1 Ų | 22.1 | 1% | 0.011 | 13% | 0.13 | C | C | . | . | trans | 59 | 30.5 | 179.5 | -64.6 | 96.6 | 0 | 0 | 0 | 114.3 | V387 I393 L395 L399 F403 V431 S432 D433 L583 Y587 | V387-W435 HydrophobicContact CG1-CZ3 3.85Å; I393-W435 HydrophobicContact CG2-CH2 3.57Å; I393-W435 HydrophobicContact CG2-CZ3 4.1Å; L395-W435 HydrophobicContact CD2-CZ3 4.01Å; L399-W435 HydrophobicContact CD1-CB 4.18Å; L399-W435 HydrophobicContact CD1-CE3 4.41Å; L399-W435 HydrophobicContact CD2-CD2 4.49Å; L399-W435 HydrophobicContact CD2-CE3 4.17Å; F403-W435 HydrophobicContact CE1-CE3 4.2Å; F403-W435 WeakPolarHBondContact CE1-O 3.46Å; F403-W435 AromaticContact CZ-CE3 3.72Å; F403-W435 HydrophobicContact CZ-CE3 3.72Å; F403-W435 HydrophobicContact CZ-CZ3 4.17Å; V431-W435 HydrophobicContact CG1-CE3 3.89Å; V431-W435 HydrophobicContact CG1-CZ3 4.41Å; S432-W435 PolarHBondContact O-N 2.88Å; D433-W435 VanDerWaalsContact C-N 3.28Å; D433-W435 PolarHBondContact O-N 3.4Å; W435-L583 HydrophobicContact CB-CB 3.9Å; W435-Y587 AromaticContact CE2-CD1 3.86Å; W435-Y587 AromaticContact CE2-CD2 3.99Å; W435-Y587 AromaticContact CE2-CG 3.7Å; W435-Y587 AromaticContact CH2-CD2 3.9Å; W435-Y587 HydrophobicContact CH2-CD2 3.9Å; W435-Y587 AromaticContact CH2-CE2 3.71Å; W435-Y587 HydrophobicContact CH2-CE2 3.71Å; W435-Y587 HydrophobicContact CH2-CG 4.41Å; W435-Y587 AromaticContact CZ2-CD1 3.59Å; W435-Y587 HydrophobicContact CZ2-CD1 3.59Å; W435-Y587 AromaticContact CZ2-CD2 3.45Å; W435-Y587 HydrophobicContact CZ2-CD2 3.45Å; W435-Y587 VanDerWaalsContact CZ2-CD2 3.45Å; W435-Y587 AromaticContact CZ2-CE1 3.57Å; W435-Y587 HydrophobicContact CZ2-CE1 3.57Å; W435-Y587 AromaticContact CZ2-CE2 3.46Å; W435-Y587 HydrophobicContact CZ2-CE2 3.46Å; W435-Y587 VanDerWaalsContact CZ2-CE2 3.46Å; W435-Y587 AromaticContact CZ2-CG 3.53Å; W435-Y587 HydrophobicContact CZ2-CG 3.53Å; W435-Y587 AromaticContact CZ2-CZ 3.54Å; W435-Y587 AromaticContact NE1-CD1 3.71Å; W435-Y587 AromaticContact NE1-CG 3.76Å | ||
| 436 | T | 88.1 | Confident | 89 | Confident | 25 Ų | 25 | 24.8 Ų | 24.8 | 15% | 0.153 | 15% | 0.149 | C | C | . | . | trans | -93.3 | 124.4 | 171.4 | -57 | 0 | 0 | 0 | 0 | 109 | N357 V431 S432 T434 K438 | N357-T436 WeakPolarHBondContact O-CG2 3.5Å; V431-T436 WeakPolarHBondContact CA-O 3.42Å; S432-T436 PolarHBondContact N-O 3.27Å; S432-T436 WeakPolarHBondContact OG-CB 3.41Å; S432-T436 PolarHBondContact OG-N 2.86Å; S432-T436 PolarHBondContact OG-O 2.93Å; T434-T436 PolarHBondContact O-N 3.33Å; T436-K438 HydrophobicContact CG2-CG 4.37Å | ||
| 437 | C | 91.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 131.2 | 174.4 | -161.2 | 0 | 0 | 0 | 0 | 110.2 | N358 F403 L407 V430 V431 | N358-C437 PolarHBondContact ND2-O 2.93Å; F403-C437 HydrophobicContact CB-CB 3.84Å; F403-C437 HydrophobicContact CD1-CB 3.75Å; F403-C437 HydrophobicContact CG-CB 4.05Å; L407-C437 HydrophobicContact CD2-CB 4.36Å; L407-C437 HydrophobicContact CG-CB 4.33Å; V430-C437 CarbonylContact O-C 3.56Å; V430-C437 WeakPolarHBondContact O-CA 3.45Å; V431-C437 HydrophobicContact CG2-CB 4.49Å |
| 438 | K | 94.5 | Very high | 87.8 | Confident | 25 Ų | 25 | 25.1 Ų | 25.1 | 11% | 0.109 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.5 | -174.9 | -54.5 | -168.8 | 176.2 | -167 | 0 | 111.3 | N357 N358 V360 E377 C429 V430 T436 | N357-K438 WeakPolarHBondContact O-CE 3.33Å; N357-K438 WeakPolarHBondContact O-CG 3.44Å; N358-K438 CarbonylContact O-C 3.57Å; N358-K438 VanDerWaalsContact O-CA 3.3Å; N358-K438 WeakPolarHBondContact O-CA 3.45Å; V360-K438 HydrophobicContact CG2-CB 3.71Å; V360-K438 HydrophobicContact CG2-CD 4.37Å; E377-K438 IonicContact OE1-NZ 2.77Å; E377-K438 PolarHBondContact OE1-NZ 3.08Å; E377-K438 IonicContact OE2-NZ 3.19Å; E377-K438 PolarHBondContact OE2-NZ 3.15Å; C429-K438 CarbonylContact C-O 3.53Å; C429-K438 VanDerWaalsContact CA-O 3.32Å; C429-K438 WeakPolarHBondContact CA-O 3.39Å; V430-K438 HydrophobicContact CG2-CB 4.24Å; V430-K438 PolarHBondContact N-O 2.83Å; V430-K438 PolarHBondContact O-N 3.37Å; T436-K438 HydrophobicContact CG2-CG 4.37Å |
| 439 | I | 95.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 135.5 | 173.9 | -54.4 | 164 | 0 | 0 | 0 | 108.8 | N358 L359 V360 L407 L411 L414 H421 L424 Y442 | N358-I439 PolarHBondContact O-N 3.32Å; L359-I439 HydrophobicContact CD2-CB 3.84Å; L359-I439 HydrophobicContact CD2-CD1 4.02Å; L359-I439 HydrophobicContact CD2-CG1 4.36Å; V360-I439 PolarHBondContact N-O 3.12Å; L407-I439 HydrophobicContact CD2-CD1 4.44Å; L407-I439 HydrophobicContact CD2-CG1 3.59Å; L411-I439 HydrophobicContact CB-CD1 4.36Å; L411-I439 HydrophobicContact CD2-CD1 3.81Å; L411-I439 HydrophobicContact CG-CD1 3.61Å; L414-I439 HydrophobicContact CD1-CD1 4.47Å; L414-I439 HydrophobicContact CD1-CG2 4.42Å; H421-I439 WeakPolarHBondContact CD2-CG2 3.48Å; L424-I439 HydrophobicContact CD1-CG2 4.25Å; I439-Y442 HydrophobicContact CG2-CD1 4.4Å; I439-Y442 WeakPolarHBondContact O-CE1 3.17Å |
| 440 | T | 93.1 | Very high | 86.6 | Confident | 23 Ų | 23 | 30.4 Ų | 30.4 | 14% | 0.141 | 18% | 0.179 | C | C | . | . | trans | -117.7 | 177.7 | 175.2 | -165.5 | 0 | 0 | 0 | 0 | 110.7 | H421 N428 V430 Y442 | H421-T440 PolarHBondContact NE2-O 3.26Å; N428-T440 HydrophobicContact CB-CG2 4.5Å; N428-T440 WeakPolarHBondContact O-CG2 3.35Å; N428-T440 PolarHBondContact O-N 3.3Å; V430-T440 HydrophobicContact CG1-CG2 4.31Å; T440-Y442 VanDerWaalsContact C-N 3.35Å; T440-Y442 PolarHBondContact O-N 2.9Å | ||
| 441 | D | 88.8 | Confident | 86.1 | Confident | 54 Ų | 54 | 33.2 Ų | 33.2 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 58 | 36.4 | 175 | -74.6 | -20.3 | 0 | 0 | 0 | 115.7 | K331 | K331-D441 IonicContact NZ-OD1 2.66Å; K331-D441 PolarHBondContact NZ-OD1 2.73Å; K331-D441 IonicContact NZ-OD2 2.85Å; K331-D441 PolarHBondContact NZ-OD2 2.66Å |
| 442 | Y | 91.9 | Very high | 85.7 | Confident | 10 Ų | 10 | 36 Ų | 36 | 4% | 0.039 | 21% | 0.208 | C | C | . | . | trans | -108.1 | 155.5 | 178.8 | 63.7 | -95.6 | 0 | 0 | 0 | 113.4 | V351 M354 L359 V360 L414 I439 T440 L444 | V351-Y442 HydrophobicContact CG1-CD2 4.5Å; V351-Y442 HydrophobicContact CG1-CE2 4.06Å; M354-Y442 HydrophobicContact SD-CD2 4.44Å; M354-Y442 HydrophobicContact SD-CE2 4Å; L359-Y442 HydrophobicContact CB-CE1 3.83Å; L359-Y442 WeakPolarHBondContact CB-OH 3.47Å; L359-Y442 HydrophobicContact CD1-CE2 4.38Å; L359-Y442 HydrophobicContact CD2-CD1 4.28Å; L359-Y442 HydrophobicContact CD2-CE1 4.06Å; L359-Y442 HydrophobicContact CG-CE1 4.37Å; V360-Y442 PolarHBondContact O-OH 3.21Å; L414-Y442 HydrophobicContact CD1-CG 4.14Å; L414-Y442 HydrophobicContact CD2-CD2 3.53Å; L414-Y442 HydrophobicContact CD2-CE2 4Å; L414-Y442 HydrophobicContact CD2-CG 3.88Å; I439-Y442 HydrophobicContact CG2-CD1 4.4Å; I439-Y442 WeakPolarHBondContact O-CE1 3.17Å; T440-Y442 VanDerWaalsContact C-N 3.35Å; T440-Y442 PolarHBondContact O-N 2.9Å; Y442-L444 VanDerWaalsContact C-N 3.26Å; Y442-L444 PolarHBondContact O-N 3.24Å; Y442-L444 VanDerWaalsContact O-N 3.13Å | ||
| 443 | G | 84.3 | Confident | 85.6 | Confident | 16 Ų | 16 | 39.4 Ų | 39.4 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | S | Bend | trans | 74.3 | -1.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | V351 | V351-G443 WeakPolarHBondContact CG2-O 3.44Š|
| 444 | L | 84.2 | Confident | 85.8 | Confident | 16 Ų | 16 | 38.9 Ų | 38.9 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | trans | -109.7 | 20.5 | -178 | -60.6 | 176.4 | 0 | 0 | 0 | 112.8 | L348 V351 L374 Y442 S446 L447 I448 | L348-L444 HydrophobicContact CD2-CD2 3.69Å; L348-L444 HydrophobicContact CG-CD2 4.45Å; V351-L444 HydrophobicContact CB-CD2 3.94Å; V351-L444 HydrophobicContact CG1-CD2 4.13Å; V351-L444 HydrophobicContact CG1-CG 4.27Å; V351-L444 HydrophobicContact CG2-CD2 3.68Å; V351-L444 HydrophobicContact CG2-CG 4.24Å; L374-L444 HydrophobicContact CD1-CD1 3.58Å; L374-L444 HydrophobicContact CD2-CD1 4.08Å; L374-L444 HydrophobicContact CG-CD1 4.46Å; Y442-L444 VanDerWaalsContact C-N 3.26Å; Y442-L444 PolarHBondContact O-N 3.24Å; Y442-L444 VanDerWaalsContact O-N 3.13Å; L444-S446 PolarHBondContact O-N 3.44Å; L444-L447 HydrophobicContact CB-CD1 4.07Å; L444-L447 HydrophobicContact CD2-CD1 3.51Å; L444-L447 HydrophobicContact CG-CD1 4.35Å; L444-L447 WeakPolarHBondContact O-CB 3.47Å; L444-L447 PolarHBondContact O-N 3.13Å; L444-L447 VanDerWaalsContact O-N 3.12Å; L444-I448 HydrophobicContact CB-CD1 4.32Å; L444-I448 WeakPolarHBondContact O-CG1 3.45Å | ||
| 445 | D | 84.3 | Confident | 86 | Confident | 33 Ų | 33 | 36.2 Ų | 36.2 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | -167.9 | -60 | -33.5 | 0 | 0 | 0 | 113.5 | L447 I448 W449 K455 | D445-L447 PolarHBondContact O-N 3.01Å; D445-I448 PolarHBondContact O-N 3.21Å; D445-I448 VanDerWaalsContact O-N 3.07Å; D445-W449 HydrophobicContact CB-CE3 4.01Å; D445-W449 HydrophobicContact CB-CZ3 4.25Å; D445-W449 PolarHBondContact O-N 3.05Å; D445-W449 WeakPolarHBondContact OD1-CZ3 3.33Å; D445-K455 HydrophobicContact CB-CD 4.09Å; D445-K455 WeakPolarHBondContact OD1-CE 3.15Å; D445-K455 IonicContact OD1-NZ 2.65Å; D445-K455 PolarHBondContact OD1-NZ 3.32Å; D445-K455 IonicContact OD2-NZ 3.74Å; D445-K455 PolarHBondContact OD2-NZ 3.46Å |
| 446 | S | 79.1 | Confident | 86.1 | Confident | 63 Ų | 63 | 36.2 Ų | 36.2 | 44% | 0.441 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69 | -11.8 | -179.1 | 44.4 | 0 | 0 | 0 | 0 | 114.5 | Q347 L444 | Q347-S446 PolarHBondContact NE2-OG 3.13Å; Q347-S446 PolarHBondContact OE1-OG 3.43Å; L444-S446 PolarHBondContact O-N 3.44Å |
| 447 | L | 79.1 | Confident | 86 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -86.5 | -22.5 | 173.6 | -66.3 | 156.1 | 0 | 0 | 0 | 112 | M344 L348 L444 D445 | M344-L447 HydrophobicContact CB-CD2 3.49Å; M344-L447 VanDerWaalsContact CB-CD2 3.49Å; M344-L447 HydrophobicContact CG-CD2 3.54Å; M344-L447 HydrophobicContact SD-CD2 4.19Å; L348-L447 HydrophobicContact CD1-CD1 4.31Å; L348-L447 HydrophobicContact CD1-CD2 4.36Å; L348-L447 HydrophobicContact CD2-CD1 3.73Å; L348-L447 HydrophobicContact CG-CD1 3.64Å; L348-L447 HydrophobicContact CG-CD2 4.47Å; L444-L447 HydrophobicContact CB-CD1 4.07Å; L444-L447 HydrophobicContact CD2-CD1 3.51Å; L444-L447 HydrophobicContact CG-CD1 4.35Å; L444-L447 WeakPolarHBondContact O-CB 3.47Å; L444-L447 PolarHBondContact O-N 3.13Å; L444-L447 VanDerWaalsContact O-N 3.12Å; D445-L447 PolarHBondContact O-N 3.01Å |
| 448 | I | 81 | Confident | 85.8 | Confident | 53 Ų | 53 | 42 Ų | 42 | 27% | 0.272 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -108.9 | -36.4 | -170.5 | -55.2 | 176.4 | 0 | 0 | 0 | 110.8 | I333 L444 D445 | I333-I448 HydrophobicContact CD1-CD1 3.65Å; I333-I448 HydrophobicContact CD1-CG1 3.88Å; I333-I448 HydrophobicContact CG2-CG2 4.37Å; L444-I448 HydrophobicContact CB-CD1 4.32Å; L444-I448 WeakPolarHBondContact O-CG1 3.45Å; D445-I448 PolarHBondContact O-N 3.21Å; D445-I448 VanDerWaalsContact O-N 3.07Å |
| 449 | W | 83.9 | Confident | 85.5 | Confident | 33 Ų | 33 | 40.9 Ų | 40.9 | 13% | 0.125 | 22% | 0.222 | C | C | . | . | trans | -125.2 | 143.7 | -176 | -58.6 | -70.1 | 0 | 0 | 0 | 111.2 | D445 N451 E454 K455 T458 | D445-W449 HydrophobicContact CB-CE3 4.01Å; D445-W449 HydrophobicContact CB-CZ3 4.25Å; D445-W449 PolarHBondContact O-N 3.05Å; D445-W449 WeakPolarHBondContact OD1-CZ3 3.33Å; W449-N451 VanDerWaalsContact C-N 3.29Å; W449-N451 PolarHBondContact O-N 3.29Å; W449-E454 HydrophobicContact CB-CB 4.33Å; W449-K455 HydrophobicContact CB-CB 4.08Å; W449-K455 HydrophobicContact CD2-CB 3.56Å; W449-K455 HydrophobicContact CD2-CD 4.49Å; W449-K455 HydrophobicContact CD2-CG 3.85Å; W449-K455 HydrophobicContact CE3-CB 3.68Å; W449-K455 HydrophobicContact CE3-CD 3.76Å; W449-K455 HydrophobicContact CE3-CG 3.58Å; W449-K455 HydrophobicContact CG-CB 3.72Å; W449-K455 HydrophobicContact CH2-CG 4.26Å; W449-K455 HydrophobicContact CZ2-CG 4.49Å; W449-K455 HydrophobicContact CZ3-CB 4.41Å; W449-K455 HydrophobicContact CZ3-CD 3.85Å; W449-K455 HydrophobicContact CZ3-CG 3.8Å; W449-T458 PolarHBondContact NE1-OG1 2.99Å | ||
| 450 | S | 80 | Confident | 85.1 | Confident | 95 Ų | 95 | 43.4 Ų | 43.4 | 66% | 0.664 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -67.9 | -29.8 | 177.1 | 61.9 | 0 | 0 | 0 | 0 | 112.8 | E454 | S450-E454 VanDerWaalsContact CB-OE2 3.29Å; S450-E454 WeakPolarHBondContact CB-OE2 3.27Å; S450-E454 PolarHBondContact N-OE2 3.1Å; S450-E454 PolarHBondContact OG-OE2 3.27Å |
| 451 | N | 81.2 | Confident | 84.8 | Confident | 82 Ų | 82 | 47.4 Ų | 47.4 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -160.2 | 172.4 | -179.9 | 58.5 | 58.8 | 0 | 0 | 0 | 111.6 | W449 F453 E454 K455 | W449-N451 VanDerWaalsContact C-N 3.29Å; W449-N451 PolarHBondContact O-N 3.29Å; N451-F453 VanDerWaalsContact C-N 3.26Å; N451-F453 PolarHBondContact O-N 3.3Å; N451-F453 WeakPolarHBondContact OD1-CA 3.49Å; N451-F453 VanDerWaalsContact OD1-CB 3.3Å; N451-F453 WeakPolarHBondContact OD1-CB 3.45Å; N451-F453 PolarHBondContact OD1-N 3.46Å; N451-E454 PolarHBondContact O-N 3.08Å; N451-E454 PolarHBondContact OD1-N 3.43Å; N451-K455 PolarHBondContact O-N 3.09Å |
| 452 | N | 82.9 | Confident | 84.8 | Confident | 58 Ų | 58 | 48.7 Ų | 48.7 | 31% | 0.31 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.1 | -29.3 | 179.1 | -73.9 | -27.1 | 0 | 0 | 0 | 113.6 | H456 F481 | N452-H456 VanDerWaalsContact O-CB 3.3Å; N452-H456 WeakPolarHBondContact O-CB 3.49Å; N452-H456 PolarHBondContact O-N 3.39Å; N452-F481 HydrophobicContact CB-CD2 4.14Å; N452-F481 HydrophobicContact CB-CE2 4.2Å |
| 453 | F | 84.6 | Confident | 84.4 | Confident | 78 Ų | 78 | 53.2 Ų | 53.2 | 34% | 0.342 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.7 | -43.9 | 178 | 171.3 | -107.3 | 0 | 0 | 0 | 111.3 | N451 H456 K457 K477 | N451-F453 VanDerWaalsContact C-N 3.26Å; N451-F453 PolarHBondContact O-N 3.3Å; N451-F453 WeakPolarHBondContact OD1-CA 3.49Å; N451-F453 VanDerWaalsContact OD1-CB 3.3Å; N451-F453 WeakPolarHBondContact OD1-CB 3.45Å; N451-F453 PolarHBondContact OD1-N 3.46Å; F453-H456 PolarHBondContact O-N 3.23Å; F453-K457 VanDerWaalsContact O-CB 3.31Å; F453-K457 WeakPolarHBondContact O-CB 3.48Å; F453-K457 PolarHBondContact O-N 3.25Å; F453-K477 VanDerWaalsContact CD2-C 3.44Å; F453-K477 WeakPolarHBondContact CD2-O 3.38Å; F453-K477 HydrophobicContact CE2-CB 4.38Å; F453-K477 VanDerWaalsContact CE2-O 3.29Å; F453-K477 WeakPolarHBondContact CE2-O 3.44Å; F453-K477 WeakPolarHBondContact CG-O 3.38Å |
| 454 | E | 85.1 | Confident | 84.6 | Confident | 80 Ų | 80 | 57.4 Ų | 57.4 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 175.9 | -164.7 | -175.7 | -170.4 | 0 | 0 | 111.2 | W449 S450 N451 H456 K457 T458 | W449-E454 HydrophobicContact CB-CB 4.33Å; S450-E454 VanDerWaalsContact CB-OE2 3.29Å; S450-E454 WeakPolarHBondContact CB-OE2 3.27Å; S450-E454 PolarHBondContact N-OE2 3.1Å; S450-E454 PolarHBondContact OG-OE2 3.27Å; N451-E454 PolarHBondContact O-N 3.08Å; N451-E454 PolarHBondContact OD1-N 3.43Å; E454-H456 PolarHBondContact O-N 3.1Å; E454-K457 PolarHBondContact O-N 2.97Å; E454-T458 WeakPolarHBondContact O-CG2 3.36Å; E454-T458 PolarHBondContact O-N 3.25Å; E454-T458 VanDerWaalsContact O-N 3.08Å |
| 455 | K | 86.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 57 Ų | 57 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.9 | -51.1 | 171.6 | 175.6 | 177.4 | 171.5 | 178.5 | 0 | 111.6 | H421 R423 D445 W449 N451 T458 F481 | H421-K455 VanDerWaalsContact O-CE 3.23Å; H421-K455 WeakPolarHBondContact O-CE 3.39Å; H421-K455 PolarHBondContact O-NZ 2.99Å; R423-K455 HydrophobicContact CG-CG 4.27Å; D445-K455 HydrophobicContact CB-CD 4.09Å; D445-K455 WeakPolarHBondContact OD1-CE 3.15Å; D445-K455 IonicContact OD1-NZ 2.65Å; D445-K455 PolarHBondContact OD1-NZ 3.32Å; D445-K455 IonicContact OD2-NZ 3.74Å; D445-K455 PolarHBondContact OD2-NZ 3.46Å; W449-K455 HydrophobicContact CB-CB 4.08Å; W449-K455 HydrophobicContact CD2-CB 3.56Å; W449-K455 HydrophobicContact CD2-CD 4.49Å; W449-K455 HydrophobicContact CD2-CG 3.85Å; W449-K455 HydrophobicContact CE3-CB 3.68Å; W449-K455 HydrophobicContact CE3-CD 3.76Å; W449-K455 HydrophobicContact CE3-CG 3.58Å; W449-K455 HydrophobicContact CG-CB 3.72Å; W449-K455 HydrophobicContact CH2-CG 4.26Å; W449-K455 HydrophobicContact CZ2-CG 4.49Å; W449-K455 HydrophobicContact CZ3-CB 4.41Å; W449-K455 HydrophobicContact CZ3-CD 3.85Å; W449-K455 HydrophobicContact CZ3-CG 3.8Å; N451-K455 PolarHBondContact O-N 3.09Å; K455-T458 PolarHBondContact O-N 3.05Å; K455-T458 PolarHBondContact O-OG1 3.14Å; K455-F481 HydrophobicContact CD-CE2 4.09Å; K455-F481 HydrophobicContact CG-CE2 4.29Å |
| 456 | H | 86.9 | Confident | 85.3 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 1% | 0.014 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.1 | -47.2 | -180 | -172 | 52.6 | 0 | 0 | 0 | 111.9 | N452 F453 E454 T458 F459 L460 Y473 F481 | N452-H456 VanDerWaalsContact O-CB 3.3Å; N452-H456 WeakPolarHBondContact O-CB 3.49Å; N452-H456 PolarHBondContact O-N 3.39Å; F453-H456 PolarHBondContact O-N 3.23Å; E454-H456 PolarHBondContact O-N 3.1Å; H456-T458 VanDerWaalsContact C-N 3.34Å; H456-T458 PolarHBondContact O-N 3.03Å; H456-F459 WeakPolarHBondContact O-CA 3.33Å; H456-F459 WeakPolarHBondContact O-CB 3.49Å; H456-F459 PolarHBondContact O-N 3.39Å; H456-L460 PolarHBondContact O-N 2.86Å; H456-Y473 PolarHBondContact NE2-O 2.99Å; H456-F481 HydrophobicContact CB-CE1 4.48Å; H456-F481 HydrophobicContact CB-CE2 4.31Å; H456-F481 HydrophobicContact CB-CZ 3.62Å; H456-F481 AromaticContact CG-CZ 3.9Å; H456-F481 AromaticContact ND1-CE1 3.76Å; H456-F481 AromaticContact ND1-CZ 3.6Å |
| 457 | K | 86.8 | Confident | 86 | Confident | 101 Ų | 101 | 54.3 Ų | 54.3 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.5 | -45.2 | 179 | -174.1 | -178.2 | 175.9 | -172.3 | 0 | 111.9 | F453 E454 F459 L460 D461 | F453-K457 VanDerWaalsContact O-CB 3.31Å; F453-K457 WeakPolarHBondContact O-CB 3.48Å; F453-K457 PolarHBondContact O-N 3.25Å; E454-K457 PolarHBondContact O-N 2.97Å; K457-F459 PolarHBondContact O-N 3.17Å; K457-F459 VanDerWaalsContact O-N 3.1Å; K457-L460 PolarHBondContact O-N 2.87Å; K457-D461 WeakPolarHBondContact O-CB 3.47Å; K457-D461 PolarHBondContact O-N 3.03Å |
| 458 | T | 86.6 | Confident | 86.7 | Confident | 47 Ų | 47 | 54.2 Ų | 54.2 | 29% | 0.288 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.5 | -20.2 | 177.6 | 63.2 | 0 | 0 | 0 | 0 | 114.3 | R423 W449 E454 K455 H456 | R423-T458 PolarHBondContact NH1-OG1 3.25Å; W449-T458 PolarHBondContact NE1-OG1 2.99Å; E454-T458 WeakPolarHBondContact O-CG2 3.36Å; E454-T458 PolarHBondContact O-N 3.25Å; E454-T458 VanDerWaalsContact O-N 3.08Å; K455-T458 PolarHBondContact O-N 3.05Å; K455-T458 PolarHBondContact O-OG1 3.14Å; H456-T458 VanDerWaalsContact C-N 3.34Å; H456-T458 PolarHBondContact O-N 3.03Å |
| 459 | F | 88.8 | Confident | 87.2 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 1% | 0.013 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -89.7 | -43.9 | 175.5 | -164.5 | -119 | 0 | 0 | 0 | 111.4 | R423 N425 H456 K457 K462 N465 I469 | R423-F459 VanDerWaalsContact C-CZ 3.49Å; R423-F459 HydrophobicContact CB-CD1 4.42Å; R423-F459 HydrophobicContact CB-CD2 3.66Å; R423-F459 HydrophobicContact CB-CE2 3.85Å; R423-F459 HydrophobicContact CB-CG 3.98Å; R423-F459 HydrophobicContact CB-CZ 4.31Å; R423-F459 HydrophobicContact CG-CB 3.81Å; R423-F459 HydrophobicContact CG-CD1 4.37Å; R423-F459 HydrophobicContact CG-CD2 3.86Å; R423-F459 HydrophobicContact CG-CG 3.78Å; R423-F459 WeakPolarHBondContact O-CE2 3.44Å; R423-F459 WeakPolarHBondContact O-CZ 3.33Å; N425-F459 HydrophobicContact CB-CE2 4.43Å; N425-F459 HydrophobicContact CB-CZ 4.04Å; N425-F459 WeakPolarHBondContact ND2-CE2 3Å; H456-F459 WeakPolarHBondContact O-CA 3.33Å; H456-F459 WeakPolarHBondContact O-CB 3.49Å; H456-F459 PolarHBondContact O-N 3.39Å; K457-F459 PolarHBondContact O-N 3.17Å; K457-F459 VanDerWaalsContact O-N 3.1Å; F459-K462 PolarHBondContact O-N 3.01Å; F459-N465 HydrophobicContact CD1-CB 4.23Å; F459-N465 HydrophobicContact CD2-CB 4.2Å; F459-N465 WeakPolarHBondContact CD2-ND2 3.5Å; F459-N465 HydrophobicContact CE1-CB 4.02Å; F459-N465 HydrophobicContact CE2-CB 4Å; F459-N465 VanDerWaalsContact CE2-CG 3.45Å; F459-N465 WeakPolarHBondContact CE2-ND2 3.39Å; F459-N465 HydrophobicContact CG-CB 4.32Å; F459-N465 HydrophobicContact CZ-CB 3.9Å; F459-N465 WeakPolarHBondContact O-CB 3.43Å; F459-N465 PolarHBondContact O-ND2 3.09Å; F459-I469 HydrophobicContact CD1-CD1 3.78Å; F459-I469 HydrophobicContact CD1-CG1 3.73Å; F459-I469 HydrophobicContact CE1-CD1 4.23Å; F459-I469 HydrophobicContact CE1-CG1 3.75Å |
| 460 | L | 88.2 | Confident | 87.6 | Confident | 52 Ų | 52 | 50.3 Ų | 50.3 | 27% | 0.272 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.4 | -36.3 | 177.8 | -173.1 | 68 | 0 | 0 | 0 | 113.2 | H456 K457 K462 L466 I469 | H456-L460 PolarHBondContact O-N 2.86Å; K457-L460 PolarHBondContact O-N 2.87Å; L460-K462 PolarHBondContact O-N 2.58Å; L460-L466 HydrophobicContact CD1-CD1 3.9Å; L460-I469 HydrophobicContact CB-CD1 4.17Å; L460-I469 HydrophobicContact CD1-CD1 3.64Å |
| 461 | D | 86.9 | Confident | 88.1 | Confident | 107 Ų | 107 | 47.6 Ų | 47.6 | 57% | 0.572 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -12.4 | -179.3 | -75.8 | -12.3 | 0 | 0 | 0 | 113.2 | K457 | K457-D461 WeakPolarHBondContact O-CB 3.47Å; K457-D461 PolarHBondContact O-N 3.03Å |
| 462 | K | 87.2 | Confident | 88.3 | Confident | 82 Ų | 82 | 46.4 Ų | 46.4 | 36% | 0.357 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -101.1 | 111.9 | 175 | -60.9 | -171.6 | 176.6 | -165.6 | 0 | 110.2 | F459 L460 E464 N465 | F459-K462 PolarHBondContact O-N 3.01Å; L460-K462 PolarHBondContact O-N 2.58Å; K462-E464 HydrophobicContact CB-CG 4.12Å; K462-E464 PolarHBondContact O-N 3.18Å; K462-E464 VanDerWaalsContact O-N 3.13Å; K462-N465 WeakPolarHBondContact CB-ND2 3.46Å; K462-N465 WeakPolarHBondContact O-CB 3.39Å; K462-N465 PolarHBondContact O-N 3.09Å |
| 463 | P | 85.1 | Confident | 88.6 | Confident | 104 Ų | 104 | 44.5 Ų | 44.5 | 68% | 0.675 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -55.4 | -35.2 | -177 | -27.3 | 34.8 | 0 | 0 | 0 | 114.1 | N465 L466 | P463-N465 PolarHBondContact O-N 2.93Å; P463-N465 VanDerWaalsContact O-N 3.15Å; P463-L466 VanDerWaalsContact O-CB 3.3Å; P463-L466 WeakPolarHBondContact O-CB 2.97Å; P463-L466 PolarHBondContact O-N 2.54Å; P463-L466 VanDerWaalsContact O-N 3.12Å |
| 464 | E | 88.2 | Confident | 88.7 | Confident | 104 Ų | 104 | 41.4 Ų | 41.4 | 49% | 0.486 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -59.9 | -20.8 | 176.7 | 66.3 | -152.3 | -154.4 | 0 | 0 | 114.3 | K462 | K462-E464 HydrophobicContact CB-CG 4.12Å; K462-E464 PolarHBondContact O-N 3.18Å; K462-E464 VanDerWaalsContact O-N 3.13Å |
| 465 | N | 91.1 | Very high | 88.4 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -89.1 | -16.8 | 178.6 | -67.8 | -27 | 0 | 0 | 0 | 113.5 | N425 F459 K462 P463 P467 Y468 | N425-N465 PolarHBondContact ND2-OD1 3.39Å; F459-N465 HydrophobicContact CD1-CB 4.23Å; F459-N465 HydrophobicContact CD2-CB 4.2Å; F459-N465 WeakPolarHBondContact CD2-ND2 3.5Å; F459-N465 HydrophobicContact CE1-CB 4.02Å; F459-N465 HydrophobicContact CE2-CB 4Å; F459-N465 VanDerWaalsContact CE2-CG 3.45Å; F459-N465 WeakPolarHBondContact CE2-ND2 3.39Å; F459-N465 HydrophobicContact CG-CB 4.32Å; F459-N465 HydrophobicContact CZ-CB 3.9Å; F459-N465 WeakPolarHBondContact O-CB 3.43Å; F459-N465 PolarHBondContact O-ND2 3.09Å; K462-N465 WeakPolarHBondContact CB-ND2 3.46Å; K462-N465 WeakPolarHBondContact O-CB 3.39Å; K462-N465 PolarHBondContact O-N 3.09Å; P463-N465 PolarHBondContact O-N 2.93Å; P463-N465 VanDerWaalsContact O-N 3.15Å; N465-P467 VanDerWaalsContact C-N 3.33Å; N465-Y468 WeakPolarHBondContact O-CB 3.37Å; N465-Y468 PolarHBondContact O-N 3.49Å |
| 466 | L | 91.8 | Very high | 87.4 | Confident | 41 Ų | 41 | 49.2 Ų | 49.2 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -53.5 | -39.8 | -174.1 | -165.4 | 64.2 | 0 | 0 | 0 | 114 | L460 P463 Y468 I469 R474 F509 P513 | L460-L466 HydrophobicContact CD1-CD1 3.9Å; P463-L466 VanDerWaalsContact O-CB 3.3Å; P463-L466 WeakPolarHBondContact O-CB 2.97Å; P463-L466 PolarHBondContact O-N 2.54Å; P463-L466 VanDerWaalsContact O-N 3.12Å; L466-Y468 PolarHBondContact O-N 3.45Å; L466-I469 PolarHBondContact O-N 3.3Å; L466-I469 VanDerWaalsContact O-N 3.11Å; L466-R474 HydrophobicContact CD1-CG 4.09Å; L466-F509 HydrophobicContact CB-CE1 4.3Å; L466-F509 HydrophobicContact CB-CZ 4.18Å; L466-F509 HydrophobicContact CD2-CE1 4.38Å; L466-F509 HydrophobicContact CD2-CZ 4.27Å; L466-F509 HydrophobicContact CG-CE1 4.37Å; L466-F509 HydrophobicContact CG-CZ 3.96Å; L466-P513 HydrophobicContact CD2-CB 3.75Å |
| 467 | P | 93.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -62.2 | -23 | 175.9 | -18.7 | 28.1 | 0 | 0 | 0 | 114.7 | N465 Y488 T492 P503 F509 P518 | N465-P467 VanDerWaalsContact C-N 3.33Å; P467-Y488 WeakPolarHBondContact O-CE1 3.4Å; P467-T492 HydrophobicContact CB-CG2 3.94Å; P467-T492 WeakPolarHBondContact O-CG2 3.35Å; P467-T492 PolarHBondContact O-OG1 3.02Å; P467-P503 HydrophobicContact CB-CB 3.66Å; P467-P503 HydrophobicContact CG-CB 3.92Å; P467-F509 VanDerWaalsContact CA-CZ 3.48Å; P467-F509 HydrophobicContact CB-CD1 4.4Å; P467-F509 HydrophobicContact CB-CE1 4.07Å; P467-F509 HydrophobicContact CB-CE2 4.28Å; P467-F509 HydrophobicContact CB-CZ 4Å; P467-F509 HydrophobicContact CG-CD1 3.84Å; P467-F509 HydrophobicContact CG-CE1 3.46Å; P467-F509 VanDerWaalsContact CG-CE1 3.46Å; P467-F509 HydrophobicContact CG-CZ 3.85Å; P467-P518 HydrophobicContact CB-CG 4.36Å |
| 468 | Y | 94.2 | Very high | 85.2 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 2% | 0.02 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -88.9 | -10.4 | 179.9 | -55.6 | -93 | 0 | 0 | 0 | 112.2 | N425 S426 N465 L466 S489 T492 I493 E496 P503 | N425-Y468 HydrophobicContact CB-CD1 3.7Å; N425-Y468 HydrophobicContact CB-CD2 3.86Å; N425-Y468 HydrophobicContact CB-CE1 3.86Å; N425-Y468 HydrophobicContact CB-CE2 4.01Å; N425-Y468 HydrophobicContact CB-CG 3.7Å; S426-Y468 PolarHBondContact OG-OH 3.46Å; S426-Y468 VanDerWaalsContact OG-OH 3.09Å; N465-Y468 WeakPolarHBondContact O-CB 3.37Å; N465-Y468 PolarHBondContact O-N 3.49Å; L466-Y468 PolarHBondContact O-N 3.45Å; Y468-S489 WeakPolarHBondContact O-CB 3.46Å; Y468-S489 PolarHBondContact O-OG 2.89Å; Y468-T492 HydrophobicContact CD1-CG2 3.58Å; Y468-T492 HydrophobicContact CD2-CG2 4.4Å; Y468-T492 HydrophobicContact CE1-CG2 3.68Å; Y468-T492 HydrophobicContact CE2-CG2 4.49Å; Y468-T492 HydrophobicContact CG-CG2 3.96Å; Y468-I493 HydrophobicContact CD1-CG1 4.19Å; Y468-I493 HydrophobicContact CE1-CG1 3.9Å; Y468-E496 PolarHBondContact OH-OE2 3.41Å; Y468-P503 HydrophobicContact CE2-CG 4.42Å |
| 469 | I | 92.4 | Very high | 84.2 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -93.1 | 126.1 | -178.1 | -60.8 | 173.5 | 0 | 0 | 0 | 108.6 | F459 L460 L466 R474 Y488 | F459-I469 HydrophobicContact CD1-CD1 3.78Å; F459-I469 HydrophobicContact CD1-CG1 3.73Å; F459-I469 HydrophobicContact CE1-CD1 4.23Å; F459-I469 HydrophobicContact CE1-CG1 3.75Å; L460-I469 HydrophobicContact CB-CD1 4.17Å; L460-I469 HydrophobicContact CD1-CD1 3.64Å; L466-I469 PolarHBondContact O-N 3.3Å; L466-I469 VanDerWaalsContact O-N 3.11Å; I469-R474 HydrophobicContact CB-CG 4.5Å; I469-R474 HydrophobicContact CG2-CG 3.95Å; I469-R474 PolarHBondContact O-NE 3.49Å; I469-R474 PolarHBondContact O-NH2 3.47Å; I469-Y488 WeakPolarHBondContact O-CE1 3.41Å |
| 470 | P | 91.8 | Very high | 83.7 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | trans | -58.2 | 142.8 | 175 | -13.5 | 19.5 | 0 | 0 | 0 | 111.7 | E472 Y473 V485 Y488 | P470-E472 HydrophobicContact CB-CG 4.47Å; P470-E472 WeakPolarHBondContact CB-OE1 3.34Å; P470-E472 WeakPolarHBondContact CB-OE2 3.21Å; P470-E472 PolarHBondContact O-N 2.87Å; P470-E472 VanDerWaalsContact O-N 3.14Å; P470-Y473 HydrophobicContact CB-CD2 4.07Å; P470-Y473 HydrophobicContact CG-CD2 3.95Å; P470-Y473 PolarHBondContact O-N 3.31Å; P470-V485 HydrophobicContact CG-CB 4.48Å; P470-V485 HydrophobicContact CG-CG1 4.07Å; P470-Y488 HydrophobicContact CB-CD1 4.16Å; P470-Y488 HydrophobicContact CB-CD2 4.06Å; P470-Y488 HydrophobicContact CB-CG 3.86Å; P470-Y488 HydrophobicContact CG-CD1 4.07Å; P470-Y488 HydrophobicContact CG-CG 3.87Å | ||
| 471 | P | 89.3 | Confident | 83.5 | Confident | 38 Ų | 38 | 64 Ų | 64 | 25% | 0.247 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -49.4 | -41.3 | 178.5 | -26.8 | 33.1 | 0 | 0 | 0 | 113.4 | Y473 R474 Y488 | P471-Y473 PolarHBondContact O-N 3.04Å; P471-Y473 VanDerWaalsContact O-N 3.09Å; P471-R474 PolarHBondContact O-N 3.42Å; P471-R474 VanDerWaalsContact O-N 3.09Å; P471-Y488 HydrophobicContact CG-CE2 4.47Å |
| 472 | E | 86.8 | Confident | 83.7 | Confident | 56 Ų | 56 | 61.5 Ų | 61.5 | 26% | 0.262 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69 | -6.5 | -179.6 | 74 | -75.7 | -178.3 | 0 | 0 | 114.6 | P470 Y476 V554 R557 | P470-E472 HydrophobicContact CB-CG 4.47Å; P470-E472 WeakPolarHBondContact CB-OE1 3.34Å; P470-E472 WeakPolarHBondContact CB-OE2 3.21Å; P470-E472 PolarHBondContact O-N 2.87Å; P470-E472 VanDerWaalsContact O-N 3.14Å; E472-Y476 WeakPolarHBondContact O-CD2 3.39Å; E472-Y476 VanDerWaalsContact O-CE2 3.29Å; E472-Y476 WeakPolarHBondContact O-CE2 3Å; E472-V554 HydrophobicContact CG-CG2 4.01Å; E472-V554 VanDerWaalsContact OE1-CG2 3.26Å; E472-V554 WeakPolarHBondContact OE1-CG2 3.39Å; E472-R557 VanDerWaalsContact CD-NH2 3.34Å; E472-R557 IonicContact OE1-CZ 2.9Å; E472-R557 VanDerWaalsContact OE1-CZ 3.25Å; E472-R557 IonicContact OE1-NH1 3.86Å; E472-R557 PolarHBondContact OE1-NH1 2.86Å; E472-R557 IonicContact OE1-NH2 3.5Å; E472-R557 PolarHBondContact OE1-NH2 3.18Å; E472-R557 IonicContact OE2-NH2 3.33Å; E472-R557 PolarHBondContact OE2-NH2 3.34Å |
| 473 | Y | 88.5 | Confident | 84 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -108.8 | -3.8 | 173.9 | -76.8 | -102.2 | 0 | 0 | 0 | 113 | H456 P470 P471 T479 L480 F481 V485 | H456-Y473 PolarHBondContact NE2-O 2.99Å; P470-Y473 HydrophobicContact CB-CD2 4.07Å; P470-Y473 HydrophobicContact CG-CD2 3.95Å; P470-Y473 PolarHBondContact O-N 3.31Å; P471-Y473 PolarHBondContact O-N 3.04Å; P471-Y473 VanDerWaalsContact O-N 3.09Å; Y473-T479 HydrophobicContact CD1-CG2 3.92Å; Y473-T479 WeakPolarHBondContact CD1-OG1 3.49Å; Y473-T479 HydrophobicContact CE1-CG2 3.88Å; Y473-L480 PolarHBondContact OH-O 3.5Å; Y473-F481 HydrophobicContact CD1-CD1 4.23Å; Y473-F481 HydrophobicContact CD1-CE1 4.07Å; Y473-F481 AromaticContact CE1-CD1 3.83Å; Y473-F481 HydrophobicContact CE1-CD1 3.83Å; Y473-F481 HydrophobicContact CE1-CE1 4.14Å; Y473-V485 HydrophobicContact CD1-CG2 4.41Å; Y473-V485 HydrophobicContact CD2-CG2 4.01Å; Y473-V485 HydrophobicContact CE1-CG2 3.79Å; Y473-V485 HydrophobicContact CE2-CG2 3.36Å; Y473-V485 WeakPolarHBondContact OH-CG2 3.32Å |
| 474 | R | 86.6 | Confident | 84.5 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 5% | 0.045 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -74.2 | -32 | -175.4 | -64.1 | 176.5 | -171.5 | 159 | -6.1 | 113.4 | L466 I469 P471 Y488 P513 M514 N516 | L466-R474 HydrophobicContact CD1-CG 4.09Å; I469-R474 HydrophobicContact CB-CG 4.5Å; I469-R474 HydrophobicContact CG2-CG 3.95Å; I469-R474 PolarHBondContact O-NE 3.49Å; I469-R474 PolarHBondContact O-NH2 3.47Å; P471-R474 PolarHBondContact O-N 3.42Å; P471-R474 VanDerWaalsContact O-N 3.09Å; R474-Y488 PolarHBondContact NH2-OH 3.19Å; R474-Y488 VanDerWaalsContact NH2-OH 3.11Å; R474-P513 VanDerWaalsContact CZ-O 3.25Å; R474-P513 PolarHBondContact NH1-O 2.8Å; R474-M514 HydrophobicContact CB-SD 3.77Å; R474-M514 PolarHBondContact NH1-O 2.92Å; R474-N516 PolarHBondContact NH1-O 3.47Å; R474-N516 PolarHBondContact NH2-O 2.99Å; R474-N516 VanDerWaalsContact NH2-O 3.13Å |
| 475 | D | 79.4 | Confident | 84.7 | Confident | 107 Ų | 107 | 51.6 Ų | 51.6 | 57% | 0.572 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -106.6 | 2.7 | -174.5 | -73.6 | -32.1 | 0 | 0 | 0 | 115.1 | M514 | D475-M514 WeakPolarHBondContact OD1-CE 3.47Š|
| 476 | Y | 66.5 | Low | 85 | Confident | 141 Ų | 141 | 51.3 Ų | 51.3 | 55% | 0.553 | 26% | 0.255 | S | S | * | . | trans | -96.4 | 140.6 | -165.9 | -88.1 | -95.7 | 0 | 0 | 0 | 115.8 | E472 T479 | E472-Y476 WeakPolarHBondContact O-CD2 3.39Å; E472-Y476 VanDerWaalsContact O-CE2 3.29Å; E472-Y476 WeakPolarHBondContact O-CE2 3Å; Y476-T479 VanDerWaalsContact CB-CG2 3.47Å; Y476-T479 HydrophobicContact CD1-CG2 4.06Å; Y476-T479 HydrophobicContact CG-CG2 3.86Å | ||
| 477 | K | 64.1 | Low | 85.2 | Confident | 168 Ų | 168 | 49.7 Ų | 49.7 | 73% | 0.73 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -94.3 | -14.6 | -177.3 | -69.2 | -175.6 | 179.6 | 178.4 | 0 | 115.6 | F453 | F453-K477 VanDerWaalsContact CD2-C 3.44Å; F453-K477 WeakPolarHBondContact CD2-O 3.38Å; F453-K477 HydrophobicContact CE2-CB 4.38Å; F453-K477 VanDerWaalsContact CE2-O 3.29Å; F453-K477 WeakPolarHBondContact CE2-O 3.44Å; F453-K477 WeakPolarHBondContact CG-O 3.38Å |
| 478 | E | 62.8 | Low | 85.4 | Confident | 179 Ų | 179 | 49.8 Ų | 49.8 | 84% | 0.836 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -156.5 | 87.9 | 178 | -67.6 | -174.1 | 172.6 | 0 | 0 | 110.4 | ||
| 479 | T | 65.2 | Low | 85.5 | Confident | 19 Ų | 19 | 49.6 Ų | 49.6 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | trans | -113.8 | 125.7 | -179 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | Y473 Y476 F481 | Y473-T479 HydrophobicContact CD1-CG2 3.92Å; Y473-T479 WeakPolarHBondContact CD1-OG1 3.49Å; Y473-T479 HydrophobicContact CE1-CG2 3.88Å; Y476-T479 VanDerWaalsContact CB-CG2 3.47Å; Y476-T479 HydrophobicContact CD1-CG2 4.06Å; Y476-T479 HydrophobicContact CG-CG2 3.86Å; T479-F481 PolarHBondContact O-N 3.11Å | ||
| 480 | L | 78.2 | Confident | 85.8 | Confident | 132 Ų | 132 | 49.4 Ų | 49.4 | 69% | 0.691 | 25% | 0.246 | S | C | * | . | trans | -70.5 | 123.9 | 162.2 | -175.2 | 66.8 | 0 | 0 | 0 | 108.2 | Y473 V482 | Y473-L480 PolarHBondContact OH-O 3.5Å; L480-V482 PolarHBondContact O-N 2.75Å | ||
| 481 | F | 83.7 | Confident | 86 | Confident | 18 Ų | 18 | 49.4 Ų | 49.4 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | trans | -70.7 | 128.5 | 174.2 | -70.5 | -61.3 | 0 | 0 | 0 | 110.2 | V420 N452 K455 H456 Y473 T479 V485 | V420-F481 HydrophobicContact CB-CB 4.19Å; V420-F481 HydrophobicContact CG1-CB 3.85Å; N452-F481 HydrophobicContact CB-CD2 4.14Å; N452-F481 HydrophobicContact CB-CE2 4.2Å; K455-F481 HydrophobicContact CD-CE2 4.09Å; K455-F481 HydrophobicContact CG-CE2 4.29Å; H456-F481 HydrophobicContact CB-CE1 4.48Å; H456-F481 HydrophobicContact CB-CE2 4.31Å; H456-F481 HydrophobicContact CB-CZ 3.62Å; H456-F481 AromaticContact CG-CZ 3.9Å; H456-F481 AromaticContact ND1-CE1 3.76Å; H456-F481 AromaticContact ND1-CZ 3.6Å; Y473-F481 HydrophobicContact CD1-CD1 4.23Å; Y473-F481 HydrophobicContact CD1-CE1 4.07Å; Y473-F481 AromaticContact CE1-CD1 3.83Å; Y473-F481 HydrophobicContact CE1-CD1 3.83Å; Y473-F481 HydrophobicContact CE1-CE1 4.14Å; T479-F481 PolarHBondContact O-N 3.11Å; F481-V485 HydrophobicContact CD1-CB 4.42Å; F481-V485 HydrophobicContact CD1-CG1 4.03Å; F481-V485 HydrophobicContact CD1-CG2 4.17Å; F481-V485 HydrophobicContact CE1-CG1 4.31Å | ||
| 482 | V | 91 | Very high | 86.4 | Confident | 54 Ų | 54 | 47.6 Ų | 47.6 | 33% | 0.327 | 23% | 0.234 | S | C | . | . | trans | -108.4 | 155.8 | 170.6 | -65.7 | 0 | 0 | 0 | 0 | 109.6 | L480 A484 V485 | L480-V482 PolarHBondContact O-N 2.75Å; V482-A484 HydrophobicContact CG2-CB 4.01Å; V482-A484 PolarHBondContact O-N 2.94Å; V482-V485 HydrophobicContact CG2-CG2 4.19Å; V482-V485 WeakPolarHBondContact O-CB 3.28Å; V482-V485 WeakPolarHBondContact O-CG2 3.43Å; V482-V485 PolarHBondContact O-N 3.42Å | ||
| 483 | P | 94.3 | Very high | 86.9 | Confident | 63 Ų | 63 | 44.9 Ų | 44.9 | 41% | 0.409 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -46.3 | -34.2 | 176.7 | -35.8 | 40.3 | 0 | 0 | 0 | 115.1 | H415 V420 V485 D486 I487 | H415-P483 PolarHBondContact CE1-O 2.88Å; V420-P483 HydrophobicContact CG2-CG 4.16Å; P483-V485 PolarHBondContact O-N 3.07Å; P483-V485 VanDerWaalsContact O-N 3.15Å; P483-D486 PolarHBondContact O-N 2.88Å; P483-D486 VanDerWaalsContact O-N 3.13Å; P483-I487 PolarHBondContact O-N 3.23Å |
| 484 | A | 94.7 | Very high | 87.2 | Confident | 16 Ų | 16 | 44 Ų | 44 | 13% | 0.132 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.8 | -18 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V482 Y488 V554 R557 | V482-A484 HydrophobicContact CG2-CB 4.01Å; V482-A484 PolarHBondContact O-N 2.94Å; A484-Y488 PolarHBondContact O-N 3.01Å; A484-V554 HydrophobicContact CB-CG1 3.82Å; A484-R557 WeakPolarHBondContact O-CD 3.37Å; A484-R557 PolarHBondContact O-NH1 2.87Å |
| 485 | V | 93.8 | Very high | 87.7 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.7 | -47 | 173.4 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | P470 Y473 F481 V482 P483 I487 Y488 S489 | P470-V485 HydrophobicContact CG-CB 4.48Å; P470-V485 HydrophobicContact CG-CG1 4.07Å; Y473-V485 HydrophobicContact CD1-CG2 4.41Å; Y473-V485 HydrophobicContact CD2-CG2 4.01Å; Y473-V485 HydrophobicContact CE1-CG2 3.79Å; Y473-V485 HydrophobicContact CE2-CG2 3.36Å; Y473-V485 WeakPolarHBondContact OH-CG2 3.32Å; F481-V485 HydrophobicContact CD1-CB 4.42Å; F481-V485 HydrophobicContact CD1-CG1 4.03Å; F481-V485 HydrophobicContact CD1-CG2 4.17Å; F481-V485 HydrophobicContact CE1-CG1 4.31Å; V482-V485 HydrophobicContact CG2-CG2 4.19Å; V482-V485 WeakPolarHBondContact O-CB 3.28Å; V482-V485 WeakPolarHBondContact O-CG2 3.43Å; V482-V485 PolarHBondContact O-N 3.42Å; P483-V485 PolarHBondContact O-N 3.07Å; P483-V485 VanDerWaalsContact O-N 3.15Å; V485-I487 PolarHBondContact O-N 3.16Å; V485-Y488 PolarHBondContact O-N 2.99Å; V485-S489 PolarHBondContact O-N 2.79Å; V485-S489 PolarHBondContact O-OG 3.08Å |
| 486 | D | 96.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.5 | -29 | 178.6 | -65.6 | -25.3 | 0 | 0 | 0 | 111.7 | L411 H415 V420 H421 G422 P483 S489 F490 | L411-D486 HydrophobicContact CD2-CB 4.15Å; H415-D486 IonicContact CD2-OD2 3.18Å; H415-D486 IonicContact CE1-OD2 2.73Å; H415-D486 IonicContact NE2-OD2 2.68Å; H415-D486 PolarHBondContact NE2-OD2 3.24Å; V420-D486 WeakPolarHBondContact CG1-OD2 3.43Å; H421-D486 WeakPolarHBondContact CB-OD1 3.3Å; H421-D486 PolarHBondContact N-OD1 2.78Å; H421-D486 PolarHBondContact N-OD2 3.14Å; G422-D486 PolarHBondContact N-OD1 2.87Å; P483-D486 PolarHBondContact O-N 2.88Å; P483-D486 VanDerWaalsContact O-N 3.13Å; D486-S489 PolarHBondContact O-N 3.37Å; D486-F490 WeakPolarHBondContact O-CB 3.45Å; D486-F490 PolarHBondContact O-N 2.79Å |
| 487 | I | 97.6 | Very high | 89.6 | Confident | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.036 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.1 | -42.7 | 177.6 | -53.2 | -54.3 | 0 | 0 | 0 | 111.5 | P483 V485 F490 G491 C550 R557 P558 L560 I563 | P483-I487 PolarHBondContact O-N 3.23Å; V485-I487 PolarHBondContact O-N 3.16Å; I487-F490 WeakPolarHBondContact O-CB 3.03Å; I487-F490 PolarHBondContact O-N 3.32Å; I487-G491 PolarHBondContact O-N 2.71Å; I487-C550 HydrophobicContact CG2-CB 4.06Å; I487-C550 WeakPolarHBondContact O-CB 3.47Å; I487-R557 HydrophobicContact CB-CB 4.47Å; I487-R557 HydrophobicContact CG2-CB 4.02Å; I487-P558 HydrophobicContact CG2-CG 4.46Å; I487-L560 HydrophobicContact CD1-CD1 4.17Å; I487-L560 HydrophobicContact CD1-CD2 3.78Å; I487-L560 HydrophobicContact CD1-CG 3.61Å; I487-I563 HydrophobicContact CD1-CD1 4.13Å; I487-I563 HydrophobicContact CG2-CD1 3.97Å |
| 488 | Y | 96.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.3 | -48 | 174.5 | -176.4 | -81.5 | 0 | 0 | 0 | 110.7 | P467 I469 P470 P471 R474 A484 V485 F490 G491 T492 C550 W551 | P467-Y488 WeakPolarHBondContact O-CE1 3.4Å; I469-Y488 WeakPolarHBondContact O-CE1 3.41Å; P470-Y488 HydrophobicContact CB-CD1 4.16Å; P470-Y488 HydrophobicContact CB-CD2 4.06Å; P470-Y488 HydrophobicContact CB-CG 3.86Å; P470-Y488 HydrophobicContact CG-CD1 4.07Å; P470-Y488 HydrophobicContact CG-CG 3.87Å; P471-Y488 HydrophobicContact CG-CE2 4.47Å; R474-Y488 PolarHBondContact NH2-OH 3.19Å; R474-Y488 VanDerWaalsContact NH2-OH 3.11Å; A484-Y488 PolarHBondContact O-N 3.01Å; V485-Y488 PolarHBondContact O-N 2.99Å; Y488-F490 PolarHBondContact O-N 3.31Å; Y488-G491 WeakPolarHBondContact O-CA 3.2Å; Y488-G491 PolarHBondContact O-N 3.26Å; Y488-T492 PolarHBondContact O-N 3.39Å; Y488-T492 VanDerWaalsContact O-N 3.15Å; Y488-T492 PolarHBondContact O-OG1 2.69Å; Y488-C550 WeakPolarHBondContact CA-O 3.43Å; Y488-W551 HydrophobicContact CD2-CB 4.25Å; Y488-W551 AromaticContact CD2-CD1 3.6Å; Y488-W551 HydrophobicContact CD2-CG 4.3Å; Y488-W551 HydrophobicContact CE2-CB 3.99Å; Y488-W551 AromaticContact CE2-CD1 3.5Å; Y488-W551 HydrophobicContact CE2-CG 4Å; Y488-W551 AromaticContact CG-CD1 3.93Å; Y488-W551 AromaticContact CZ-CD1 3.74Å; Y488-W551 PolarHBondContact O-NE1 2.71Å |
| 489 | S | 96.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.014 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60 | -36.1 | 177.4 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | L424 Y468 V485 D486 T492 I493 | L424-S489 VanDerWaalsContact O-CB 3.3Å; L424-S489 WeakPolarHBondContact O-CB 3.4Å; Y468-S489 WeakPolarHBondContact O-CB 3.46Å; Y468-S489 PolarHBondContact O-OG 2.89Å; V485-S489 PolarHBondContact O-N 2.79Å; V485-S489 PolarHBondContact O-OG 3.08Å; D486-S489 PolarHBondContact O-N 3.37Å; S489-T492 PolarHBondContact O-N 2.86Å; S489-I493 WeakPolarHBondContact O-CG1 3.07Å; S489-I493 PolarHBondContact O-N 3.12Å |
| 490 | F | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 174.4 | -174.4 | -88.8 | 0 | 0 | 0 | 111.6 | L404 L407 A408 L411 L424 D486 I487 Y488 T492 I493 M494 I563 L567 | L404-F490 HydrophobicContact CB-CZ 4.05Å; L404-F490 HydrophobicContact CD2-CZ 4.23Å; L404-F490 WeakPolarHBondContact O-CE2 3.38Å; L404-F490 WeakPolarHBondContact O-CZ 3.15Å; L407-F490 HydrophobicContact CB-CD2 4.47Å; L407-F490 HydrophobicContact CB-CE2 3.91Å; A408-F490 HydrophobicContact CB-CE2 3.93Å; A408-F490 HydrophobicContact CB-CZ 3.93Å; L411-F490 HydrophobicContact CD1-CB 4.47Å; L411-F490 HydrophobicContact CD1-CD2 3.91Å; L424-F490 HydrophobicContact CD2-CB 4.4Å; D486-F490 WeakPolarHBondContact O-CB 3.45Å; D486-F490 PolarHBondContact O-N 2.79Å; I487-F490 WeakPolarHBondContact O-CB 3.03Å; I487-F490 PolarHBondContact O-N 3.32Å; Y488-F490 PolarHBondContact O-N 3.31Å; F490-T492 VanDerWaalsContact C-N 3.29Å; F490-T492 PolarHBondContact O-N 2.99Å; F490-I493 CarbonylContact O-C 3.6Å; F490-I493 PolarHBondContact O-N 2.64Å; F490-I493 VanDerWaalsContact O-N 3.1Å; F490-M494 HydrophobicContact CD1-CG 4Å; F490-M494 HydrophobicContact CD1-SD 3.96Å; F490-M494 HydrophobicContact CE1-CG 3.73Å; F490-M494 HydrophobicContact CE1-SD 3.65Å; F490-M494 HydrophobicContact CZ-CG 4.5Å; F490-M494 WeakPolarHBondContact O-CG 3.49Å; F490-M494 PolarHBondContact O-N 3.36Å; F490-I563 HydrophobicContact CD1-CD1 4.44Å; F490-I563 HydrophobicContact CD1-CG2 4.24Å; F490-I563 HydrophobicContact CE1-CG2 3.54Å; F490-I563 HydrophobicContact CZ-CG2 4.03Å; F490-L567 HydrophobicContact CE1-CD1 4.24Å; F490-L567 HydrophobicContact CZ-CD1 3.86Å |
| 491 | G | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -56.4 | -41.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I487 Y488 I493 M494 W495 | I487-G491 PolarHBondContact O-N 2.71Å; Y488-G491 WeakPolarHBondContact O-CA 3.2Å; Y488-G491 PolarHBondContact O-N 3.26Å; G491-I493 PolarHBondContact O-N 3.25Å; G491-M494 WeakPolarHBondContact O-CB 3.46Å; G491-M494 PolarHBondContact O-N 3.3Å; G491-W495 PolarHBondContact O-N 3.1Å |
| 492 | T | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.6 | -35.2 | 175 | -50.7 | 0 | 0 | 0 | 0 | 112.6 | P467 Y468 Y488 S489 F490 W495 E496 P503 W551 | P467-T492 HydrophobicContact CB-CG2 3.94Å; P467-T492 WeakPolarHBondContact O-CG2 3.35Å; P467-T492 PolarHBondContact O-OG1 3.02Å; Y468-T492 HydrophobicContact CD1-CG2 3.58Å; Y468-T492 HydrophobicContact CD2-CG2 4.4Å; Y468-T492 HydrophobicContact CE1-CG2 3.68Å; Y468-T492 HydrophobicContact CE2-CG2 4.49Å; Y468-T492 HydrophobicContact CG-CG2 3.96Å; Y488-T492 PolarHBondContact O-N 3.39Å; Y488-T492 VanDerWaalsContact O-N 3.15Å; Y488-T492 PolarHBondContact O-OG1 2.69Å; S489-T492 PolarHBondContact O-N 2.86Å; F490-T492 VanDerWaalsContact C-N 3.29Å; F490-T492 PolarHBondContact O-N 2.99Å; T492-W495 WeakPolarHBondContact O-CB 3.45Å; T492-W495 PolarHBondContact O-N 3.27Å; T492-E496 PolarHBondContact O-N 3.42Å; T492-P503 HydrophobicContact CG2-CB 3.94Å; T492-P503 HydrophobicContact CG2-CG 3.94Å; T492-W551 PolarHBondContact OG1-NE1 3.41Å |
| 493 | I | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -68.6 | -34.8 | 172.5 | -65.7 | 169.2 | 0 | 0 | 0 | 111.3 | L384 L404 L407 L424 Y468 S489 F490 G491 W495 E496 T497 | L384-I493 HydrophobicContact CD2-CG2 3.84Å; L404-I493 HydrophobicContact CD2-CG2 3.98Å; L407-I493 HydrophobicContact CD1-CG2 4.02Å; L424-I493 HydrophobicContact CD1-CD1 4.39Å; L424-I493 HydrophobicContact CD2-CD1 4.02Å; L424-I493 HydrophobicContact CG-CD1 3.83Å; Y468-I493 HydrophobicContact CD1-CG1 4.19Å; Y468-I493 HydrophobicContact CE1-CG1 3.9Å; S489-I493 WeakPolarHBondContact O-CG1 3.07Å; S489-I493 PolarHBondContact O-N 3.12Å; F490-I493 CarbonylContact O-C 3.6Å; F490-I493 PolarHBondContact O-N 2.64Å; F490-I493 VanDerWaalsContact O-N 3.1Å; G491-I493 PolarHBondContact O-N 3.25Å; I493-W495 VanDerWaalsContact C-N 3.34Å; I493-E496 PolarHBondContact O-N 3.33Å; I493-T497 VanDerWaalsContact O-CB 3.3Å; I493-T497 WeakPolarHBondContact O-CB 3.5Å; I493-T497 PolarHBondContact O-N 2.82Å; I493-T497 PolarHBondContact O-OG1 2.85Å |
| 494 | M | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.3 | -47.1 | 170.9 | -68.8 | -177 | 63.1 | 0 | 0 | 110.5 | L404 F490 G491 E496 T497 A498 Y543 L546 M547 L567 | L404-M494 HydrophobicContact CD1-CG 4.08Å; L404-M494 HydrophobicContact CD2-CG 3.92Å; F490-M494 HydrophobicContact CD1-CG 4Å; F490-M494 HydrophobicContact CD1-SD 3.96Å; F490-M494 HydrophobicContact CE1-CG 3.73Å; F490-M494 HydrophobicContact CE1-SD 3.65Å; F490-M494 HydrophobicContact CZ-CG 4.5Å; F490-M494 WeakPolarHBondContact O-CG 3.49Å; F490-M494 PolarHBondContact O-N 3.36Å; G491-M494 WeakPolarHBondContact O-CB 3.46Å; G491-M494 PolarHBondContact O-N 3.3Å; M494-E496 VanDerWaalsContact C-N 3.35Å; M494-E496 PolarHBondContact O-N 3.12Å; M494-T497 WeakPolarHBondContact O-CB 3.34Å; M494-T497 PolarHBondContact O-N 3.16Å; M494-T497 VanDerWaalsContact O-N 3.12Å; M494-A498 PolarHBondContact O-N 3.16Å; M494-Y543 WeakPolarHBondContact CA-OH 3.38Å; M494-Y543 HydrophobicContact CB-CE1 4.27Å; M494-Y543 HydrophobicContact CE-CD1 4.29Å; M494-Y543 HydrophobicContact CE-CD2 4.32Å; M494-Y543 HydrophobicContact CE-CE1 3.96Å; M494-Y543 HydrophobicContact CE-CE2 3.97Å; M494-Y543 HydrophobicContact CE-CG 4.46Å; M494-Y543 PolarHBondContact O-OH 3.05Å; M494-L546 HydrophobicContact CE-CB 4.09Å; M494-L546 HydrophobicContact CE-CD2 3.83Å; M494-L546 HydrophobicContact CE-CG 3.91Å; M494-L546 HydrophobicContact SD-CD2 4.31Å; M494-L546 HydrophobicContact SD-CG 4.18Å; M494-M547 HydrophobicContact CB-CB 4.43Å; M494-M547 HydrophobicContact CB-CG 4.14Å; M494-M547 HydrophobicContact CB-SD 4.18Å; M494-M547 HydrophobicContact CE-CB 4.1Å; M494-M547 HydrophobicContact SD-CB 4.39Å; M494-L567 HydrophobicContact CE-CD2 4.32Å |
| 495 | W | 95.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.008 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -55.9 | -50 | 175.9 | -174.9 | 95.9 | 0 | 0 | 0 | 111.8 | G491 T492 I493 T497 A498 S499 S501 P503 D506 P518 E519 P521 M547 W551 | G491-W495 PolarHBondContact O-N 3.1Å; T492-W495 WeakPolarHBondContact O-CB 3.45Å; T492-W495 PolarHBondContact O-N 3.27Å; I493-W495 VanDerWaalsContact C-N 3.34Å; W495-T497 VanDerWaalsContact C-N 3.25Å; W495-T497 PolarHBondContact O-N 2.89Å; W495-A498 PolarHBondContact O-N 2.84Å; W495-A498 VanDerWaalsContact O-N 3.16Å; W495-S499 WeakPolarHBondContact CH2-OG 3.41Å; W495-S499 WeakPolarHBondContact CZ3-OG 3.48Å; W495-S499 WeakPolarHBondContact O-CB 3.42Å; W495-S499 PolarHBondContact O-N 3.03Å; W495-S499 PolarHBondContact O-OG 2.97Å; W495-S501 WeakPolarHBondContact CZ3-O 3.42Å; W495-P503 HydrophobicContact CE3-CB 3.97Å; W495-P503 HydrophobicContact CE3-CG 3.73Å; W495-P503 VanDerWaalsContact CZ3-CA 3.42Å; W495-P503 HydrophobicContact CZ3-CB 3.9Å; W495-P503 HydrophobicContact CZ3-CG 3.8Å; W495-D506 HydrophobicContact CH2-CB 4.11Å; W495-D506 HydrophobicContact CZ2-CB 4.14Å; W495-D506 WeakPolarHBondContact CZ2-OD2 3.18Å; W495-P518 HydrophobicContact CD2-CB 3.91Å; W495-P518 HydrophobicContact CD2-CG 4.41Å; W495-P518 HydrophobicContact CG-CB 4.16Å; W495-P518 HydrophobicContact CZ2-CB 3.92Å; W495-E519 PolarHBondContact NE1-O 3.27Å; W495-P521 HydrophobicContact CG-CG 4.35Å; W495-M547 WeakPolarHBondContact CA-SD 3.38Å; W495-M547 HydrophobicContact CB-SD 3.61Å; W495-M547 HydrophobicContact CG-SD 4.32Å; W495-M547 PolarHBondContact N-SD 3.4Å; W495-M547 VanDerWaalsContact N-SD 3.41Å; W495-W551 HydrophobicContact CB-CH2 3.85Å; W495-W551 HydrophobicContact CB-CZ2 3.88Å; W495-W551 AromaticContact CD1-CH2 3.78Å; W495-W551 HydrophobicContact CG-CH2 4.1Å; W495-W551 HydrophobicContact CG-CZ2 4.48Å |
| 496 | E | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.2 | -33.6 | 179.1 | -176.8 | 170.3 | -166.2 | 0 | 0 | 112.1 | C385 L388 R389 S426 Y468 T492 I493 M494 R500 S501 P503 | C385-E496 WeakPolarHBondContact CB-OE1 3.45Å; L388-E496 HydrophobicContact CD1-CB 4.42Å; L388-E496 HydrophobicContact CD1-CG 3.81Å; R389-E496 IonicContact CZ-OE1 2.71Å; R389-E496 IonicContact NE-OE1 2.55Å; R389-E496 PolarHBondContact NE-OE1 3.17Å; R389-E496 IonicContact NH2-OE1 3.64Å; R389-E496 PolarHBondContact NH2-OE1 3.44Å; S426-E496 WeakPolarHBondContact CB-OE2 3.36Å; S426-E496 PolarHBondContact OG-OE1 2.89Å; S426-E496 PolarHBondContact OG-OE2 3.4Å; Y468-E496 PolarHBondContact OH-OE2 3.41Å; T492-E496 PolarHBondContact O-N 3.42Å; I493-E496 PolarHBondContact O-N 3.33Å; M494-E496 VanDerWaalsContact C-N 3.35Å; M494-E496 PolarHBondContact O-N 3.12Å; E496-R500 WeakPolarHBondContact O-CA 3.45Å; E496-R500 PolarHBondContact O-N 2.72Å; E496-S501 WeakPolarHBondContact CG-O 3.29Å; E496-P503 HydrophobicContact CB-CG 4.07Å |
| 497 | T | 92.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68 | -38 | 176.8 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | L388 R400 L404 I493 M494 W495 | L388-T497 HydrophobicContact CD2-CG2 4.29Å; R400-T497 HydrophobicContact CB-CG2 3.54Å; R400-T497 HydrophobicContact CG-CG2 4.01Å; L404-T497 HydrophobicContact CD1-CG2 3.92Å; L404-T497 HydrophobicContact CG-CG2 4.18Å; I493-T497 VanDerWaalsContact O-CB 3.3Å; I493-T497 WeakPolarHBondContact O-CB 3.5Å; I493-T497 PolarHBondContact O-N 2.82Å; I493-T497 PolarHBondContact O-OG1 2.85Å; M494-T497 WeakPolarHBondContact O-CB 3.34Å; M494-T497 PolarHBondContact O-N 3.16Å; M494-T497 VanDerWaalsContact O-N 3.12Å; W495-T497 VanDerWaalsContact C-N 3.25Å; W495-T497 PolarHBondContact O-N 2.89Å |
| 498 | A | 91 | Very high | 91.3 | Very high | 2 Ų | 2 | 25.8 Ų | 25.8 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -77.4 | -46.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W397 M494 W495 P521 F526 Y543 | W397-A498 HydrophobicContact CH2-CB 3.78Å; M494-A498 PolarHBondContact O-N 3.16Å; W495-A498 PolarHBondContact O-N 2.84Å; W495-A498 VanDerWaalsContact O-N 3.16Å; A498-P521 HydrophobicContact CB-CB 4.35Å; A498-P521 HydrophobicContact CB-CG 3.9Å; A498-F526 HydrophobicContact CB-CE2 4.2Å; A498-F526 HydrophobicContact CB-CZ 3.99Å; A498-Y543 HydrophobicContact CB-CE1 3.86Å |
| 499 | S | 89 | Confident | 90.6 | Very high | 11 Ų | 11 | 26 Ų | 26 | 8% | 0.077 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -79.1 | -21.9 | -176.9 | 72.5 | 0 | 0 | 0 | 0 | 113.6 | W495 S501 | W495-S499 WeakPolarHBondContact CH2-OG 3.41Å; W495-S499 WeakPolarHBondContact CZ3-OG 3.48Å; W495-S499 WeakPolarHBondContact O-CB 3.42Å; W495-S499 PolarHBondContact O-N 3.03Å; W495-S499 PolarHBondContact O-OG 2.97Å; S499-S501 PolarHBondContact O-N 3.31Å; S499-S501 PolarHBondContact O-OG 3.5Å; S499-S501 PolarHBondContact OG-N 3.48Å; S499-S501 VanDerWaalsContact OG-N 3.16Å |
| 500 | R | 89.6 | Confident | 89.7 | Confident | 19 Ų | 19 | 30 Ų | 30 | 7% | 0.072 | 16% | 0.161 | C | C | . | . | trans | 50.9 | 24.7 | -169.6 | -64.6 | -174.7 | 64.9 | 140.2 | 9.9 | 113.9 | L388 R390 I393 E496 D529 | L388-R500 PolarHBondContact O-NE 3.45Å; L388-R500 PolarHBondContact O-NH2 3.38Å; R390-R500 PolarHBondContact O-NH2 2.87Å; I393-R500 PolarHBondContact O-NH1 3.3Å; I393-R500 PolarHBondContact O-NH2 2.86Å; E496-R500 WeakPolarHBondContact O-CA 3.45Å; E496-R500 PolarHBondContact O-N 2.72Å; R500-D529 WeakPolarHBondContact CD-OD2 3.3Å; R500-D529 IonicContact CZ-OD2 3.28Å; R500-D529 IonicContact NE-OD2 3.25Å; R500-D529 IonicContact NH1-OD2 2.99Å; R500-D529 PolarHBondContact NH1-OD2 3.45Å; R500-D529 VanDerWaalsContact NH1-OD2 3.1Å | ||
| 501 | S | 89.7 | Confident | 88.7 | Confident | 46 Ų | 46 | 33.3 Ų | 33.3 | 32% | 0.322 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -121.6 | 161 | -171.7 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | W495 E496 S499 P503 | W495-S501 WeakPolarHBondContact CZ3-O 3.42Å; E496-S501 WeakPolarHBondContact CG-O 3.29Å; S499-S501 PolarHBondContact O-N 3.31Å; S499-S501 PolarHBondContact O-OG 3.5Å; S499-S501 PolarHBondContact OG-N 3.48Å; S499-S501 VanDerWaalsContact OG-N 3.16Å; S501-P503 WeakPolarHBondContact O-CD 3.35Å |
| 502 | D | 90.4 | Very high | 88 | Confident | 27 Ų | 27 | 38.3 Ų | 38.3 | 14% | 0.144 | 21% | 0.211 | C | C | . | . | trans | -73.8 | 119.7 | 175.9 | -166.4 | -29 | 0 | 0 | 0 | 110.7 | R389 S504 Q505 | R389-D502 VanDerWaalsContact CZ-CG 3.48Å; R389-D502 IonicContact CZ-OD2 2.68Å; R389-D502 VanDerWaalsContact NH1-CG 3.27Å; R389-D502 IonicContact NH1-OD2 3.42Å; R389-D502 PolarHBondContact NH1-OD2 3.4Å; R389-D502 VanDerWaalsContact NH2-CG 3.29Å; R389-D502 IonicContact NH2-OD1 2.74Å; R389-D502 PolarHBondContact NH2-OD1 3.31Å; R389-D502 IonicContact NH2-OD2 2.72Å; R389-D502 PolarHBondContact NH2-OD2 2.99Å; D502-S504 PolarHBondContact O-N 2.75Å; D502-S504 WeakPolarHBondContact OD1-CB 3.37Å; D502-S504 PolarHBondContact OD1-N 2.83Å; D502-S504 PolarHBondContact OD1-OG 3.23Å; D502-S504 PolarHBondContact OD2-OG 2.81Å; D502-Q505 HydrophobicContact CB-CB 4.34Å; D502-Q505 HydrophobicContact CB-CG 4.05Å; D502-Q505 PolarHBondContact O-N 3.48Å; D502-Q505 VanDerWaalsContact O-N 3.09Å | ||
| 503 | P | 91.6 | Very high | 87 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -60.4 | -25.6 | 178.6 | -20.6 | 31.3 | 0 | 0 | 0 | 113.8 | P467 Y468 T492 W495 E496 S501 Q505 D506 P518 | P467-P503 HydrophobicContact CB-CB 3.66Å; P467-P503 HydrophobicContact CG-CB 3.92Å; Y468-P503 HydrophobicContact CE2-CG 4.42Å; T492-P503 HydrophobicContact CG2-CB 3.94Å; T492-P503 HydrophobicContact CG2-CG 3.94Å; W495-P503 HydrophobicContact CE3-CB 3.97Å; W495-P503 HydrophobicContact CE3-CG 3.73Å; W495-P503 VanDerWaalsContact CZ3-CA 3.42Å; W495-P503 HydrophobicContact CZ3-CB 3.9Å; W495-P503 HydrophobicContact CZ3-CG 3.8Å; E496-P503 HydrophobicContact CB-CG 4.07Å; S501-P503 WeakPolarHBondContact O-CD 3.35Å; P503-Q505 PolarHBondContact O-N 2.97Å; P503-D506 PolarHBondContact O-N 3.28Å; P503-P518 HydrophobicContact CB-CG 3.98Å |
| 504 | S | 87.4 | Confident | 85.9 | Confident | 31 Ų | 31 | 43.8 Ų | 43.8 | 22% | 0.217 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -76 | -10.1 | 179.5 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | D502 V510 | D502-S504 PolarHBondContact O-N 2.75Å; D502-S504 WeakPolarHBondContact OD1-CB 3.37Å; D502-S504 PolarHBondContact OD1-N 2.83Å; D502-S504 PolarHBondContact OD1-OG 3.23Å; D502-S504 PolarHBondContact OD2-OG 2.81Å; S504-V510 WeakPolarHBondContact O-CG2 3.17Å |
| 505 | Q | 86.9 | Confident | 84.7 | Confident | 146 Ų | 146 | 52 Ų | 52 | 68% | 0.682 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -106.7 | 7.1 | 177.5 | -61.1 | -175 | -1.3 | 0 | 0 | 112.4 | D502 P503 D507 | D502-Q505 HydrophobicContact CB-CB 4.34Å; D502-Q505 HydrophobicContact CB-CG 4.05Å; D502-Q505 PolarHBondContact O-N 3.48Å; D502-Q505 VanDerWaalsContact O-N 3.09Å; P503-Q505 PolarHBondContact O-N 2.97Å; Q505-D507 PolarHBondContact O-N 3.43Å |
| 506 | D | 84.3 | Confident | 83.8 | Confident | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.064 | 29% | 0.285 | C | S | . | . | trans | -71.6 | 124.2 | 175.8 | -171.7 | -110.1 | 0 | 0 | 0 | 110.2 | W495 P503 E508 F509 V510 P518 E519 | W495-D506 HydrophobicContact CH2-CB 4.11Å; W495-D506 HydrophobicContact CZ2-CB 4.14Å; W495-D506 WeakPolarHBondContact CZ2-OD2 3.18Å; P503-D506 PolarHBondContact O-N 3.28Å; D506-E508 VanDerWaalsContact C-N 3.29Å; D506-E508 PolarHBondContact O-N 3.13Å; D506-F509 HydrophobicContact CB-CB 4.15Å; D506-F509 PolarHBondContact O-N 3.22Å; D506-V510 WeakPolarHBondContact O-CB 3.16Å; D506-V510 VanDerWaalsContact O-CG2 3.23Å; D506-V510 WeakPolarHBondContact O-CG2 3.33Å; D506-V510 PolarHBondContact O-N 3.17Å; D506-P518 HydrophobicContact CB-CB 4.13Å; D506-P518 WeakPolarHBondContact OD1-CA 3.47Å; D506-E519 PolarHBondContact OD1-N 3.06Å | ||
| 507 | D | 78.9 | Confident | 83.4 | Confident | 142 Ų | 142 | 57 Ų | 57 | 76% | 0.759 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -57.4 | -40.4 | -170.1 | -69.8 | -36.5 | 0 | 0 | 0 | 112.6 | Q505 V510 A511 | Q505-D507 PolarHBondContact O-N 3.43Å; D507-V510 PolarHBondContact O-N 3.13Å; D507-A511 PolarHBondContact O-N 2.88Å |
| 508 | E | 78 | Confident | 83.1 | Confident | 100 Ų | 100 | 57 Ų | 57 | 47% | 0.467 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.6 | -42.6 | -178.9 | -166.6 | 67.7 | -170.6 | 0 | 0 | 111.6 | D506 V510 A511 E512 E519 | D506-E508 VanDerWaalsContact C-N 3.29Å; D506-E508 PolarHBondContact O-N 3.13Å; E508-V510 VanDerWaalsContact C-N 3.3Å; E508-V510 PolarHBondContact O-N 2.87Å; E508-A511 WeakPolarHBondContact O-CB 3.31Å; E508-A511 PolarHBondContact O-N 3.16Å; E508-E512 PolarHBondContact O-N 2.78Å; E508-E519 HydrophobicContact CB-CB 4.25Å |
| 509 | F | 80.7 | Confident | 82.9 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 174.2 | -175.7 | -95.9 | 0 | 0 | 0 | 111.6 | L466 P467 D506 A511 E512 P513 N516 P518 | L466-F509 HydrophobicContact CB-CE1 4.3Å; L466-F509 HydrophobicContact CB-CZ 4.18Å; L466-F509 HydrophobicContact CD2-CE1 4.38Å; L466-F509 HydrophobicContact CD2-CZ 4.27Å; L466-F509 HydrophobicContact CG-CE1 4.37Å; L466-F509 HydrophobicContact CG-CZ 3.96Å; P467-F509 VanDerWaalsContact CA-CZ 3.48Å; P467-F509 HydrophobicContact CB-CD1 4.4Å; P467-F509 HydrophobicContact CB-CE1 4.07Å; P467-F509 HydrophobicContact CB-CE2 4.28Å; P467-F509 HydrophobicContact CB-CZ 4Å; P467-F509 HydrophobicContact CG-CD1 3.84Å; P467-F509 HydrophobicContact CG-CE1 3.46Å; P467-F509 VanDerWaalsContact CG-CE1 3.46Å; P467-F509 HydrophobicContact CG-CZ 3.85Å; D506-F509 HydrophobicContact CB-CB 4.15Å; D506-F509 PolarHBondContact O-N 3.22Å; F509-A511 VanDerWaalsContact C-N 3.27Å; F509-A511 PolarHBondContact O-N 3Å; F509-E512 CarbonylContact O-C 3.4Å; F509-E512 PolarHBondContact O-N 3.38Å; F509-P513 HydrophobicContact CD1-CB 4.42Å; F509-P513 HydrophobicContact CE1-CB 3.91Å; F509-P513 HydrophobicContact CE2-CB 4.5Å; F509-P513 HydrophobicContact CZ-CB 3.96Å; F509-P513 WeakPolarHBondContact O-CA 3.39Å; F509-P513 WeakPolarHBondContact O-CB 3.44Å; F509-P513 WeakPolarHBondContact O-CD 3.34Å; F509-N516 VanDerWaalsContact CE2-O 3.3Å; F509-N516 WeakPolarHBondContact CE2-O 3.19Å; F509-P518 HydrophobicContact CB-CG 4.45Å |
| 510 | V | 78.7 | Confident | 82.9 | Confident | 86 Ų | 86 | 64.3 Ų | 64.3 | 52% | 0.521 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64 | -33.9 | 176.2 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | S504 D506 D507 E508 | S504-V510 WeakPolarHBondContact O-CG2 3.17Å; D506-V510 WeakPolarHBondContact O-CB 3.16Å; D506-V510 VanDerWaalsContact O-CG2 3.23Å; D506-V510 WeakPolarHBondContact O-CG2 3.33Å; D506-V510 PolarHBondContact O-N 3.17Å; D507-V510 PolarHBondContact O-N 3.13Å; E508-V510 VanDerWaalsContact C-N 3.3Å; E508-V510 PolarHBondContact O-N 2.87Å |
| 511 | A | 76.7 | Confident | 82.7 | Confident | 69 Ų | 69 | 63.6 Ų | 63.6 | 57% | 0.57 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68.6 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | D507 E508 F509 | D507-A511 PolarHBondContact O-N 2.88Å; E508-A511 WeakPolarHBondContact O-CB 3.31Å; E508-A511 PolarHBondContact O-N 3.16Å; F509-A511 VanDerWaalsContact C-N 3.27Å; F509-A511 PolarHBondContact O-N 3Å |
| 512 | E | 82.8 | Confident | 82.5 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -137 | 65.2 | -176.3 | -72.6 | -170.7 | 177.3 | 0 | 0 | 113.2 | E508 F509 M514 Y515 N516 | E508-E512 PolarHBondContact O-N 2.78Å; F509-E512 CarbonylContact O-C 3.4Å; F509-E512 PolarHBondContact O-N 3.38Å; E512-M514 PolarHBondContact O-N 3.34Å; E512-M514 VanDerWaalsContact O-N 3.07Å; E512-Y515 PolarHBondContact O-N 3.36Å; E512-N516 WeakPolarHBondContact CB-ND2 3.5Å; E512-N516 WeakPolarHBondContact O-CB 3.48Å; E512-N516 PolarHBondContact O-N 2.74Å; E512-N516 PolarHBondContact OE2-ND2 3.22Å |
| 513 | P | 76.1 | Confident | 82.1 | Confident | 46 Ų | 46 | 69.2 Ų | 69.2 | 30% | 0.299 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -13.6 | -170 | 26.9 | -35.8 | 0 | 0 | 0 | 113.9 | L466 R474 F509 | L466-P513 HydrophobicContact CD2-CB 3.75Å; R474-P513 VanDerWaalsContact CZ-O 3.25Å; R474-P513 PolarHBondContact NH1-O 2.8Å; F509-P513 HydrophobicContact CD1-CB 4.42Å; F509-P513 HydrophobicContact CE1-CB 3.91Å; F509-P513 HydrophobicContact CE2-CB 4.5Å; F509-P513 HydrophobicContact CZ-CB 3.96Å; F509-P513 WeakPolarHBondContact O-CA 3.39Å; F509-P513 WeakPolarHBondContact O-CB 3.44Å; F509-P513 WeakPolarHBondContact O-CD 3.34Å |
| 514 | M | 73.1 | Confident | 81.5 | Confident | 68 Ų | 68 | 78.1 Ų | 78.1 | 34% | 0.335 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -35.5 | -176.7 | -163.5 | 65.1 | 92.2 | 0 | 0 | 112.4 | R474 D475 E512 | R474-M514 HydrophobicContact CB-SD 3.77Å; R474-M514 PolarHBondContact NH1-O 2.92Å; D475-M514 WeakPolarHBondContact OD1-CE 3.47Å; E512-M514 PolarHBondContact O-N 3.34Å; E512-M514 VanDerWaalsContact O-N 3.07Å |
| 515 | Y | 70.6 | Confident | 81 | Confident | 174 Ų | 174 | 81.1 Ų | 81.1 | 68% | 0.682 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -18.3 | -170.9 | -58.9 | -66.8 | 0 | 0 | 0 | 113.8 | E512 | E512-Y515 PolarHBondContact O-N 3.36Š|
| 516 | N | 76.9 | Confident | 80.5 | Confident | 44 Ų | 44 | 74.3 Ų | 74.3 | 24% | 0.235 | 36% | 0.362 | C | S | . | . | trans | -108.5 | 163.5 | -167.5 | -61.6 | -19.4 | 0 | 0 | 0 | 112.5 | R474 F509 E512 | R474-N516 PolarHBondContact NH1-O 3.47Å; R474-N516 PolarHBondContact NH2-O 2.99Å; R474-N516 VanDerWaalsContact NH2-O 3.13Å; F509-N516 VanDerWaalsContact CE2-O 3.3Å; F509-N516 WeakPolarHBondContact CE2-O 3.19Å; E512-N516 WeakPolarHBondContact CB-ND2 3.5Å; E512-N516 WeakPolarHBondContact O-CB 3.48Å; E512-N516 PolarHBondContact O-N 2.74Å; E512-N516 PolarHBondContact OE2-ND2 3.22Å | ||
| 517 | H | 85.7 | Confident | 79.9 | Confident | 63 Ų | 63 | 78.4 Ų | 78.4 | 29% | 0.292 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -101.8 | 166.5 | 158.3 | 56 | 70.3 | 0 | 0 | 0 | 108.2 | W551 | H517-W551 HydrophobicContact CB-CD2 3.7Å; H517-W551 HydrophobicContact CB-CE3 3.83Å; H517-W551 HydrophobicContact CB-CG 4.09Å; H517-W551 HydrophobicContact CB-CH2 4.27Å; H517-W551 HydrophobicContact CB-CZ2 4.19Å; H517-W551 HydrophobicContact CB-CZ3 4.11Å; H517-W551 AromaticContact CD2-CD2 3.99Å; H517-W551 AromaticContact CD2-CE3 3.62Å; H517-W551 AromaticContact CE1-CE3 3.67Å; H517-W551 AromaticContact CE1-CZ3 3.77Å; H517-W551 AromaticContact CG-CD2 3.68Å; H517-W551 AromaticContact CG-CE3 3.32Å; H517-W551 AromaticContact CG-CZ3 3.66Å; H517-W551 AromaticContact ND1-CE3 3.37Å; H517-W551 AromaticContact ND1-CZ3 3.27Å; H517-W551 VanDerWaalsContact ND1-CZ3 3.27Å; H517-W551 WeakPolarHBondContact ND1-CZ3 3.49Å; H517-W551 AromaticContact NE2-CE3 3.83Å |
| 518 | P | 87 | Confident | 79 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 151.3 | 172.8 | -24.7 | 34.5 | 0 | 0 | 0 | 113.1 | P467 W495 P503 D506 F509 | P467-P518 HydrophobicContact CB-CG 4.36Å; W495-P518 HydrophobicContact CD2-CB 3.91Å; W495-P518 HydrophobicContact CD2-CG 4.41Å; W495-P518 HydrophobicContact CG-CB 4.16Å; W495-P518 HydrophobicContact CZ2-CB 3.92Å; P503-P518 HydrophobicContact CB-CG 3.98Å; D506-P518 HydrophobicContact CB-CB 4.13Å; D506-P518 WeakPolarHBondContact OD1-CA 3.47Å; F509-P518 HydrophobicContact CB-CG 4.45Å |
| 519 | E | 86.5 | Confident | 78.1 | Confident | 118 Ų | 118 | 72.2 Ų | 72.2 | 55% | 0.551 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 135.6 | 179.1 | -169.7 | -170 | 175.6 | 0 | 0 | 110.7 | W495 D506 E508 | W495-E519 PolarHBondContact NE1-O 3.27Å; D506-E519 PolarHBondContact OD1-N 3.06Å; E508-E519 HydrophobicContact CB-CB 4.25Å |
| 520 | L | 88.9 | Confident | 76.7 | Confident | 48 Ų | 48 | 76.7 Ų | 76.7 | 25% | 0.251 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 133.7 | 179.9 | -63.6 | 171.5 | 0 | 0 | 0 | 111.3 | T522 M547 E548 W551 | L520-T522 PolarHBondContact O-N 3.07Å; L520-M547 HydrophobicContact CD2-CE 3.28Å; L520-E548 HydrophobicContact CD1-CG 3.99Å; L520-E548 WeakPolarHBondContact CD1-OE1 3.49Å; L520-E548 HydrophobicContact CD2-CG 3.59Å; L520-E548 HydrophobicContact CG-CG 4.36Å; L520-W551 HydrophobicContact CD2-CZ3 3.87Å |
| 521 | P | 85.5 | Confident | 75.6 | Confident | 3 Ų | 3 | 81 Ų | 81 | 2% | 0.019 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 136.4 | 178.8 | -11.5 | 23.1 | 0 | 0 | 0 | 109.2 | W495 A498 R525 F526 F540 N544 M547 | W495-P521 HydrophobicContact CG-CG 4.35Å; A498-P521 HydrophobicContact CB-CB 4.35Å; A498-P521 HydrophobicContact CB-CG 3.9Å; P521-R525 HydrophobicContact CB-CB 4.43Å; P521-F526 HydrophobicContact CB-CE2 3.94Å; P521-F526 HydrophobicContact CG-CE2 4.49Å; P521-F540 WeakPolarHBondContact O-CE2 3.36Å; P521-F540 WeakPolarHBondContact O-CZ 3.46Å; P521-N544 PolarHBondContact O-ND2 3.36Å; P521-M547 HydrophobicContact CG-CE 4.24Å |
| 522 | T | 85.2 | Confident | 74.5 | Confident | 70 Ų | 70 | 79.3 Ų | 79.3 | 43% | 0.429 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 156.5 | 178.8 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | L520 R524 R525 | L520-T522 PolarHBondContact O-N 3.07Å; T522-R524 PolarHBondContact O-N 2.97Å; T522-R524 VanDerWaalsContact O-N 3.08Å; T522-R525 WeakPolarHBondContact O-CB 3.38Å; T522-R525 PolarHBondContact O-N 3.5Å |
| 523 | K | 83 | Confident | 73.1 | Confident | 121 Ų | 121 | 75.2 Ų | 75.2 | 53% | 0.526 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -51.7 | -35.5 | 175.8 | -175.8 | 174.8 | 175.2 | 178.8 | 0 | 112.6 | R525 F526 E527 F540 | K523-R525 VanDerWaalsContact C-N 3.32Å; K523-R525 PolarHBondContact O-N 3.06Å; K523-F526 WeakPolarHBondContact O-CB 3.33Å; K523-F526 PolarHBondContact O-N 3.24Å; K523-F526 VanDerWaalsContact O-N 3.11Å; K523-E527 WeakPolarHBondContact CE-OE1 3.32Å; K523-E527 IonicContact NZ-OE1 3.39Å; K523-E527 PolarHBondContact O-N 2.79Å; K523-F540 HydrophobicContact CB-CD1 4.39Å; K523-F540 HydrophobicContact CB-CD2 4.23Å; K523-F540 HydrophobicContact CB-CE1 4.34Å; K523-F540 HydrophobicContact CB-CE2 4.16Å; K523-F540 HydrophobicContact CB-CG 4.34Å; K523-F540 HydrophobicContact CB-CZ 4.22Å; K523-F540 VanDerWaalsContact N-CE2 3.28Å |
| 524 | R | 78.5 | Confident | 72 | Confident | 188 Ų | 188 | 78.6 Ų | 78.6 | 71% | 0.709 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57.7 | -41.3 | 175.1 | -175.1 | 177.1 | -180 | -169.8 | 0.7 | 112.4 | T522 F526 E527 T528 | T522-R524 PolarHBondContact O-N 2.97Å; T522-R524 VanDerWaalsContact O-N 3.08Å; R524-F526 PolarHBondContact O-N 3.44Å; R524-E527 CarbonylContact O-C 3.57Å; R524-E527 PolarHBondContact O-N 3.09Å; R524-T528 HydrophobicContact CG-CG2 3.58Å; R524-T528 WeakPolarHBondContact O-CB 3.11Å; R524-T528 VanDerWaalsContact O-CG2 3.3Å; R524-T528 WeakPolarHBondContact O-CG2 3.44Å; R524-T528 PolarHBondContact O-N 3.3Å; R524-T528 PolarHBondContact O-OG1 3.07Å |
| 525 | R | 76.2 | Confident | 71.1 | Confident | 94 Ų | 94 | 76.2 Ų | 76.2 | 36% | 0.355 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.8 | -30.2 | 178.4 | -73.6 | -167.8 | 176.5 | -178.2 | -0.1 | 112.5 | P521 T522 K523 E527 | P521-R525 HydrophobicContact CB-CB 4.43Å; T522-R525 WeakPolarHBondContact O-CB 3.38Å; T522-R525 PolarHBondContact O-N 3.5Å; K523-R525 VanDerWaalsContact C-N 3.32Å; K523-R525 PolarHBondContact O-N 3.06Å; R525-E527 VanDerWaalsContact C-N 3.32Å |
| 526 | F | 77.9 | Confident | 71.1 | Confident | 3 Ų | 3 | 72.6 Ų | 72.6 | 1% | 0.013 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72.6 | -27.7 | 173.9 | -73.8 | -115.6 | 0 | 0 | 0 | 112.6 | W397 A498 P521 K523 R524 V537 P538 F540 Y543 | W397-F526 AromaticContact CE2-CD1 3.87Å; W397-F526 AromaticContact CH2-CD1 3.32Å; W397-F526 HydrophobicContact CH2-CD1 3.32Å; W397-F526 AromaticContact CH2-CE1 3.25Å; W397-F526 HydrophobicContact CH2-CE1 3.25Å; W397-F526 HydrophobicContact CH2-CG 4.06Å; W397-F526 AromaticContact CH2-CZ 3.96Å; W397-F526 HydrophobicContact CH2-CZ 3.96Å; W397-F526 HydrophobicContact CZ2-CB 4.01Å; W397-F526 AromaticContact CZ2-CD1 3.15Å; W397-F526 HydrophobicContact CZ2-CD1 3.15Å; W397-F526 HydrophobicContact CZ2-CD2 4.46Å; W397-F526 AromaticContact CZ2-CE1 3.66Å; W397-F526 HydrophobicContact CZ2-CE1 3.66Å; W397-F526 AromaticContact CZ2-CG 3.62Å; W397-F526 HydrophobicContact CZ2-CG 3.62Å; W397-F526 HydrophobicContact CZ2-CZ 4.49Å; W397-F526 HydrophobicContact CZ3-CD1 4.2Å; W397-F526 AromaticContact CZ3-CE1 3.94Å; W397-F526 HydrophobicContact CZ3-CE1 3.94Å; W397-F526 PolarHBondContact NE1-O 3.41Å; A498-F526 HydrophobicContact CB-CE2 4.2Å; A498-F526 HydrophobicContact CB-CZ 3.99Å; P521-F526 HydrophobicContact CB-CE2 3.94Å; P521-F526 HydrophobicContact CG-CE2 4.49Å; K523-F526 WeakPolarHBondContact O-CB 3.33Å; K523-F526 PolarHBondContact O-N 3.24Å; K523-F526 VanDerWaalsContact O-N 3.11Å; R524-F526 PolarHBondContact O-N 3.44Å; F526-V537 WeakPolarHBondContact O-CG1 3.5Å; F526-P538 HydrophobicContact CD1-CG 4.23Å; F526-P538 HydrophobicContact CE1-CG 4.12Å; F526-F540 HydrophobicContact CD1-CD2 4.39Å; F526-F540 AromaticContact CD2-CD2 3.6Å; F526-F540 HydrophobicContact CD2-CD2 3.6Å; F526-F540 AromaticContact CD2-CE2 3.8Å; F526-F540 HydrophobicContact CD2-CE2 3.8Å; F526-F540 HydrophobicContact CE1-CD2 4.35Å; F526-F540 AromaticContact CE2-CD2 3.52Å; F526-F540 HydrophobicContact CE2-CD2 3.52Å; F526-F540 AromaticContact CE2-CE2 3.59Å; F526-F540 HydrophobicContact CE2-CE2 3.59Å; F526-F540 HydrophobicContact CG-CD2 4.05Å; F526-F540 AromaticContact CZ-CD2 3.93Å; F526-F540 HydrophobicContact CZ-CD2 3.93Å; F526-F540 HydrophobicContact CZ-CE2 4.32Å; F526-Y543 HydrophobicContact CE1-CD1 4.01Å; F526-Y543 AromaticContact CE1-CG 4Å; F526-Y543 HydrophobicContact CE1-CG 4Å; F526-Y543 AromaticContact CZ-CD1 3.64Å; F526-Y543 HydrophobicContact CZ-CD1 3.64Å; F526-Y543 HydrophobicContact CZ-CE1 4.19Å; F526-Y543 HydrophobicContact CZ-CG 4.08Å |
| 527 | E | 71.4 | Confident | 71.2 | Confident | 97 Ų | 97 | 73.4 Ų | 73.4 | 45% | 0.453 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -98.7 | -16.4 | -175.7 | -67.6 | 175 | 173 | 0 | 0 | 113.6 | K523 R524 R525 V530 | K523-E527 WeakPolarHBondContact CE-OE1 3.32Å; K523-E527 IonicContact NZ-OE1 3.39Å; K523-E527 PolarHBondContact O-N 2.79Å; R524-E527 CarbonylContact O-C 3.57Å; R524-E527 PolarHBondContact O-N 3.09Å; R525-E527 VanDerWaalsContact C-N 3.32Å; E527-V530 WeakPolarHBondContact O-CG2 3.29Å |
| 528 | T | 58.8 | Low | 71.2 | Confident | 83 Ų | 83 | 70.5 Ų | 70.5 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -83.5 | -17 | -170.7 | 40.2 | 0 | 0 | 0 | 0 | 115.6 | R524 V530 | R524-T528 HydrophobicContact CG-CG2 3.58Å; R524-T528 WeakPolarHBondContact O-CB 3.11Å; R524-T528 VanDerWaalsContact O-CG2 3.3Å; R524-T528 WeakPolarHBondContact O-CG2 3.44Å; R524-T528 PolarHBondContact O-N 3.3Å; R524-T528 PolarHBondContact O-OG1 3.07Å; T528-V530 PolarHBondContact O-N 3.32Å |
| 529 | D | 59.3 | Low | 71.3 | Confident | 30 Ų | 30 | 73.4 Ų | 73.4 | 16% | 0.16 | 37% | 0.37 | C | S | . | . | trans | -84.4 | 29 | -177.7 | -149 | 4.2 | 0 | 0 | 0 | 112.2 | R400 R500 K531 Y532 E533 | R400-D529 IonicContact CZ-OD2 2.8Å; R400-D529 IonicContact NH2-OD2 2.93Å; R400-D529 PolarHBondContact NH2-OD2 2.88Å; R500-D529 WeakPolarHBondContact CD-OD2 3.3Å; R500-D529 IonicContact CZ-OD2 3.28Å; R500-D529 IonicContact NE-OD2 3.25Å; R500-D529 IonicContact NH1-OD2 2.99Å; R500-D529 PolarHBondContact NH1-OD2 3.45Å; R500-D529 VanDerWaalsContact NH1-OD2 3.1Å; D529-K531 PolarHBondContact O-N 3.36Å; D529-Y532 PolarHBondContact O-N 3.35Å; D529-E533 HydrophobicContact CB-CG 4.41Å; D529-E533 WeakPolarHBondContact O-CG 3.47Å; D529-E533 PolarHBondContact O-N 3.19Å | ||
| 530 | V | 52.8 | Low | 71.4 | Confident | 101 Ų | 101 | 70.6 Ų | 70.6 | 61% | 0.612 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -16.5 | -176.2 | -157.4 | 0 | 0 | 0 | 0 | 113.3 | E527 T528 Y532 | E527-V530 WeakPolarHBondContact O-CG2 3.29Å; T528-V530 PolarHBondContact O-N 3.32Å; V530-Y532 PolarHBondContact O-N 3.41Å |
| 531 | K | 55 | Low | 71.5 | Confident | 176 Ų | 176 | 75.2 Ų | 75.2 | 77% | 0.765 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -28.8 | 177.8 | -90.1 | -174.6 | 177.1 | 174.2 | 0 | 111.7 | D529 | D529-K531 PolarHBondContact O-N 3.36Š|
| 532 | Y | 52.6 | Low | 71.8 | Confident | 33 Ų | 33 | 78.1 Ų | 78.1 | 13% | 0.129 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | -11.7 | -173.7 | -55.8 | -46.8 | 0 | 0 | 0 | 114.4 | D391 P394 D529 V530 V534 C590 I594 | D391-Y532 WeakPolarHBondContact O-CE2 3.49Å; P394-Y532 VanDerWaalsContact CB-CB 3.47Å; P394-Y532 HydrophobicContact CB-CD1 4.13Å; P394-Y532 HydrophobicContact CB-CD2 4.34Å; P394-Y532 HydrophobicContact CB-CG 3.68Å; D529-Y532 PolarHBondContact O-N 3.35Å; V530-Y532 PolarHBondContact O-N 3.41Å; Y532-V534 PolarHBondContact O-N 3.17Å; Y532-C590 PolarHBondContact O-SG 3.01Å; Y532-C590 VanDerWaalsContact O-SG 3.38Å; Y532-I594 HydrophobicContact CD1-CD1 3.18Å; Y532-I594 HydrophobicContact CD1-CG1 3.51Å; Y532-I594 HydrophobicContact CE1-CB 4.41Å; Y532-I594 HydrophobicContact CE1-CD1 3.08Å; Y532-I594 HydrophobicContact CE1-CG1 3.31Å; Y532-I594 HydrophobicContact CE1-CG2 4.24Å; Y532-I594 HydrophobicContact CG-CD1 4.19Å |
| 533 | E | 53.6 | Low | 72.3 | Confident | 20 Ų | 20 | 74.8 Ų | 74.8 | 9% | 0.093 | 37% | 0.37 | C | S | . | . | trans | -81.8 | 82.5 | -179.5 | -71.4 | -178.1 | 173.7 | 0 | 0 | 111.9 | W397 R400 D529 T535 | W397-E533 PolarHBondContact NE1-OE1 2.88Å; W397-E533 PolarHBondContact NE1-OE2 2.99Å; R400-E533 IonicContact CZ-OE1 2.87Å; R400-E533 IonicContact NE-OE1 3.42Å; R400-E533 IonicContact NH1-OE1 3.77Å; R400-E533 PolarHBondContact NH1-OE1 3.2Å; R400-E533 IonicContact NH2-OE1 2.7Å; R400-E533 PolarHBondContact NH2-OE1 3.36Å; D529-E533 HydrophobicContact CB-CG 4.41Å; D529-E533 WeakPolarHBondContact O-CG 3.47Å; D529-E533 PolarHBondContact O-N 3.19Å; E533-T535 PolarHBondContact O-N 3.01Å; E533-T535 VanDerWaalsContact O-N 3.1Å | ||
| 534 | V | 52.6 | Low | 72.8 | Confident | 117 Ų | 117 | 69.5 Ų | 69.5 | 71% | 0.709 | 35% | 0.347 | S | S | * | . | trans | -75.8 | 15.3 | 170.2 | -165.6 | 0 | 0 | 0 | 0 | 111.4 | Y532 | Y532-V534 PolarHBondContact O-N 3.17Š| ||
| 535 | T | 55.8 | Low | 73.6 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 10% | 0.104 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -128 | 143.6 | -168.2 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | W397 E533 V537 | W397-T535 PolarHBondContact N-OG1 3.23Å; E533-T535 PolarHBondContact O-N 3.01Å; E533-T535 VanDerWaalsContact O-N 3.1Å; T535-V537 PolarHBondContact O-N 3.37Å |
| 536 | T | 70.3 | Confident | 74.5 | Confident | 99 Ų | 99 | 60.1 Ų | 60.1 | 61% | 0.607 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -48.5 | 131.2 | 167 | 37.2 | 0 | 0 | 0 | 0 | 110.8 | P572 | T536-P572 WeakPolarHBondContact O-CG 3.08Å; T536-P572 VanDerWaalsContact OG1-CB 3.26Å; T536-P572 WeakPolarHBondContact OG1-CB 3.25Å |
| 537 | V | 78.6 | Confident | 75.3 | Confident | 60 Ų | 60 | 60 Ų | 60 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 150 | 172.7 | -61.4 | 0 | 0 | 0 | 0 | 110 | F526 T535 | F526-V537 WeakPolarHBondContact O-CG1 3.5Å; T535-V537 PolarHBondContact O-N 3.37Å |
| 538 | P | 86 | Confident | 76.5 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.013 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 159.4 | 171.7 | 30.2 | -36.1 | 0 | 0 | 0 | 110.6 | W397 I401 F526 F540 Y543 I570 | W397-P538 HydrophobicContact CD2-CG 3.87Å; W397-P538 HydrophobicContact CE3-CG 3.55Å; W397-P538 HydrophobicContact CG-CG 4.41Å; W397-P538 HydrophobicContact CH2-CG 4.46Å; W397-P538 HydrophobicContact CZ3-CG 3.87Å; I401-P538 HydrophobicContact CD1-CB 3.78Å; I401-P538 HydrophobicContact CD1-CG 4.04Å; F526-P538 HydrophobicContact CD1-CG 4.23Å; F526-P538 HydrophobicContact CE1-CG 4.12Å; P538-F540 PolarHBondContact O-N 3.5Å; P538-Y543 HydrophobicContact CG-CD2 4.31Å; P538-I570 HydrophobicContact CB-CB 4.46Å; P538-I570 WeakPolarHBondContact CB-O 3.28Å |
| 539 | P | 88.9 | Confident | 78.2 | Confident | 62 Ų | 62 | 56.5 Ų | 56.5 | 40% | 0.403 | 30% | 0.298 | S | S | . | . | trans | -56.7 | 108.8 | 171.5 | -21.3 | 32.2 | 0 | 0 | 0 | 110.2 | E541 E542 Y543 | P539-E541 VanDerWaalsContact C-N 3.32Å; P539-E541 PolarHBondContact O-N 2.92Å; P539-E542 HydrophobicContact CB-CB 4.09Å; P539-E542 HydrophobicContact CB-CG 3.96Å; P539-E542 PolarHBondContact O-N 2.99Å; P539-E542 VanDerWaalsContact O-N 3.14Å; P539-Y543 PolarHBondContact O-N 3.38Å | ||
| 540 | F | 88.7 | Confident | 80 | Confident | 58 Ų | 58 | 55 Ų | 55 | 25% | 0.254 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -50.7 | -49.4 | -173.9 | 169.5 | -104.2 | 0 | 0 | 0 | 112.7 | P521 K523 F526 P538 Y543 N544 | P521-F540 WeakPolarHBondContact O-CE2 3.36Å; P521-F540 WeakPolarHBondContact O-CZ 3.46Å; K523-F540 HydrophobicContact CB-CD1 4.39Å; K523-F540 HydrophobicContact CB-CD2 4.23Å; K523-F540 HydrophobicContact CB-CE1 4.34Å; K523-F540 HydrophobicContact CB-CE2 4.16Å; K523-F540 HydrophobicContact CB-CG 4.34Å; K523-F540 HydrophobicContact CB-CZ 4.22Å; K523-F540 VanDerWaalsContact N-CE2 3.28Å; F526-F540 HydrophobicContact CD1-CD2 4.39Å; F526-F540 AromaticContact CD2-CD2 3.6Å; F526-F540 HydrophobicContact CD2-CD2 3.6Å; F526-F540 AromaticContact CD2-CE2 3.8Å; F526-F540 HydrophobicContact CD2-CE2 3.8Å; F526-F540 HydrophobicContact CE1-CD2 4.35Å; F526-F540 AromaticContact CE2-CD2 3.52Å; F526-F540 HydrophobicContact CE2-CD2 3.52Å; F526-F540 AromaticContact CE2-CE2 3.59Å; F526-F540 HydrophobicContact CE2-CE2 3.59Å; F526-F540 HydrophobicContact CG-CD2 4.05Å; F526-F540 AromaticContact CZ-CD2 3.93Å; F526-F540 HydrophobicContact CZ-CD2 3.93Å; F526-F540 HydrophobicContact CZ-CE2 4.32Å; P538-F540 PolarHBondContact O-N 3.5Å; F540-Y543 PolarHBondContact O-N 3.49Å; F540-N544 WeakPolarHBondContact CE2-ND2 3.41Å; F540-N544 WeakPolarHBondContact CZ-ND2 3.45Å; F540-N544 PolarHBondContact O-N 2.98Å |
| 541 | E | 91.2 | Very high | 82 | Confident | 145 Ų | 145 | 51.1 Ų | 51.1 | 68% | 0.678 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.8 | -42.2 | -179.1 | -65 | 178.9 | -179 | 0 | 0 | 111.8 | P539 Y543 N544 N545 | P539-E541 VanDerWaalsContact C-N 3.32Å; P539-E541 PolarHBondContact O-N 2.92Å; E541-Y543 VanDerWaalsContact C-N 3.34Å; E541-Y543 PolarHBondContact O-N 3.09Å; E541-N544 PolarHBondContact O-N 3.33Å; E541-N545 VanDerWaalsContact O-CB 3.28Å; E541-N545 WeakPolarHBondContact O-CB 3.49Å; E541-N545 PolarHBondContact O-N 3.04Å; E541-N545 PolarHBondContact O-ND2 2.7Å; E541-N545 PolarHBondContact O-OD1 2.95Å |
| 542 | E | 92.5 | Very high | 83.8 | Confident | 65 Ų | 65 | 44.8 Ų | 44.8 | 30% | 0.304 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.4 | -37.1 | 178.7 | -60.6 | -171 | -140.7 | 0 | 0 | 112 | P539 L546 K569 I570 | P539-E542 HydrophobicContact CB-CB 4.09Å; P539-E542 HydrophobicContact CB-CG 3.96Å; P539-E542 PolarHBondContact O-N 2.99Å; P539-E542 VanDerWaalsContact O-N 3.14Å; E542-L546 PolarHBondContact O-N 3.1Å; E542-K569 IonicContact OE1-NZ 3.34Å; E542-K569 IonicContact OE2-NZ 3.75Å; E542-K569 PolarHBondContact OE2-NZ 3.11Å; E542-I570 HydrophobicContact CB-CG2 3.67Å |
| 543 | Y | 93.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -48.3 | 175.7 | -170.3 | -81 | 0 | 0 | 0 | 111.5 | W397 L404 M494 A498 F526 P538 P539 F540 E541 L546 M547 I570 | W397-Y543 HydrophobicContact CZ3-CD2 4.41Å; W397-Y543 HydrophobicContact CZ3-CE2 4.02Å; L404-Y543 HydrophobicContact CD1-CE2 3.99Å; L404-Y543 WeakPolarHBondContact CD1-OH 3.14Å; M494-Y543 WeakPolarHBondContact CA-OH 3.38Å; M494-Y543 HydrophobicContact CB-CE1 4.27Å; M494-Y543 HydrophobicContact CE-CD1 4.29Å; M494-Y543 HydrophobicContact CE-CD2 4.32Å; M494-Y543 HydrophobicContact CE-CE1 3.96Å; M494-Y543 HydrophobicContact CE-CE2 3.97Å; M494-Y543 HydrophobicContact CE-CG 4.46Å; M494-Y543 PolarHBondContact O-OH 3.05Å; A498-Y543 HydrophobicContact CB-CE1 3.86Å; F526-Y543 HydrophobicContact CE1-CD1 4.01Å; F526-Y543 AromaticContact CE1-CG 4Å; F526-Y543 HydrophobicContact CE1-CG 4Å; F526-Y543 AromaticContact CZ-CD1 3.64Å; F526-Y543 HydrophobicContact CZ-CD1 3.64Å; F526-Y543 HydrophobicContact CZ-CE1 4.19Å; F526-Y543 HydrophobicContact CZ-CG 4.08Å; P538-Y543 HydrophobicContact CG-CD2 4.31Å; P539-Y543 PolarHBondContact O-N 3.38Å; F540-Y543 PolarHBondContact O-N 3.49Å; E541-Y543 VanDerWaalsContact C-N 3.34Å; E541-Y543 PolarHBondContact O-N 3.09Å; Y543-L546 PolarHBondContact O-N 3.16Å; Y543-M547 PolarHBondContact O-N 3.05Å; Y543-M547 VanDerWaalsContact O-N 3.12Å; Y543-I570 HydrophobicContact CD2-CD1 3.69Å; Y543-I570 HydrophobicContact CG-CD1 4.38Å |
| 544 | N | 93.9 | Very high | 87.4 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 5% | 0.053 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 179.5 | -79.9 | 2.4 | 0 | 0 | 0 | 111.7 | P521 F540 E541 L546 M547 E548 | P521-N544 PolarHBondContact O-ND2 3.36Å; F540-N544 WeakPolarHBondContact CE2-ND2 3.41Å; F540-N544 WeakPolarHBondContact CZ-ND2 3.45Å; F540-N544 PolarHBondContact O-N 2.98Å; E541-N544 PolarHBondContact O-N 3.33Å; N544-L546 VanDerWaalsContact C-N 3.27Å; N544-L546 PolarHBondContact O-N 2.91Å; N544-M547 WeakPolarHBondContact O-CB 3.22Å; N544-M547 PolarHBondContact O-N 3.24Å; N544-M547 VanDerWaalsContact O-N 3.1Å; N544-E548 WeakPolarHBondContact O-CG 3.45Å; N544-E548 PolarHBondContact O-N 3.46Å |
| 545 | N | 95.1 | Very high | 89.2 | Confident | 84 Ų | 84 | 52.2 Ų | 52.2 | 45% | 0.449 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.3 | -39.7 | 176.4 | -69.4 | -15.4 | 0 | 0 | 0 | 112 | E541 S549 W566 | E541-N545 VanDerWaalsContact O-CB 3.28Å; E541-N545 WeakPolarHBondContact O-CB 3.49Å; E541-N545 PolarHBondContact O-N 3.04Å; E541-N545 PolarHBondContact O-ND2 2.7Å; E541-N545 PolarHBondContact O-OD1 2.95Å; N545-S549 WeakPolarHBondContact O-CB 3.03Å; N545-S549 PolarHBondContact O-N 2.95Å; N545-W566 HydrophobicContact CB-CZ3 4.45Å |
| 546 | L | 95.8 | Very high | 91 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 175.7 | -177 | 55.1 | 0 | 0 | 0 | 111.5 | M494 E542 Y543 N544 S549 C550 I563 W566 L567 | M494-L546 HydrophobicContact CE-CB 4.09Å; M494-L546 HydrophobicContact CE-CD2 3.83Å; M494-L546 HydrophobicContact CE-CG 3.91Å; M494-L546 HydrophobicContact SD-CD2 4.31Å; M494-L546 HydrophobicContact SD-CG 4.18Å; E542-L546 PolarHBondContact O-N 3.1Å; Y543-L546 PolarHBondContact O-N 3.16Å; N544-L546 VanDerWaalsContact C-N 3.27Å; N544-L546 PolarHBondContact O-N 2.91Å; L546-S549 PolarHBondContact O-N 2.94Å; L546-S549 PolarHBondContact O-OG 3.24Å; L546-C550 PolarHBondContact O-N 2.92Å; L546-C550 VanDerWaalsContact O-N 3.1Å; L546-C550 PolarHBondContact O-SG 3.2Å; L546-I563 HydrophobicContact CD1-CG1 4.21Å; L546-I563 HydrophobicContact CD2-CG2 4.44Å; L546-W566 HydrophobicContact CB-CE3 3.7Å; L546-W566 HydrophobicContact CB-CZ3 3.98Å; L546-W566 HydrophobicContact CD1-CB 4.25Å; L546-W566 HydrophobicContact CD1-CD2 4.09Å; L546-W566 HydrophobicContact CD1-CE3 3.69Å; L546-W566 HydrophobicContact CD1-CG 4.39Å; L546-W566 HydrophobicContact CD1-CZ3 4.23Å; L546-W566 HydrophobicContact CD2-CB 3.86Å; L546-W566 HydrophobicContact CD2-CE3 4.35Å; L546-W566 HydrophobicContact CG-CE3 4.1Å; L546-L567 HydrophobicContact CD2-CD2 3.87Å; L546-L567 HydrophobicContact CD2-CG 4Å |
| 547 | M | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 179.9 | -177.3 | 175.9 | 63.8 | 0 | 0 | 111.7 | M494 W495 L520 P521 Y543 N544 S549 C550 W551 | M494-M547 HydrophobicContact CB-CB 4.43Å; M494-M547 HydrophobicContact CB-CG 4.14Å; M494-M547 HydrophobicContact CB-SD 4.18Å; M494-M547 HydrophobicContact CE-CB 4.1Å; M494-M547 HydrophobicContact SD-CB 4.39Å; W495-M547 WeakPolarHBondContact CA-SD 3.38Å; W495-M547 HydrophobicContact CB-SD 3.61Å; W495-M547 HydrophobicContact CG-SD 4.32Å; W495-M547 PolarHBondContact N-SD 3.4Å; W495-M547 VanDerWaalsContact N-SD 3.41Å; L520-M547 HydrophobicContact CD2-CE 3.28Å; P521-M547 HydrophobicContact CG-CE 4.24Å; Y543-M547 PolarHBondContact O-N 3.05Å; Y543-M547 VanDerWaalsContact O-N 3.12Å; N544-M547 WeakPolarHBondContact O-CB 3.22Å; N544-M547 PolarHBondContact O-N 3.24Å; N544-M547 VanDerWaalsContact O-N 3.1Å; M547-S549 VanDerWaalsContact C-N 3.32Å; M547-S549 PolarHBondContact O-N 3.14Å; M547-C550 WeakPolarHBondContact O-CB 3.35Å; M547-C550 PolarHBondContact O-N 3.37Å; M547-C550 VanDerWaalsContact O-N 3.08Å; M547-W551 HydrophobicContact CE-CH2 4.06Å; M547-W551 HydrophobicContact CE-CZ3 4Å; M547-W551 HydrophobicContact CG-CD2 4.41Å; M547-W551 HydrophobicContact CG-CE3 4.14Å; M547-W551 HydrophobicContact CG-CH2 3.74Å; M547-W551 HydrophobicContact CG-CZ2 3.99Å; M547-W551 HydrophobicContact CG-CZ3 3.81Å; M547-W551 PolarHBondContact O-N 3.17Å; M547-W551 HydrophobicContact SD-CH2 3.7Å; M547-W551 HydrophobicContact SD-CZ2 4.23Å; M547-W551 HydrophobicContact SD-CZ3 4.12Å |
| 548 | E | 94.6 | Very high | 93.1 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.6 | -41 | 172.9 | -72.9 | -177.2 | 129.9 | 0 | 0 | 112.2 | L520 N544 C550 W551 S552 | L520-E548 HydrophobicContact CD1-CG 3.99Å; L520-E548 WeakPolarHBondContact CD1-OE1 3.49Å; L520-E548 HydrophobicContact CD2-CG 3.59Å; L520-E548 HydrophobicContact CG-CG 4.36Å; N544-E548 WeakPolarHBondContact O-CG 3.45Å; N544-E548 PolarHBondContact O-N 3.46Å; E548-C550 PolarHBondContact O-N 3.21Å; E548-W551 CarbonylContact O-C 3.54Å; E548-W551 PolarHBondContact O-N 2.92Å; E548-S552 PolarHBondContact O-N 2.7Å; E548-S552 VanDerWaalsContact O-N 3.13Å; E548-S552 PolarHBondContact O-OG 3.13Å; E548-S552 VanDerWaalsContact O-OG 3.13Å |
| 549 | S | 96 | Very high | 93.5 | Very high | 27 Ų | 27 | 56.1 Ų | 56.1 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.4 | -31.4 | 176.4 | 77.9 | 0 | 0 | 0 | 0 | 112.1 | N545 L546 M547 W551 S552 R557 P558 | N545-S549 WeakPolarHBondContact O-CB 3.03Å; N545-S549 PolarHBondContact O-N 2.95Å; L546-S549 PolarHBondContact O-N 2.94Å; L546-S549 PolarHBondContact O-OG 3.24Å; M547-S549 VanDerWaalsContact C-N 3.32Å; M547-S549 PolarHBondContact O-N 3.14Å; S549-W551 VanDerWaalsContact C-N 3.32Å; S549-S552 WeakPolarHBondContact O-CB 3.3Å; S549-S552 PolarHBondContact O-N 3.48Å; S549-S552 PolarHBondContact O-OG 3.43Å; S549-R557 WeakPolarHBondContact O-CA 3.4Å; S549-P558 WeakPolarHBondContact O-CD 3.48Å; S549-P558 WeakPolarHBondContact OG-CG 3.26Å |
| 550 | C | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.8 | -28.9 | 174.9 | -64.2 | 0 | 0 | 0 | 0 | 112.9 | I487 Y488 L546 M547 E548 R557 | I487-C550 HydrophobicContact CG2-CB 4.06Å; I487-C550 WeakPolarHBondContact O-CB 3.47Å; Y488-C550 WeakPolarHBondContact CA-O 3.43Å; L546-C550 PolarHBondContact O-N 2.92Å; L546-C550 VanDerWaalsContact O-N 3.1Å; L546-C550 PolarHBondContact O-SG 3.2Å; M547-C550 WeakPolarHBondContact O-CB 3.35Å; M547-C550 PolarHBondContact O-N 3.37Å; M547-C550 VanDerWaalsContact O-N 3.08Å; E548-C550 PolarHBondContact O-N 3.21Å; C550-R557 VanDerWaalsContact O-CD 3.3Å; C550-R557 WeakPolarHBondContact O-CD 3.44Å; C550-R557 WeakPolarHBondContact O-CG 3.45Å; C550-R557 PolarHBondContact O-NE 2.99Å |
| 551 | W | 94.9 | Very high | 94 | Very high | 19 Ų | 19 | 55.9 Ų | 55.9 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -91.6 | 0.5 | 177.7 | -64.3 | -36.8 | 0 | 0 | 0 | 114.5 | Y488 T492 W495 H517 L520 M547 E548 S549 | Y488-W551 HydrophobicContact CD2-CB 4.25Å; Y488-W551 AromaticContact CD2-CD1 3.6Å; Y488-W551 HydrophobicContact CD2-CG 4.3Å; Y488-W551 HydrophobicContact CE2-CB 3.99Å; Y488-W551 AromaticContact CE2-CD1 3.5Å; Y488-W551 HydrophobicContact CE2-CG 4Å; Y488-W551 AromaticContact CG-CD1 3.93Å; Y488-W551 AromaticContact CZ-CD1 3.74Å; Y488-W551 PolarHBondContact O-NE1 2.71Å; T492-W551 PolarHBondContact OG1-NE1 3.41Å; W495-W551 HydrophobicContact CB-CH2 3.85Å; W495-W551 HydrophobicContact CB-CZ2 3.88Å; W495-W551 AromaticContact CD1-CH2 3.78Å; W495-W551 HydrophobicContact CG-CH2 4.1Å; W495-W551 HydrophobicContact CG-CZ2 4.48Å; H517-W551 HydrophobicContact CB-CD2 3.7Å; H517-W551 HydrophobicContact CB-CE3 3.83Å; H517-W551 HydrophobicContact CB-CG 4.09Å; H517-W551 HydrophobicContact CB-CH2 4.27Å; H517-W551 HydrophobicContact CB-CZ2 4.19Å; H517-W551 HydrophobicContact CB-CZ3 4.11Å; H517-W551 AromaticContact CD2-CD2 3.99Å; H517-W551 AromaticContact CD2-CE3 3.62Å; H517-W551 AromaticContact CE1-CE3 3.67Å; H517-W551 AromaticContact CE1-CZ3 3.77Å; H517-W551 AromaticContact CG-CD2 3.68Å; H517-W551 AromaticContact CG-CE3 3.32Å; H517-W551 AromaticContact CG-CZ3 3.66Å; H517-W551 AromaticContact ND1-CE3 3.37Å; H517-W551 AromaticContact ND1-CZ3 3.27Å; H517-W551 VanDerWaalsContact ND1-CZ3 3.27Å; H517-W551 WeakPolarHBondContact ND1-CZ3 3.49Å; H517-W551 AromaticContact NE2-CE3 3.83Å; L520-W551 HydrophobicContact CD2-CZ3 3.87Å; M547-W551 HydrophobicContact CE-CH2 4.06Å; M547-W551 HydrophobicContact CE-CZ3 4Å; M547-W551 HydrophobicContact CG-CD2 4.41Å; M547-W551 HydrophobicContact CG-CE3 4.14Å; M547-W551 HydrophobicContact CG-CH2 3.74Å; M547-W551 HydrophobicContact CG-CZ2 3.99Å; M547-W551 HydrophobicContact CG-CZ3 3.81Å; M547-W551 PolarHBondContact O-N 3.17Å; M547-W551 HydrophobicContact SD-CH2 3.7Å; M547-W551 HydrophobicContact SD-CZ2 4.23Å; M547-W551 HydrophobicContact SD-CZ3 4.12Å; E548-W551 CarbonylContact O-C 3.54Å; E548-W551 PolarHBondContact O-N 2.92Å; S549-W551 VanDerWaalsContact C-N 3.32Å |
| 552 | S | 93.7 | Very high | 94.2 | Very high | 42 Ų | 42 | 51 Ų | 51 | 29% | 0.294 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -64.5 | 172.7 | 178 | -66.5 | 0 | 0 | 0 | 0 | 112.8 | E548 S549 R557 | E548-S552 PolarHBondContact O-N 2.7Å; E548-S552 VanDerWaalsContact O-N 3.13Å; E548-S552 PolarHBondContact O-OG 3.13Å; E548-S552 VanDerWaalsContact O-OG 3.13Å; S549-S552 WeakPolarHBondContact O-CB 3.3Å; S549-S552 PolarHBondContact O-N 3.48Å; S549-S552 PolarHBondContact O-OG 3.43Å; S552-R557 WeakPolarHBondContact O-CG 3.09Å; S552-R557 PolarHBondContact O-NE 3.04Å; S552-R557 PolarHBondContact O-NH2 3.04Å |
| 553 | E | 89.7 | Confident | 94.4 | Very high | 139 Ų | 139 | 47.9 Ų | 47.9 | 65% | 0.65 | 26% | 0.26 | S | S | * | . | trans | -49.2 | 147.1 | 169.9 | -73.1 | -69.7 | 167.2 | 0 | 0 | 112 | T555 L556 R557 | E553-T555 PolarHBondContact O-N 3.37Å; E553-L556 HydrophobicContact CB-CD1 4.28Å; E553-L556 HydrophobicContact CB-CG 4.48Å; E553-L556 PolarHBondContact O-N 2.88Å; E553-R557 PolarHBondContact O-N 3.3Å | ||
| 554 | V | 90.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 49 Ų | 49 | 33% | 0.333 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -39 | -169.9 | 178 | 0 | 0 | 0 | 0 | 113.7 | E472 A484 | E472-V554 HydrophobicContact CG-CG2 4.01Å; E472-V554 VanDerWaalsContact OE1-CG2 3.26Å; E472-V554 WeakPolarHBondContact OE1-CG2 3.39Å; A484-V554 HydrophobicContact CB-CG1 3.82Å |
| 555 | T | 91 | Very high | 94.4 | Very high | 133 Ų | 133 | 54.9 Ų | 54.9 | 82% | 0.816 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -18 | -178.1 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | E553 | E553-T555 PolarHBondContact O-N 3.37Š|
| 556 | L | 94.6 | Very high | 94.3 | Very high | 124 Ų | 124 | 55.9 Ų | 55.9 | 65% | 0.649 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -14.1 | -178.3 | -63.8 | 178.2 | 0 | 0 | 0 | 112.8 | E553 | E553-L556 HydrophobicContact CB-CD1 4.28Å; E553-L556 HydrophobicContact CB-CG 4.48Å; E553-L556 PolarHBondContact O-N 2.88Å |
| 557 | R | 95.5 | Very high | 94.2 | Very high | 23 Ų | 23 | 55.8 Ų | 55.8 | 9% | 0.087 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -59.9 | 134.7 | 177.4 | -65 | -177.3 | -170.4 | 149.7 | 10.6 | 110.7 | E472 A484 I487 S549 C550 S552 E553 | E472-R557 VanDerWaalsContact CD-NH2 3.34Å; E472-R557 IonicContact OE1-CZ 2.9Å; E472-R557 VanDerWaalsContact OE1-CZ 3.25Å; E472-R557 IonicContact OE1-NH1 3.86Å; E472-R557 PolarHBondContact OE1-NH1 2.86Å; E472-R557 IonicContact OE1-NH2 3.5Å; E472-R557 PolarHBondContact OE1-NH2 3.18Å; E472-R557 IonicContact OE2-NH2 3.33Å; E472-R557 PolarHBondContact OE2-NH2 3.34Å; A484-R557 WeakPolarHBondContact O-CD 3.37Å; A484-R557 PolarHBondContact O-NH1 2.87Å; I487-R557 HydrophobicContact CB-CB 4.47Å; I487-R557 HydrophobicContact CG2-CB 4.02Å; S549-R557 WeakPolarHBondContact O-CA 3.4Å; C550-R557 VanDerWaalsContact O-CD 3.3Å; C550-R557 WeakPolarHBondContact O-CD 3.44Å; C550-R557 WeakPolarHBondContact O-CG 3.45Å; C550-R557 PolarHBondContact O-NE 2.99Å; S552-R557 WeakPolarHBondContact O-CG 3.09Å; S552-R557 PolarHBondContact O-NE 3.04Å; S552-R557 PolarHBondContact O-NH2 3.04Å; E553-R557 PolarHBondContact O-N 3.3Å |
| 558 | P | 96.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 58.3 Ų | 58.3 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 152.6 | 179.3 | 29.1 | -36.1 | 0 | 0 | 0 | 111.3 | I487 S549 T562 I563 | I487-P558 HydrophobicContact CG2-CG 4.46Å; S549-P558 WeakPolarHBondContact O-CD 3.48Å; S549-P558 WeakPolarHBondContact OG-CG 3.26Å; P558-T562 HydrophobicContact CB-CG2 4.36Å; P558-I563 HydrophobicContact CB-CG1 4.06Å; P558-I563 HydrophobicContact CG-CD1 4.01Å; P558-I563 HydrophobicContact CG-CG1 3.76Å |
| 559 | N | 93.8 | Very high | 93.6 | Very high | 91 Ų | 91 | 61.5 Ų | 61.5 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 160.6 | 168.4 | 69.7 | 66 | 0 | 0 | 0 | 110.6 | N561 T562 I563 | N559-N561 VanDerWaalsContact C-N 3.28Å; N559-N561 PolarHBondContact O-N 2.93Å; N559-N561 WeakPolarHBondContact OD1-CB 3.42Å; N559-N561 PolarHBondContact OD1-N 3.14Å; N559-T562 PolarHBondContact ND2-OG1 3.11Å; N559-T562 WeakPolarHBondContact O-CB 3.42Å; N559-T562 PolarHBondContact O-N 3.33Å; N559-T562 VanDerWaalsContact O-N 3.14Å; N559-T562 PolarHBondContact OD1-N 3.25Å; N559-T562 PolarHBondContact OD1-OG1 3.45Å; N559-I563 WeakPolarHBondContact O-CG1 3.38Å; N559-I563 PolarHBondContact O-N 3.08Å; N559-I563 VanDerWaalsContact O-N 3.09Å |
| 560 | L | 95.4 | Very high | 93.3 | Very high | 11 Ų | 11 | 60.4 Ų | 60.4 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.9 | -30.5 | -175.6 | -73.5 | 157.8 | 0 | 0 | 0 | 114.1 | A408 L411 A412 H415 I487 I563 I564 | A408-L560 HydrophobicContact CB-CD2 4.17Å; L411-L560 HydrophobicContact CB-CD1 3.58Å; L411-L560 HydrophobicContact CB-CD2 3.93Å; L411-L560 HydrophobicContact CB-CG 4.44Å; L411-L560 HydrophobicContact CD1-CD2 4.12Å; A412-L560 HydrophobicContact CB-CB 3.95Å; A412-L560 HydrophobicContact CB-CD1 4.15Å; H415-L560 VanDerWaalsContact ND1-CD1 3.27Å; H415-L560 WeakPolarHBondContact ND1-CD1 3.46Å; I487-L560 HydrophobicContact CD1-CD1 4.17Å; I487-L560 HydrophobicContact CD1-CD2 3.78Å; I487-L560 HydrophobicContact CD1-CG 3.61Å; L560-I563 HydrophobicContact CD2-CD1 4.22Å; L560-I563 PolarHBondContact O-N 3.26Å; L560-I564 WeakPolarHBondContact O-CB 3Å; L560-I564 WeakPolarHBondContact O-CD1 3.3Å; L560-I564 WeakPolarHBondContact O-CG1 3.4Å; L560-I564 PolarHBondContact O-N 3.34Å |
| 561 | N | 93.9 | Very high | 92.7 | Very high | 104 Ų | 104 | 61 Ų | 61 | 56% | 0.556 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.2 | -42.9 | 176.6 | -63.6 | -35.2 | 0 | 0 | 0 | 110.5 | N559 I563 I564 E565 | N559-N561 VanDerWaalsContact C-N 3.28Å; N559-N561 PolarHBondContact O-N 2.93Å; N559-N561 WeakPolarHBondContact OD1-CB 3.42Å; N559-N561 PolarHBondContact OD1-N 3.14Å; N561-I563 PolarHBondContact O-N 3.02Å; N561-I564 PolarHBondContact O-N 3.3Å; N561-E565 WeakPolarHBondContact O-CG 3.47Å; N561-E565 PolarHBondContact O-N 2.74Å |
| 562 | T | 95.3 | Very high | 91.6 | Very high | 42 Ų | 42 | 62.2 Ų | 62.2 | 26% | 0.258 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 174 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | P558 N559 E565 W566 | P558-T562 HydrophobicContact CB-CG2 4.36Å; N559-T562 PolarHBondContact ND2-OG1 3.11Å; N559-T562 WeakPolarHBondContact O-CB 3.42Å; N559-T562 PolarHBondContact O-N 3.33Å; N559-T562 VanDerWaalsContact O-N 3.14Å; N559-T562 PolarHBondContact OD1-N 3.25Å; N559-T562 PolarHBondContact OD1-OG1 3.45Å; T562-E565 PolarHBondContact O-N 3.06Å; T562-W566 PolarHBondContact O-N 3.32Å |
| 563 | I | 96.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 175.7 | -63.6 | 172 | 0 | 0 | 0 | 110.8 | A408 I487 F490 L546 P558 N559 L560 N561 E565 W566 L567 | A408-I563 HydrophobicContact CB-CG2 4.27Å; I487-I563 HydrophobicContact CD1-CD1 4.13Å; I487-I563 HydrophobicContact CG2-CD1 3.97Å; F490-I563 HydrophobicContact CD1-CD1 4.44Å; F490-I563 HydrophobicContact CD1-CG2 4.24Å; F490-I563 HydrophobicContact CE1-CG2 3.54Å; F490-I563 HydrophobicContact CZ-CG2 4.03Å; L546-I563 HydrophobicContact CD1-CG1 4.21Å; L546-I563 HydrophobicContact CD2-CG2 4.44Å; P558-I563 HydrophobicContact CB-CG1 4.06Å; P558-I563 HydrophobicContact CG-CD1 4.01Å; P558-I563 HydrophobicContact CG-CG1 3.76Å; N559-I563 WeakPolarHBondContact O-CG1 3.38Å; N559-I563 PolarHBondContact O-N 3.08Å; N559-I563 VanDerWaalsContact O-N 3.09Å; L560-I563 HydrophobicContact CD2-CD1 4.22Å; L560-I563 PolarHBondContact O-N 3.26Å; N561-I563 PolarHBondContact O-N 3.02Å; I563-E565 PolarHBondContact O-N 3.1Å; I563-W566 PolarHBondContact O-N 2.69Å; I563-L567 HydrophobicContact CG2-CD1 3.79Å; I563-L567 HydrophobicContact CG2-CG 4.19Å; I563-L567 WeakPolarHBondContact O-CB 3.37Å; I563-L567 VanDerWaalsContact O-CG 3.29Å; I563-L567 WeakPolarHBondContact O-CG 3.49Å; I563-L567 PolarHBondContact O-N 3.03Å |
| 564 | I | 94.3 | Very high | 88.9 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 13% | 0.128 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 179.3 | -69.3 | 159.7 | 0 | 0 | 0 | 110.9 | A408 A412 L560 N561 L567 T568 | A408-I564 HydrophobicContact CB-CD1 4.29Å; A408-I564 HydrophobicContact CB-CG1 3.59Å; A412-I564 HydrophobicContact CB-CD1 4.34Å; L560-I564 WeakPolarHBondContact O-CB 3Å; L560-I564 WeakPolarHBondContact O-CD1 3.3Å; L560-I564 WeakPolarHBondContact O-CG1 3.4Å; L560-I564 PolarHBondContact O-N 3.34Å; N561-I564 PolarHBondContact O-N 3.3Å; I564-L567 PolarHBondContact O-N 3.46Å; I564-T568 WeakPolarHBondContact O-CB 3.39Å; I564-T568 PolarHBondContact O-N 3.32Å; I564-T568 PolarHBondContact O-OG1 2.7Å |
| 565 | E | 92.7 | Very high | 87.2 | Confident | 132 Ų | 132 | 62.9 Ų | 62.9 | 62% | 0.617 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.8 | -46.1 | 176.5 | -74.5 | 172.7 | -176.4 | 0 | 0 | 111.7 | N561 T562 I563 T568 K569 | N561-E565 WeakPolarHBondContact O-CG 3.47Å; N561-E565 PolarHBondContact O-N 2.74Å; T562-E565 PolarHBondContact O-N 3.06Å; I563-E565 PolarHBondContact O-N 3.1Å; E565-T568 PolarHBondContact O-N 2.65Å; E565-K569 WeakPolarHBondContact O-CB 3.22Å; E565-K569 PolarHBondContact O-N 3.07Å |
| 566 | W | 94.2 | Very high | 85.1 | Confident | 105 Ų | 105 | 59.1 Ų | 59.1 | 40% | 0.398 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.8 | -47 | 178.5 | -80.6 | 41.8 | 0 | 0 | 0 | 112.4 | N545 L546 T562 I563 T568 K569 I570 | N545-W566 HydrophobicContact CB-CZ3 4.45Å; L546-W566 HydrophobicContact CB-CE3 3.7Å; L546-W566 HydrophobicContact CB-CZ3 3.98Å; L546-W566 HydrophobicContact CD1-CB 4.25Å; L546-W566 HydrophobicContact CD1-CD2 4.09Å; L546-W566 HydrophobicContact CD1-CE3 3.69Å; L546-W566 HydrophobicContact CD1-CG 4.39Å; L546-W566 HydrophobicContact CD1-CZ3 4.23Å; L546-W566 HydrophobicContact CD2-CB 3.86Å; L546-W566 HydrophobicContact CD2-CE3 4.35Å; L546-W566 HydrophobicContact CG-CE3 4.1Å; T562-W566 PolarHBondContact O-N 3.32Å; I563-W566 PolarHBondContact O-N 2.69Å; W566-T568 PolarHBondContact O-N 3.31Å; W566-K569 WeakPolarHBondContact O-CB 3.37Å; W566-K569 PolarHBondContact O-N 3.49Å; W566-K569 VanDerWaalsContact O-N 3.09Å; W566-I570 WeakPolarHBondContact O-CG1 3.36Å; W566-I570 PolarHBondContact O-N 3.41Å |
| 567 | L | 92.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.7 | -39.5 | 176.4 | -71.8 | 175.4 | 0 | 0 | 0 | 111.5 | I401 L404 A408 F490 M494 L546 I563 I564 I570 N571 | I401-L567 HydrophobicContact CG2-CB 4.29Å; I401-L567 HydrophobicContact CG2-CD2 4.42Å; I401-L567 WeakPolarHBondContact CG2-O 3.34Å; L404-L567 HydrophobicContact CB-CD1 3.85Å; L404-L567 HydrophobicContact CB-CD2 4.28Å; L404-L567 HydrophobicContact CD1-CD2 4.39Å; A408-L567 HydrophobicContact CB-CD1 4.48Å; F490-L567 HydrophobicContact CE1-CD1 4.24Å; F490-L567 HydrophobicContact CZ-CD1 3.86Å; M494-L567 HydrophobicContact CE-CD2 4.32Å; L546-L567 HydrophobicContact CD2-CD2 3.87Å; L546-L567 HydrophobicContact CD2-CG 4Å; I563-L567 HydrophobicContact CG2-CD1 3.79Å; I563-L567 HydrophobicContact CG2-CG 4.19Å; I563-L567 WeakPolarHBondContact O-CB 3.37Å; I563-L567 VanDerWaalsContact O-CG 3.29Å; I563-L567 WeakPolarHBondContact O-CG 3.49Å; I563-L567 PolarHBondContact O-N 3.03Å; I564-L567 PolarHBondContact O-N 3.46Å; L567-I570 HydrophobicContact CD2-CD1 4.16Å; L567-N571 VanDerWaalsContact O-CB 3.3Å; L567-N571 WeakPolarHBondContact O-CB 3.33Å; L567-N571 PolarHBondContact O-N 3.05Å |
| 568 | T | 88.9 | Confident | 80.8 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 176 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | I564 E565 W566 N574 | I564-T568 WeakPolarHBondContact O-CB 3.39Å; I564-T568 PolarHBondContact O-N 3.32Å; I564-T568 PolarHBondContact O-OG1 2.7Å; E565-T568 PolarHBondContact O-N 2.65Å; W566-T568 PolarHBondContact O-N 3.31Å; T568-N574 WeakPolarHBondContact CG2-OD1 3.41Å |
| 569 | K | 90.1 | Very high | 78.9 | Confident | 146 Ų | 146 | 65.3 Ų | 65.3 | 64% | 0.635 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.7 | -45.1 | 178.1 | -176 | -169.1 | 173.6 | -133.8 | 0 | 112.8 | E542 E565 W566 N571 | E542-K569 IonicContact OE1-NZ 3.34Å; E542-K569 IonicContact OE2-NZ 3.75Å; E542-K569 PolarHBondContact OE2-NZ 3.11Å; E565-K569 WeakPolarHBondContact O-CB 3.22Å; E565-K569 PolarHBondContact O-N 3.07Å; W566-K569 WeakPolarHBondContact O-CB 3.37Å; W566-K569 PolarHBondContact O-N 3.49Å; W566-K569 VanDerWaalsContact O-N 3.09Å; K569-N571 VanDerWaalsContact C-N 3.3Å |
| 570 | I | 89.7 | Confident | 77 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -81.2 | -11.4 | -178.2 | 70.4 | 179.8 | 0 | 0 | 0 | 112.8 | I401 P538 E542 Y543 W566 L567 P572 | I401-I570 HydrophobicContact CD1-CG1 4.29Å; P538-I570 HydrophobicContact CB-CB 4.46Å; P538-I570 WeakPolarHBondContact CB-O 3.28Å; E542-I570 HydrophobicContact CB-CG2 3.67Å; Y543-I570 HydrophobicContact CD2-CD1 3.69Å; Y543-I570 HydrophobicContact CG-CD1 4.38Å; W566-I570 WeakPolarHBondContact O-CG1 3.36Å; W566-I570 PolarHBondContact O-N 3.41Å; L567-I570 HydrophobicContact CD2-CD1 4.16Å; I570-P572 WeakPolarHBondContact O-CD 3.15Å |
| 571 | N | 84.1 | Confident | 75.5 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 6% | 0.064 | 35% | 0.347 | C | S | . | . | trans | -66.1 | 116 | 177.6 | -168.7 | -23.5 | 0 | 0 | 0 | 109.9 | I401 L567 K569 R573 N574 | I401-N571 HydrophobicContact CG2-CB 3.8Å; L567-N571 VanDerWaalsContact O-CB 3.3Å; L567-N571 WeakPolarHBondContact O-CB 3.33Å; L567-N571 PolarHBondContact O-N 3.05Å; K569-N571 VanDerWaalsContact C-N 3.3Å; N571-R573 PolarHBondContact O-N 3.32Å; N571-R573 PolarHBondContact OD1-N 3.11Å; N571-N574 PolarHBondContact O-N 2.92Å; N571-N574 VanDerWaalsContact O-N 3.11Å | ||
| 572 | P | 71.1 | Confident | 73.9 | Confident | 44 Ų | 44 | 62.2 Ų | 62.2 | 29% | 0.286 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -16.8 | -173.7 | -22.1 | 30.3 | 0 | 0 | 0 | 115.3 | T536 I570 | T536-P572 WeakPolarHBondContact O-CG 3.08Å; T536-P572 VanDerWaalsContact OG1-CB 3.26Å; T536-P572 WeakPolarHBondContact OG1-CB 3.25Å; I570-P572 WeakPolarHBondContact O-CD 3.15Å |
| 573 | R | 66.4 | Low | 72.3 | Confident | 110 Ų | 110 | 60.3 Ų | 60.3 | 42% | 0.415 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 6.8 | -178.5 | -73.4 | -172.9 | 169.7 | 162.4 | 5.7 | 114.9 | N571 I575 E586 | N571-R573 PolarHBondContact O-N 3.32Å; N571-R573 PolarHBondContact OD1-N 3.11Å; R573-I575 HydrophobicContact CB-CD1 3.93Å; R573-I575 HydrophobicContact CB-CG1 3.66Å; R573-I575 PolarHBondContact O-N 2.91Å; R573-I575 VanDerWaalsContact O-N 3.11Å; R573-E586 IonicContact CZ-OE1 2.55Å; R573-E586 IonicContact NH1-OE1 3.14Å; R573-E586 PolarHBondContact NH1-OE1 2.9Å |
| 574 | N | 59 | Low | 70.9 | Confident | 114 Ų | 114 | 62.8 Ų | 62.8 | 61% | 0.61 | 34% | 0.338 | S | S | * | . | trans | 37.2 | 54.5 | 179.9 | -164.5 | 6.2 | 0 | 0 | 0 | 112.7 | T568 N571 G576 | T568-N574 WeakPolarHBondContact CG2-OD1 3.41Å; N571-N574 PolarHBondContact O-N 2.92Å; N571-N574 VanDerWaalsContact O-N 3.11Å; N574-G576 VanDerWaalsContact C-N 3.35Å; N574-G576 PolarHBondContact O-N 3.5Å | ||
| 575 | I | 55.4 | Low | 69.6 | Low | 27 Ų | 27 | 67.8 Ų | 67.8 | 14% | 0.138 | 36% | 0.359 | C | S | . | . | trans | -78.8 | 86.9 | -169.8 | -57.1 | 172.8 | 0 | 0 | 0 | 109.1 | R573 T579 I582 | R573-I575 HydrophobicContact CB-CD1 3.93Å; R573-I575 HydrophobicContact CB-CG1 3.66Å; R573-I575 PolarHBondContact O-N 2.91Å; R573-I575 VanDerWaalsContact O-N 3.11Å; I575-T579 HydrophobicContact CG2-CG2 4.28Å; I575-I582 HydrophobicContact CD1-CG2 3.95Å; I575-I582 HydrophobicContact CG2-CB 4.44Å; I575-I582 HydrophobicContact CG2-CD1 3.54Å; I575-I582 HydrophobicContact CG2-CG2 4.47Å | ||
| 576 | G | 47.3 | Very low | 68.2 | Low | 54 Ų | 54 | 62.2 Ų | 62.2 | 56% | 0.557 | 33% | 0.333 | S | S | * | . | trans | -75.3 | 125.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112 | N574 D578 | N574-G576 VanDerWaalsContact C-N 3.35Å; N574-G576 PolarHBondContact O-N 3.5Å; G576-D578 PolarHBondContact O-N 2.94Å | ||
| 577 | V | 45.8 | Very low | 66.8 | Low | 144 Ų | 144 | 59.3 Ų | 59.3 | 87% | 0.873 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 71.9 | 8.1 | 148.8 | -145.4 | 0 | 0 | 0 | 0 | 119.7 | ||
| 578 | D | 54.2 | Low | 65.8 | Low | 103 Ų | 103 | 61.2 Ų | 61.2 | 55% | 0.551 | 34% | 0.338 | S | S | * | . | trans | -147.5 | 47 | 163.8 | -135.2 | 11.7 | 0 | 0 | 0 | 113 | G576 G580 T581 I582 | G576-D578 PolarHBondContact O-N 2.94Å; D578-G580 VanDerWaalsContact C-N 3.29Å; D578-G580 PolarHBondContact O-N 3.46Å; D578-T581 PolarHBondContact O-N 3.29Å; D578-I582 PolarHBondContact O-N 3.47Å | ||
| 579 | T | 55.8 | Low | 64.9 | Low | 50 Ų | 50 | 65 Ų | 65 | 31% | 0.307 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -47.7 | -48 | -173.1 | 6 | 0 | 0 | 0 | 0 | 111.8 | I575 T581 I582 L583 | I575-T579 HydrophobicContact CG2-CG2 4.28Å; T579-T581 PolarHBondContact O-N 2.91Å; T579-I582 PolarHBondContact O-N 3.16Å; T579-L583 HydrophobicContact CG2-CD1 3.99Å; T579-L583 WeakPolarHBondContact O-CB 3.5Å; T579-L583 WeakPolarHBondContact O-CD1 3.37Å; T579-L583 WeakPolarHBondContact O-CG 3Å; T579-L583 PolarHBondContact O-N 3.31Å |
| 580 | G | 54.7 | Low | 63.7 | Low | 10 Ų | 10 | 58.8 Ų | 58.8 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.6 | -42.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115 | T434 D578 T584 | T434-G580 CarbonylContact O-C 3.56Å; T434-G580 WeakPolarHBondContact O-CA 3.5Å; T434-G580 VanDerWaalsContact O-O 3.1Å; D578-G580 VanDerWaalsContact C-N 3.29Å; D578-G580 PolarHBondContact O-N 3.46Å; G580-T584 WeakPolarHBondContact O-CB 3.5Å; G580-T584 PolarHBondContact O-N 3.01Å; G580-T584 PolarHBondContact O-OG1 3.12Å |
| 581 | T | 62.4 | Low | 62.8 | Low | 72 Ų | 72 | 61.2 Ų | 61.2 | 44% | 0.442 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.3 | -41.1 | -177.1 | -47.8 | 0 | 0 | 0 | 0 | 111.9 | D578 T579 K585 | D578-T581 PolarHBondContact O-N 3.29Å; T579-T581 PolarHBondContact O-N 2.91Å; T581-K585 WeakPolarHBondContact O-CG 3.43Å; T581-K585 PolarHBondContact O-N 3.41Å; T581-K585 VanDerWaalsContact O-N 3.12Å |
| 582 | I | 61.6 | Low | 62.3 | Low | 60 Ų | 60 | 66.5 Ų | 66.5 | 31% | 0.308 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.9 | -44.8 | -179.2 | -66.2 | 167.3 | 0 | 0 | 0 | 109.8 | I575 D578 T579 T584 K585 E586 | I575-I582 HydrophobicContact CD1-CG2 3.95Å; I575-I582 HydrophobicContact CG2-CB 4.44Å; I575-I582 HydrophobicContact CG2-CD1 3.54Å; I575-I582 HydrophobicContact CG2-CG2 4.47Å; D578-I582 PolarHBondContact O-N 3.47Å; T579-I582 PolarHBondContact O-N 3.16Å; I582-T584 VanDerWaalsContact C-N 3.35Å; I582-T584 PolarHBondContact O-N 3.4Å; I582-K585 WeakPolarHBondContact O-CB 3.18Å; I582-K585 PolarHBondContact O-N 3.31Å; I582-K585 VanDerWaalsContact O-N 3.16Å; I582-E586 WeakPolarHBondContact O-CG 3.48Å; I582-E586 PolarHBondContact O-N 3.47Å |
| 583 | L | 61.8 | Low | 62.3 | Low | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 178.6 | -70 | 179.2 | 0 | 0 | 0 | 112.3 | L399 W435 T579 K585 E586 Y587 | L399-L583 HydrophobicContact CB-CD2 3.73Å; L399-L583 HydrophobicContact CD1-CB 3.75Å; L399-L583 HydrophobicContact CD1-CD1 3.48Å; L399-L583 VanDerWaalsContact CD1-CD1 3.48Å; L399-L583 HydrophobicContact CD1-CD2 3.58Å; L399-L583 HydrophobicContact CD1-CG 3.69Å; L399-L583 HydrophobicContact CG-CD2 4.23Å; W435-L583 HydrophobicContact CB-CB 3.9Å; T579-L583 HydrophobicContact CG2-CD1 3.99Å; T579-L583 WeakPolarHBondContact O-CB 3.5Å; T579-L583 WeakPolarHBondContact O-CD1 3.37Å; T579-L583 WeakPolarHBondContact O-CG 3Å; T579-L583 PolarHBondContact O-N 3.31Å; L583-K585 PolarHBondContact O-N 3.25Å; L583-E586 PolarHBondContact O-N 2.95Å; L583-Y587 WeakPolarHBondContact O-CB 3.01Å; L583-Y587 PolarHBondContact O-N 3.06Å |
| 584 | T | 65.7 | Low | 62.5 | Low | 51 Ų | 51 | 62.6 Ų | 62.6 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 173.9 | -52.8 | 0 | 0 | 0 | 0 | 111.8 | G580 I582 Y587 A588 | G580-T584 WeakPolarHBondContact O-CB 3.5Å; G580-T584 PolarHBondContact O-N 3.01Å; G580-T584 PolarHBondContact O-OG1 3.12Å; I582-T584 VanDerWaalsContact C-N 3.35Å; I582-T584 PolarHBondContact O-N 3.4Å; T584-Y587 PolarHBondContact O-N 3.38Å; T584-A588 WeakPolarHBondContact O-CB 3.44Å; T584-A588 PolarHBondContact O-N 3.09Å |
| 585 | K | 67.6 | Low | 63.3 | Low | 131 Ų | 131 | 62 Ų | 62 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.9 | -34.6 | 176.2 | -74.4 | 179.2 | 179.4 | 178.8 | 0 | 113.1 | T581 I582 L583 R589 | T581-K585 WeakPolarHBondContact O-CG 3.43Å; T581-K585 PolarHBondContact O-N 3.41Å; T581-K585 VanDerWaalsContact O-N 3.12Å; I582-K585 WeakPolarHBondContact O-CB 3.18Å; I582-K585 PolarHBondContact O-N 3.31Å; I582-K585 VanDerWaalsContact O-N 3.16Å; L583-K585 PolarHBondContact O-N 3.25Å; K585-R589 PolarHBondContact O-N 3.39Å; K585-R589 VanDerWaalsContact O-N 3.11Å; K585-R589 PolarHBondContact O-NE 3.12Å |
| 586 | E | 63.5 | Low | 64.3 | Low | 14 Ų | 14 | 67.2 Ų | 67.2 | 7% | 0.065 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.1 | -46.2 | 175 | -74.2 | -169.8 | 177.8 | 0 | 0 | 111.3 | S396 R573 I582 L583 A588 R589 C590 | S396-E586 PolarHBondContact OG-OE2 3.11Å; R573-E586 IonicContact CZ-OE1 2.55Å; R573-E586 IonicContact NH1-OE1 3.14Å; R573-E586 PolarHBondContact NH1-OE1 2.9Å; I582-E586 WeakPolarHBondContact O-CG 3.48Å; I582-E586 PolarHBondContact O-N 3.47Å; L583-E586 PolarHBondContact O-N 2.95Å; E586-A588 VanDerWaalsContact C-N 3.33Å; E586-A588 PolarHBondContact O-N 2.97Å; E586-R589 PolarHBondContact O-N 3.1Å; E586-C590 PolarHBondContact O-N 3.28Å |
| 587 | Y | 65.4 | Low | 65.6 | Low | 45 Ų | 45 | 69.4 Ų | 69.4 | 18% | 0.176 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 175.6 | -174.9 | -102.4 | 0 | 0 | 0 | 111.8 | I393 P394 W435 L583 T584 C590 L591 | I393-Y587 HydrophobicContact CG2-CE2 3.69Å; P394-Y587 VanDerWaalsContact CD-CE2 3.44Å; P394-Y587 HydrophobicContact CG-CD2 3.75Å; P394-Y587 HydrophobicContact CG-CE2 3.5Å; P394-Y587 VanDerWaalsContact CG-CE2 3.5Å; P394-Y587 WeakPolarHBondContact O-CD2 3.16Å; W435-Y587 AromaticContact CE2-CD1 3.86Å; W435-Y587 AromaticContact CE2-CD2 3.99Å; W435-Y587 AromaticContact CE2-CG 3.7Å; W435-Y587 AromaticContact CH2-CD2 3.9Å; W435-Y587 HydrophobicContact CH2-CD2 3.9Å; W435-Y587 AromaticContact CH2-CE2 3.71Å; W435-Y587 HydrophobicContact CH2-CE2 3.71Å; W435-Y587 HydrophobicContact CH2-CG 4.41Å; W435-Y587 AromaticContact CZ2-CD1 3.59Å; W435-Y587 HydrophobicContact CZ2-CD1 3.59Å; W435-Y587 AromaticContact CZ2-CD2 3.45Å; W435-Y587 HydrophobicContact CZ2-CD2 3.45Å; W435-Y587 VanDerWaalsContact CZ2-CD2 3.45Å; W435-Y587 AromaticContact CZ2-CE1 3.57Å; W435-Y587 HydrophobicContact CZ2-CE1 3.57Å; W435-Y587 AromaticContact CZ2-CE2 3.46Å; W435-Y587 HydrophobicContact CZ2-CE2 3.46Å; W435-Y587 VanDerWaalsContact CZ2-CE2 3.46Å; W435-Y587 AromaticContact CZ2-CG 3.53Å; W435-Y587 HydrophobicContact CZ2-CG 3.53Å; W435-Y587 AromaticContact CZ2-CZ 3.54Å; W435-Y587 AromaticContact NE1-CD1 3.71Å; W435-Y587 AromaticContact NE1-CG 3.76Å; L583-Y587 WeakPolarHBondContact O-CB 3.01Å; L583-Y587 PolarHBondContact O-N 3.06Å; T584-Y587 PolarHBondContact O-N 3.38Å; Y587-C590 PolarHBondContact O-N 2.67Å; Y587-L591 HydrophobicContact CD1-CD1 3.69Å; Y587-L591 HydrophobicContact CD1-CG 4.21Å; Y587-L591 HydrophobicContact CE1-CD1 3.14Å; Y587-L591 HydrophobicContact CE1-CD2 4.45Å; Y587-L591 HydrophobicContact CE1-CG 3.79Å; Y587-L591 HydrophobicContact CE2-CG 4.49Å; Y587-L591 WeakPolarHBondContact O-CB 2.79Å; Y587-L591 WeakPolarHBondContact O-CG 3.26Å; Y587-L591 PolarHBondContact O-N 3.01Å |
| 588 | A | 71.7 | Confident | 67 | Low | 39 Ų | 39 | 70.6 Ų | 70.6 | 32% | 0.322 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T584 E586 C590 L591 E592 | T584-A588 WeakPolarHBondContact O-CB 3.44Å; T584-A588 PolarHBondContact O-N 3.09Å; E586-A588 VanDerWaalsContact C-N 3.33Å; E586-A588 PolarHBondContact O-N 2.97Å; A588-C590 VanDerWaalsContact C-N 3.34Å; A588-C590 PolarHBondContact O-N 2.96Å; A588-L591 PolarHBondContact O-N 3.46Å; A588-E592 WeakPolarHBondContact O-CG 3.39Å; A588-E592 PolarHBondContact O-N 3.28Å |
| 589 | R | 69 | Low | 68.3 | Low | 134 Ų | 134 | 68.1 Ų | 68.1 | 51% | 0.506 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61 | -41.2 | 176.6 | -87 | -178.3 | -84 | 148 | -7.3 | 112.8 | K585 E586 E592 S593 | K585-R589 PolarHBondContact O-N 3.39Å; K585-R589 VanDerWaalsContact O-N 3.11Å; K585-R589 PolarHBondContact O-NE 3.12Å; E586-R589 PolarHBondContact O-N 3.1Å; R589-E592 PolarHBondContact O-N 3.29Å; R589-S593 PolarHBondContact O-N 3.28Å |
| 590 | C | 66.4 | Low | 69.6 | Low | 14 Ų | 14 | 71.9 Ų | 71.9 | 10% | 0.095 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.3 | -47.1 | 177 | -165.6 | 0 | 0 | 0 | 0 | 110.6 | P394 Y532 E586 Y587 A588 E592 S593 I594 | P394-C590 HydrophobicContact CB-CB 3.64Å; P394-C590 WeakPolarHBondContact CB-SG 3.48Å; P394-C590 HydrophobicContact CG-CB 3.81Å; Y532-C590 PolarHBondContact O-SG 3.01Å; Y532-C590 VanDerWaalsContact O-SG 3.38Å; E586-C590 PolarHBondContact O-N 3.28Å; Y587-C590 PolarHBondContact O-N 2.67Å; A588-C590 VanDerWaalsContact C-N 3.34Å; A588-C590 PolarHBondContact O-N 2.96Å; C590-E592 VanDerWaalsContact C-N 3.28Å; C590-E592 PolarHBondContact O-N 3.43Å; C590-S593 WeakPolarHBondContact O-CB 3.41Å; C590-S593 PolarHBondContact O-N 3.24Å; C590-S593 VanDerWaalsContact O-N 3.12Å; C590-I594 VanDerWaalsContact O-CG1 3.24Å; C590-I594 WeakPolarHBondContact O-CG1 3.42Å; C590-I594 PolarHBondContact O-N 3.33Å; C590-I594 VanDerWaalsContact O-N 3.09Å |
| 591 | L | 69.5 | Low | 70.9 | Confident | 56 Ų | 56 | 73.9 Ų | 73.9 | 29% | 0.293 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55.3 | -41.4 | 175.4 | -80 | -179.6 | 0 | 0 | 0 | 113.1 | P394 Y587 A588 I594 I595 | P394-L591 HydrophobicContact CG-CD2 4.36Å; P394-L591 HydrophobicContact CG-CG 4.39Å; Y587-L591 HydrophobicContact CD1-CD1 3.69Å; Y587-L591 HydrophobicContact CD1-CG 4.21Å; Y587-L591 HydrophobicContact CE1-CD1 3.14Å; Y587-L591 HydrophobicContact CE1-CD2 4.45Å; Y587-L591 HydrophobicContact CE1-CG 3.79Å; Y587-L591 HydrophobicContact CE2-CG 4.49Å; Y587-L591 WeakPolarHBondContact O-CB 2.79Å; Y587-L591 WeakPolarHBondContact O-CG 3.26Å; Y587-L591 PolarHBondContact O-N 3.01Å; A588-L591 PolarHBondContact O-N 3.46Å; L591-I594 HydrophobicContact CD2-CD1 4.48Å; L591-I594 PolarHBondContact O-N 3.26Å; L591-I595 WeakPolarHBondContact O-CB 3.2Å; L591-I595 WeakPolarHBondContact O-CD1 3.47Å; L591-I595 WeakPolarHBondContact O-CG1 3.43Å; L591-I595 PolarHBondContact O-N 3.11Å |
| 592 | E | 74.8 | Confident | 71.9 | Confident | 123 Ų | 123 | 75 Ų | 75 | 58% | 0.575 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -57.8 | -47.9 | 176.1 | -75.6 | 167.7 | -179.1 | 0 | 0 | 111.7 | A588 R589 C590 I594 I595 E596 | A588-E592 WeakPolarHBondContact O-CG 3.39Å; A588-E592 PolarHBondContact O-N 3.28Å; R589-E592 PolarHBondContact O-N 3.29Å; C590-E592 VanDerWaalsContact C-N 3.28Å; C590-E592 PolarHBondContact O-N 3.43Å; E592-I594 VanDerWaalsContact C-N 3.33Å; E592-I594 PolarHBondContact O-N 2.92Å; E592-I595 PolarHBondContact O-N 3.4Å; E592-E596 WeakPolarHBondContact O-CB 3.34Å; E592-E596 PolarHBondContact O-N 3.12Å |
| 593 | S | 71.2 | Confident | 72.9 | Confident | 53 Ų | 53 | 80.3 Ų | 80.3 | 37% | 0.371 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 176.8 | -169.2 | 0 | 0 | 0 | 0 | 112 | R589 C590 E596 D597 | R589-S593 PolarHBondContact O-N 3.28Å; C590-S593 WeakPolarHBondContact O-CB 3.41Å; C590-S593 PolarHBondContact O-N 3.24Å; C590-S593 VanDerWaalsContact O-N 3.12Å; S593-E596 PolarHBondContact O-N 3.45Å; S593-D597 PolarHBondContact O-N 3.43Å |
| 594 | I | 70.8 | Confident | 73.8 | Confident | 19 Ų | 19 | 83.5 Ų | 83.5 | 10% | 0.097 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.6 | -41.4 | -179.8 | -55.9 | 168.1 | 0 | 0 | 0 | 111.1 | P394 Y532 C590 L591 E592 E596 R598 | P394-I594 HydrophobicContact CB-CD1 4.25Å; P394-I594 HydrophobicContact CG-CD1 4.02Å; Y532-I594 HydrophobicContact CD1-CD1 3.18Å; Y532-I594 HydrophobicContact CD1-CG1 3.51Å; Y532-I594 HydrophobicContact CE1-CB 4.41Å; Y532-I594 HydrophobicContact CE1-CD1 3.08Å; Y532-I594 HydrophobicContact CE1-CG1 3.31Å; Y532-I594 HydrophobicContact CE1-CG2 4.24Å; Y532-I594 HydrophobicContact CG-CD1 4.19Å; C590-I594 VanDerWaalsContact O-CG1 3.24Å; C590-I594 WeakPolarHBondContact O-CG1 3.42Å; C590-I594 PolarHBondContact O-N 3.33Å; C590-I594 VanDerWaalsContact O-N 3.09Å; L591-I594 HydrophobicContact CD2-CD1 4.48Å; L591-I594 PolarHBondContact O-N 3.26Å; E592-I594 VanDerWaalsContact C-N 3.33Å; E592-I594 PolarHBondContact O-N 2.92Å; I594-E596 VanDerWaalsContact C-N 3.31Å; I594-R598 WeakPolarHBondContact O-CB 3.24Å; I594-R598 WeakPolarHBondContact O-CG 3.21Å; I594-R598 PolarHBondContact O-N 2.93Å |
| 595 | I | 74.5 | Confident | 74.5 | Confident | 102 Ų | 102 | 87.6 Ų | 87.6 | 52% | 0.523 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 177.9 | -71.7 | 165.9 | 0 | 0 | 0 | 109.5 | L591 E592 T599 | L591-I595 WeakPolarHBondContact O-CB 3.2Å; L591-I595 WeakPolarHBondContact O-CD1 3.47Å; L591-I595 WeakPolarHBondContact O-CG1 3.43Å; L591-I595 PolarHBondContact O-N 3.11Å; E592-I595 PolarHBondContact O-N 3.4Å; I595-T599 WeakPolarHBondContact O-CB 3.47Å; I595-T599 PolarHBondContact O-N 3.42Å; I595-T599 PolarHBondContact O-OG1 2.96Å |
| 596 | E | 76.6 | Confident | 75.2 | Confident | 136 Ų | 136 | 86.5 Ų | 86.5 | 64% | 0.636 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.5 | -51.2 | 177.4 | -172.9 | 165 | -157.4 | 0 | 0 | 111.8 | E592 S593 I594 R598 T599 Q600 | E592-E596 WeakPolarHBondContact O-CB 3.34Å; E592-E596 PolarHBondContact O-N 3.12Å; S593-E596 PolarHBondContact O-N 3.45Å; I594-E596 VanDerWaalsContact C-N 3.31Å; E596-R598 PolarHBondContact O-N 3.39Å; E596-T599 PolarHBondContact O-N 3.37Å; E596-T599 VanDerWaalsContact O-N 3.17Å; E596-Q600 PolarHBondContact O-N 3.44Å |
| 597 | D | 74.4 | Confident | 76.1 | Confident | 100 Ų | 100 | 92.5 Ų | 92.5 | 54% | 0.535 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.2 | -47 | 177.9 | -73.6 | -17.4 | 0 | 0 | 0 | 112 | S593 T599 Q600 A601 | S593-D597 PolarHBondContact O-N 3.43Å; D597-T599 VanDerWaalsContact C-N 3.34Å; D597-T599 PolarHBondContact O-N 3.08Å; D597-Q600 PolarHBondContact O-N 3.01Å; D597-A601 PolarHBondContact O-N 3.27Å |
| 598 | R | 75.8 | Confident | 76.7 | Confident | 169 Ų | 169 | 97.5 Ų | 97.5 | 64% | 0.638 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65 | -38.4 | 177.7 | -77.1 | -173.5 | 174.6 | -179.1 | 0.1 | 112.3 | I594 E596 Q600 A601 L602 | I594-R598 WeakPolarHBondContact O-CB 3.24Å; I594-R598 WeakPolarHBondContact O-CG 3.21Å; I594-R598 PolarHBondContact O-N 2.93Å; E596-R598 PolarHBondContact O-N 3.39Å; R598-Q600 VanDerWaalsContact C-N 3.31Å; R598-A601 PolarHBondContact O-N 3.47Å; R598-L602 WeakPolarHBondContact O-CB 3.41Å; R598-L602 PolarHBondContact O-N 3.33Å |
| 599 | T | 81.7 | Confident | 77 | Confident | 51 Ų | 51 | 98 Ų | 98 | 31% | 0.313 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 177 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | I595 E596 D597 R603 | I595-T599 WeakPolarHBondContact O-CB 3.47Å; I595-T599 PolarHBondContact O-N 3.42Å; I595-T599 PolarHBondContact O-OG1 2.96Å; E596-T599 PolarHBondContact O-N 3.37Å; E596-T599 VanDerWaalsContact O-N 3.17Å; D597-T599 VanDerWaalsContact C-N 3.34Å; D597-T599 PolarHBondContact O-N 3.08Å; T599-R603 WeakPolarHBondContact O-CB 3.3Å; T599-R603 VanDerWaalsContact O-CG 3.27Å; T599-R603 WeakPolarHBondContact O-CG 3.4Å; T599-R603 PolarHBondContact O-N 2.94Å |
| 600 | Q | 83.2 | Confident | 77.5 | Confident | 129 Ų | 129 | 94.3 Ų | 94.3 | 60% | 0.603 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.7 | -44.6 | 175.5 | -176.1 | 173.5 | -5.5 | 0 | 0 | 112.1 | E596 D597 R598 R603 S604 | E596-Q600 PolarHBondContact O-N 3.44Å; D597-Q600 PolarHBondContact O-N 3.01Å; R598-Q600 VanDerWaalsContact C-N 3.31Å; Q600-R603 PolarHBondContact O-N 2.93Å; Q600-S604 PolarHBondContact O-N 3.41Å |
| 601 | A | 81.2 | Confident | 78.2 | Confident | 52 Ų | 52 | 97.8 Ų | 97.8 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D597 R598 R603 S604 E605 | D597-A601 PolarHBondContact O-N 3.27Å; R598-A601 PolarHBondContact O-N 3.47Å; A601-R603 VanDerWaalsContact C-N 3.34Å; A601-R603 PolarHBondContact O-N 3.14Å; A601-S604 PolarHBondContact O-N 3.03Å; A601-S604 PolarHBondContact O-OG 3.36Å; A601-E605 PolarHBondContact O-N 3.47Å |
| 602 | L | 83.3 | Confident | 78.8 | Confident | 94 Ų | 94 | 99.8 Ų | 99.8 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 176.1 | -175.9 | 65.6 | 0 | 0 | 0 | 111.8 | R598 S604 E605 Q606 | R598-L602 WeakPolarHBondContact O-CB 3.41Å; R598-L602 PolarHBondContact O-N 3.33Å; L602-S604 PolarHBondContact O-N 3.35Å; L602-E605 PolarHBondContact O-N 3.05Å; L602-Q606 WeakPolarHBondContact O-CB 3.49Å; L602-Q606 VanDerWaalsContact O-CG 3.3Å; L602-Q606 WeakPolarHBondContact O-CG 3.27Å; L602-Q606 PolarHBondContact O-N 3.05Å |
| 603 | R | 82.6 | Confident | 79.1 | Confident | 172 Ų | 172 | 97.4 Ų | 97.4 | 65% | 0.649 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.5 | -37.4 | 177.2 | -76.4 | 172.7 | 179.4 | 164.7 | 2.2 | 112.5 | T599 Q600 A601 K607 | T599-R603 WeakPolarHBondContact O-CB 3.3Å; T599-R603 VanDerWaalsContact O-CG 3.27Å; T599-R603 WeakPolarHBondContact O-CG 3.4Å; T599-R603 PolarHBondContact O-N 2.94Å; Q600-R603 PolarHBondContact O-N 2.93Å; A601-R603 VanDerWaalsContact C-N 3.34Å; A601-R603 PolarHBondContact O-N 3.14Å; R603-K607 WeakPolarHBondContact O-CB 3.21Å; R603-K607 PolarHBondContact O-N 3.49Å; R603-K607 VanDerWaalsContact O-N 3.09Å |
| 604 | S | 81.5 | Confident | 79.5 | Confident | 70 Ų | 70 | 97.9 Ų | 97.9 | 49% | 0.49 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70 | -42.4 | 177.9 | 61.6 | 0 | 0 | 0 | 0 | 111.6 | Q600 A601 L602 K607 M608 | Q600-S604 PolarHBondContact O-N 3.41Å; A601-S604 PolarHBondContact O-N 3.03Å; A601-S604 PolarHBondContact O-OG 3.36Å; L602-S604 PolarHBondContact O-N 3.35Å; S604-K607 PolarHBondContact O-N 2.95Å; S604-M608 PolarHBondContact O-N 2.88Å |
| 605 | E | 79.6 | Confident | 79.9 | Confident | 137 Ų | 137 | 101.1 Ų | 101.1 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -46.9 | 174.2 | -76.1 | -172 | 163.9 | 0 | 0 | 112.2 | A601 L602 K607 M608 A609 | A601-E605 PolarHBondContact O-N 3.47Å; L602-E605 PolarHBondContact O-N 3.05Å; E605-K607 VanDerWaalsContact C-N 3.3Å; E605-K607 PolarHBondContact O-N 3.43Å; E605-M608 PolarHBondContact O-N 3.29Å; E605-M608 VanDerWaalsContact O-N 3.14Å; E605-A609 PolarHBondContact O-N 2.92Å |
| 606 | Q | 82.2 | Confident | 80.1 | Confident | 108 Ų | 108 | 102.2 Ų | 102.2 | 51% | 0.505 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 175.9 | -78.3 | 179.4 | -11 | 0 | 0 | 111.7 | L602 M608 A609 D610 | L602-Q606 WeakPolarHBondContact O-CB 3.49Å; L602-Q606 VanDerWaalsContact O-CG 3.3Å; L602-Q606 WeakPolarHBondContact O-CG 3.27Å; L602-Q606 PolarHBondContact O-N 3.05Å; Q606-M608 VanDerWaalsContact C-N 3.31Å; Q606-M608 PolarHBondContact O-N 2.64Å; Q606-A609 PolarHBondContact O-N 2.83Å; Q606-D610 VanDerWaalsContact O-CB 3.26Å; Q606-D610 WeakPolarHBondContact O-CB 3.04Å; Q606-D610 PolarHBondContact O-N 3.25Å |
| 607 | K | 82.4 | Confident | 80.5 | Confident | 139 Ų | 139 | 96 Ų | 96 | 60% | 0.604 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.4 | -35.3 | 178.6 | -173 | 178.8 | 179.4 | -178.1 | 0 | 112.7 | R603 S604 E605 T611 | R603-K607 WeakPolarHBondContact O-CB 3.21Å; R603-K607 PolarHBondContact O-N 3.49Å; R603-K607 VanDerWaalsContact O-N 3.09Å; S604-K607 PolarHBondContact O-N 2.95Å; E605-K607 VanDerWaalsContact C-N 3.3Å; E605-K607 PolarHBondContact O-N 3.43Å; K607-T611 WeakPolarHBondContact O-CB 3.49Å; K607-T611 PolarHBondContact O-N 3.28Å; K607-T611 PolarHBondContact O-OG1 3.03Å |
| 608 | M | 78.3 | Confident | 80.9 | Confident | 151 Ų | 151 | 91.8 Ų | 91.8 | 74% | 0.744 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.6 | -47.7 | 176 | -175 | 172.7 | 178.4 | 0 | 0 | 111 | S604 E605 Q606 D610 T611 L612 | S604-M608 PolarHBondContact O-N 2.88Å; E605-M608 PolarHBondContact O-N 3.29Å; E605-M608 VanDerWaalsContact O-N 3.14Å; Q606-M608 VanDerWaalsContact C-N 3.31Å; Q606-M608 PolarHBondContact O-N 2.64Å; M608-D610 VanDerWaalsContact C-N 3.29Å; M608-D610 PolarHBondContact O-N 3.17Å; M608-T611 PolarHBondContact O-N 2.86Å; M608-L612 PolarHBondContact O-N 3.38Å |
| 609 | A | 79.1 | Confident | 81.3 | Confident | 50 Ų | 50 | 88.3 Ų | 88.3 | 41% | 0.413 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -57.7 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | E605 Q606 T611 L612 L613 | E605-A609 PolarHBondContact O-N 2.92Å; Q606-A609 PolarHBondContact O-N 2.83Å; A609-T611 PolarHBondContact O-N 2.96Å; A609-L612 PolarHBondContact O-N 3.07Å; A609-L613 WeakPolarHBondContact O-CB 3.38Å; A609-L613 WeakPolarHBondContact O-CG 3.49Å; A609-L613 PolarHBondContact O-N 3.36Å |
| 610 | D | 79.6 | Confident | 81.3 | Confident | 55 Ų | 55 | 90.8 Ų | 90.8 | 29% | 0.294 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 177.1 | -81.2 | -11.8 | 0 | 0 | 0 | 113.2 | Q606 M608 L612 N614 R626 | Q606-D610 VanDerWaalsContact O-CB 3.26Å; Q606-D610 WeakPolarHBondContact O-CB 3.04Å; Q606-D610 PolarHBondContact O-N 3.25Å; M608-D610 VanDerWaalsContact C-N 3.29Å; M608-D610 PolarHBondContact O-N 3.17Å; D610-L612 VanDerWaalsContact C-N 3.32Å; D610-N614 WeakPolarHBondContact O-CB 3.32Å; D610-N614 PolarHBondContact O-N 3.36Å; D610-N614 VanDerWaalsContact O-N 3.07Å; D610-N614 PolarHBondContact O-ND2 3.45Å; D610-R626 VanDerWaalsContact CB-NH2 3.28Å; D610-R626 IonicContact OD1-CZ 3.89Å; D610-R626 IonicContact OD1-NE 3.56Å; D610-R626 PolarHBondContact OD1-NE 2.87Å; D610-R626 IonicContact OD1-NH2 2.81Å; D610-R626 PolarHBondContact OD1-NH2 3.32Å; D610-R626 IonicContact OD2-CZ 3.66Å; D610-R626 IonicContact OD2-NH1 2.66Å; D610-R626 IonicContact OD2-NH2 3.94Å; D610-R626 PolarHBondContact OD2-NH2 3.38Å |
| 611 | T | 80.6 | Confident | 81.3 | Confident | 88 Ų | 88 | 85 Ų | 85 | 54% | 0.54 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 178.8 | -57.1 | 0 | 0 | 0 | 0 | 110.4 | K607 M608 A609 S615 | K607-T611 WeakPolarHBondContact O-CB 3.49Å; K607-T611 PolarHBondContact O-N 3.28Å; K607-T611 PolarHBondContact O-OG1 3.03Å; M608-T611 PolarHBondContact O-N 2.86Å; A609-T611 PolarHBondContact O-N 2.96Å; T611-S615 PolarHBondContact O-N 3.31Å |
| 612 | L | 82.1 | Confident | 81.4 | Confident | 98 Ų | 98 | 82.6 Ų | 82.6 | 51% | 0.513 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.8 | -44.6 | 178.9 | -169.9 | 70.6 | 0 | 0 | 0 | 112.1 | M608 A609 D610 N614 S615 M616 | M608-L612 PolarHBondContact O-N 3.38Å; A609-L612 PolarHBondContact O-N 3.07Å; D610-L612 VanDerWaalsContact C-N 3.32Å; L612-N614 PolarHBondContact O-N 3Å; L612-S615 WeakPolarHBondContact CA-OG 3.35Å; L612-S615 PolarHBondContact O-N 3.48Å; L612-S615 VanDerWaalsContact O-N 3.09Å; L612-S615 PolarHBondContact O-OG 3.3Å; L612-M616 HydrophobicContact CD1-CE 3.87Å; L612-M616 HydrophobicContact CD2-CE 4.32Å; L612-M616 HydrophobicContact CG-CE 3.94Å; L612-M616 PolarHBondContact O-N 3.14Å |
| 613 | L | 81.4 | Confident | 81.4 | Confident | 72 Ų | 72 | 83.5 Ų | 83.5 | 38% | 0.377 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 177.7 | -76.1 | 167.9 | 0 | 0 | 0 | 111.5 | A609 S615 M616 L617 V622 | A609-L613 WeakPolarHBondContact O-CB 3.38Å; A609-L613 WeakPolarHBondContact O-CG 3.49Å; A609-L613 PolarHBondContact O-N 3.36Å; L613-S615 PolarHBondContact O-N 3.08Å; L613-M616 PolarHBondContact O-N 2.82Å; L613-M616 VanDerWaalsContact O-N 3.11Å; L613-L617 PolarHBondContact O-N 2.84Å; L613-V622 HydrophobicContact CB-CG1 4.06Å; L613-V622 HydrophobicContact CB-CG2 4.39Å |
| 614 | N | 79.9 | Confident | 81.5 | Confident | 63 Ų | 63 | 78 Ų | 78 | 34% | 0.337 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67 | -18.2 | 176.5 | -76.2 | -67.2 | 0 | 0 | 0 | 113.7 | D610 L612 | D610-N614 WeakPolarHBondContact O-CB 3.32Å; D610-N614 PolarHBondContact O-N 3.36Å; D610-N614 VanDerWaalsContact O-N 3.07Å; D610-N614 PolarHBondContact O-ND2 3.45Å; L612-N614 PolarHBondContact O-N 3Å |
| 615 | S | 78.2 | Confident | 81.4 | Confident | 88 Ų | 88 | 78 Ų | 78 | 62% | 0.615 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -84.8 | -17.6 | 171.8 | 62.6 | 0 | 0 | 0 | 0 | 114.2 | T611 L612 L613 | T611-S615 PolarHBondContact O-N 3.31Å; L612-S615 WeakPolarHBondContact CA-OG 3.35Å; L612-S615 PolarHBondContact O-N 3.48Å; L612-S615 VanDerWaalsContact O-N 3.09Å; L612-S615 PolarHBondContact O-OG 3.3Å; L613-S615 PolarHBondContact O-N 3.08Å |
| 616 | M | 79.4 | Confident | 81.3 | Confident | 124 Ų | 124 | 77.1 Ų | 77.1 | 61% | 0.611 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -101.4 | -30.4 | -177.8 | -66.9 | -175.8 | 178 | 0 | 0 | 113.3 | L612 L613 | L612-M616 HydrophobicContact CD1-CE 3.87Å; L612-M616 HydrophobicContact CD2-CE 4.32Å; L612-M616 HydrophobicContact CG-CE 3.94Å; L612-M616 PolarHBondContact O-N 3.14Å; L613-M616 PolarHBondContact O-N 2.82Å; L613-M616 VanDerWaalsContact O-N 3.11Å |
| 617 | L | 83.9 | Confident | 81.3 | Confident | 6 Ų | 6 | 78.9 Ų | 78.9 | 3% | 0.031 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -131.1 | 154.2 | -174.5 | -67.8 | 174.3 | 0 | 0 | 0 | 111.2 | L613 V621 V622 L625 P754 | L613-L617 PolarHBondContact O-N 2.84Å; L617-V621 HydrophobicContact CB-CG1 4.38Å; L617-V621 HydrophobicContact CD1-CG1 4.18Å; L617-V622 HydrophobicContact CB-CG2 3.75Å; L617-L625 HydrophobicContact CD1-CD1 3.51Å; L617-P754 HydrophobicContact CD1-CB 4.22Å; L617-P754 HydrophobicContact CD1-CG 4.02Å |
| 618 | P | 84.1 | Confident | 81.2 | Confident | 12 Ų | 12 | 75.5 Ų | 75.5 | 8% | 0.078 | 41% | 0.405 | C | S | . | . | trans | -61.8 | 144.4 | 174.1 | -11.5 | 22.6 | 0 | 0 | 0 | 111.8 | Q620 V621 V622 Y682 P698 Y756 | P618-Q620 VanDerWaalsContact C-N 3.28Å; P618-Q620 PolarHBondContact O-N 3.29Å; P618-Q620 VanDerWaalsContact O-N 3.15Å; P618-V621 HydrophobicContact CB-CG2 4.29Å; P618-V621 HydrophobicContact CG-CG2 4.08Å; P618-V621 WeakPolarHBondContact O-CA 3.27Å; P618-V621 VanDerWaalsContact O-CB 3.31Å; P618-V621 WeakPolarHBondContact O-CB 3.34Å; P618-V621 PolarHBondContact O-N 2.75Å; P618-V622 PolarHBondContact O-N 3.28Å; P618-Y682 HydrophobicContact CB-CE2 4.33Å; P618-Y682 WeakPolarHBondContact CD-OH 3.41Å; P618-Y682 HydrophobicContact CG-CD2 4.26Å; P618-Y682 HydrophobicContact CG-CE1 4.39Å; P618-Y682 HydrophobicContact CG-CE2 3.61Å; P618-P698 HydrophobicContact CB-CG 3.76Å; P618-P698 HydrophobicContact CG-CG 4.17Å; P618-Y756 HydrophobicContact CG-CD1 4.01Å; P618-Y756 HydrophobicContact CG-CD2 4.3Å; P618-Y756 HydrophobicContact CG-CE1 4.46Å; P618-Y756 HydrophobicContact CG-CG 3.9Å | ||
| 619 | K | 83.2 | Confident | 81.3 | Confident | 95 Ų | 95 | 73.2 Ų | 73.2 | 41% | 0.413 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -51.1 | -43.5 | -175.9 | -67.7 | -177 | 179.5 | 173.6 | 0 | 114.3 | V621 V622 E623 | K619-V621 VanDerWaalsContact C-N 3.26Å; K619-V621 PolarHBondContact O-N 3.23Å; K619-V622 PolarHBondContact O-N 2.82Å; K619-V622 VanDerWaalsContact O-N 3.16Å; K619-E623 WeakPolarHBondContact O-CG 3.34Å; K619-E623 PolarHBondContact O-N 3.37Å |
| 620 | Q | 81.7 | Confident | 81.2 | Confident | 103 Ų | 103 | 78 Ų | 78 | 48% | 0.481 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.2 | -39.1 | 178.7 | -69 | 170.9 | -29.7 | 0 | 0 | 111.7 | P618 M624 | P618-Q620 VanDerWaalsContact C-N 3.28Å; P618-Q620 PolarHBondContact O-N 3.29Å; P618-Q620 VanDerWaalsContact O-N 3.15Å; Q620-M624 WeakPolarHBondContact O-CG 3.44Å; Q620-M624 PolarHBondContact O-N 2.92Å |
| 621 | V | 83.1 | Confident | 81.3 | Confident | 7 Ų | 7 | 76.8 Ų | 76.8 | 4% | 0.042 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.2 | -41.9 | 176.5 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | L617 P618 K619 E623 M624 L625 V631 V748 Y756 | L617-V621 HydrophobicContact CB-CG1 4.38Å; L617-V621 HydrophobicContact CD1-CG1 4.18Å; P618-V621 HydrophobicContact CB-CG2 4.29Å; P618-V621 HydrophobicContact CG-CG2 4.08Å; P618-V621 WeakPolarHBondContact O-CA 3.27Å; P618-V621 VanDerWaalsContact O-CB 3.31Å; P618-V621 WeakPolarHBondContact O-CB 3.34Å; P618-V621 PolarHBondContact O-N 2.75Å; K619-V621 VanDerWaalsContact C-N 3.26Å; K619-V621 PolarHBondContact O-N 3.23Å; V621-E623 VanDerWaalsContact C-N 3.33Å; V621-E623 PolarHBondContact O-N 3.07Å; V621-M624 PolarHBondContact O-N 3.34Å; V621-L625 HydrophobicContact CG1-CD1 4Å; V621-L625 HydrophobicContact CG1-CG 4.4Å; V621-L625 WeakPolarHBondContact O-CG 3.43Å; V621-L625 PolarHBondContact O-N 3.48Å; V621-V631 HydrophobicContact CG1-CG1 4.3Å; V621-V631 HydrophobicContact CG1-CG2 4.03Å; V621-V631 HydrophobicContact CG2-CG1 4.28Å; V621-V748 HydrophobicContact CB-CG2 4.5Å; V621-V748 HydrophobicContact CG1-CG2 3.36Å; V621-V748 HydrophobicContact CG2-CG2 4.32Å; V621-Y756 HydrophobicContact CG2-CD2 3.75Å; V621-Y756 HydrophobicContact CG2-CE2 3.9Å |
| 622 | V | 84.1 | Confident | 81.6 | Confident | 3 Ų | 3 | 76.6 Ų | 76.6 | 2% | 0.018 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 178.2 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | L613 L617 P618 K619 L625 R626 | L613-V622 HydrophobicContact CB-CG1 4.06Å; L613-V622 HydrophobicContact CB-CG2 4.39Å; L617-V622 HydrophobicContact CB-CG2 3.75Å; P618-V622 PolarHBondContact O-N 3.28Å; K619-V622 PolarHBondContact O-N 2.82Å; K619-V622 VanDerWaalsContact O-N 3.16Å; V622-L625 PolarHBondContact O-N 3.16Å; V622-R626 WeakPolarHBondContact O-CG 3.31Å; V622-R626 PolarHBondContact O-N 3.36Å |
| 623 | E | 83.6 | Confident | 82 | Confident | 113 Ų | 113 | 76.7 Ų | 76.7 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 177.5 | -74.2 | 171.1 | -179.4 | 0 | 0 | 111.7 | K619 V621 L625 R626 H627 | K619-E623 WeakPolarHBondContact O-CG 3.34Å; K619-E623 PolarHBondContact O-N 3.37Å; V621-E623 VanDerWaalsContact C-N 3.33Å; V621-E623 PolarHBondContact O-N 3.07Å; E623-L625 PolarHBondContact O-N 3.04Å; E623-R626 PolarHBondContact O-N 2.93Å; E623-H627 PolarHBondContact O-CD2 3.09Å; E623-H627 PolarHBondContact O-N 3.47Å |
| 624 | M | 83 | Confident | 82.5 | Confident | 55 Ų | 55 | 76.6 Ų | 76.6 | 27% | 0.271 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 175.6 | -64.4 | -179.5 | 76.6 | 0 | 0 | 112 | Q620 V621 R626 H627 G628 E629 N630 V631 | Q620-M624 WeakPolarHBondContact O-CG 3.44Å; Q620-M624 PolarHBondContact O-N 2.92Å; V621-M624 PolarHBondContact O-N 3.34Å; M624-R626 VanDerWaalsContact C-N 3.32Å; M624-R626 PolarHBondContact O-N 3.29Å; M624-H627 PolarHBondContact O-N 3.11Å; M624-H627 VanDerWaalsContact O-N 3.14Å; M624-G628 PolarHBondContact O-N 2.75Å; M624-E629 HydrophobicContact CB-CB 4.37Å; M624-E629 WeakPolarHBondContact O-CB 3.2Å; M624-E629 PolarHBondContact O-N 2.82Å; M624-N630 WeakPolarHBondContact CE-O 3.43Å; M624-V631 HydrophobicContact CB-CG2 4.01Å; M624-V631 HydrophobicContact SD-CG1 4.33Å; M624-V631 HydrophobicContact SD-CG2 4.45Å |
| 625 | L | 80.2 | Confident | 83.2 | Confident | 71 Ų | 71 | 77.1 Ų | 77.1 | 37% | 0.372 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.6 | -35.1 | 178.7 | -70.7 | 175.5 | 0 | 0 | 0 | 112.6 | L617 V621 V622 E623 H627 G628 V631 | L617-L625 HydrophobicContact CD1-CD1 3.51Å; V621-L625 HydrophobicContact CG1-CD1 4Å; V621-L625 HydrophobicContact CG1-CG 4.4Å; V621-L625 WeakPolarHBondContact O-CG 3.43Å; V621-L625 PolarHBondContact O-N 3.48Å; V622-L625 PolarHBondContact O-N 3.16Å; E623-L625 PolarHBondContact O-N 3.04Å; L625-H627 VanDerWaalsContact C-N 3.28Å; L625-H627 PolarHBondContact O-N 3Å; L625-G628 PolarHBondContact O-N 3.19Å; L625-G628 VanDerWaalsContact O-N 3.08Å; L625-V631 HydrophobicContact CD2-CG2 3.96Å; L625-V631 HydrophobicContact CG-CG2 4.04Å |
| 626 | R | 78.4 | Confident | 84 | Confident | 119 Ų | 119 | 73.1 Ų | 73.1 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.5 | -33.7 | 174.6 | -78.7 | 176.6 | -179.5 | -175.7 | 2.9 | 113 | D610 V622 E623 M624 G628 | D610-R626 VanDerWaalsContact CB-NH2 3.28Å; D610-R626 IonicContact OD1-CZ 3.89Å; D610-R626 IonicContact OD1-NE 3.56Å; D610-R626 PolarHBondContact OD1-NE 2.87Å; D610-R626 IonicContact OD1-NH2 2.81Å; D610-R626 PolarHBondContact OD1-NH2 3.32Å; D610-R626 IonicContact OD2-CZ 3.66Å; D610-R626 IonicContact OD2-NH1 2.66Å; D610-R626 IonicContact OD2-NH2 3.94Å; D610-R626 PolarHBondContact OD2-NH2 3.38Å; V622-R626 WeakPolarHBondContact O-CG 3.31Å; V622-R626 PolarHBondContact O-N 3.36Å; E623-R626 PolarHBondContact O-N 2.93Å; M624-R626 VanDerWaalsContact C-N 3.32Å; M624-R626 PolarHBondContact O-N 3.29Å; R626-G628 PolarHBondContact O-N 3.39Å |
| 627 | H | 81.7 | Confident | 84.7 | Confident | 145 Ų | 145 | 75.1 Ų | 75.1 | 67% | 0.671 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 1.6 | 176.2 | -68.2 | -58.9 | 0 | 0 | 0 | 112.9 | E623 M624 L625 E629 | E623-H627 PolarHBondContact O-CD2 3.09Å; E623-H627 PolarHBondContact O-N 3.47Å; M624-H627 PolarHBondContact O-N 3.11Å; M624-H627 VanDerWaalsContact O-N 3.14Å; L625-H627 VanDerWaalsContact C-N 3.28Å; L625-H627 PolarHBondContact O-N 3Å; H627-E629 HydrophobicContact CB-CG 3.87Å; H627-E629 PolarHBondContact O-N 3.06Å |
| 628 | G | 79.2 | Confident | 85.2 | Confident | 68 Ų | 68 | 79.1 Ų | 79.1 | 70% | 0.701 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 19.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M624 L625 R626 | M624-G628 PolarHBondContact O-N 2.75Å; L625-G628 PolarHBondContact O-N 3.19Å; L625-G628 VanDerWaalsContact O-N 3.08Å; R626-G628 PolarHBondContact O-N 3.39Å |
| 629 | E | 80.3 | Confident | 85.8 | Confident | 103 Ų | 103 | 78.6 Ų | 78.6 | 48% | 0.481 | 42% | 0.417 | S | S | . | . | trans | -84 | 147.3 | -178.9 | -62.3 | -179.5 | 171.2 | 0 | 0 | 110.9 | M624 H627 | M624-E629 HydrophobicContact CB-CB 4.37Å; M624-E629 WeakPolarHBondContact O-CB 3.2Å; M624-E629 PolarHBondContact O-N 2.82Å; H627-E629 HydrophobicContact CB-CG 3.87Å; H627-E629 PolarHBondContact O-N 3.06Å | ||
| 630 | N | 78.1 | Confident | 86.5 | Confident | 151 Ų | 151 | 74 Ų | 74 | 81% | 0.807 | 40% | 0.398 | S | S | * | . | trans | -72.4 | 135.3 | 169.8 | -70.6 | -40.9 | 0 | 0 | 0 | 109.3 | M624 P632 | M624-N630 WeakPolarHBondContact CE-O 3.43Å; N630-P632 WeakPolarHBondContact O-CD 3.43Å | ||
| 631 | V | 81.5 | Confident | 87.2 | Confident | 28 Ų | 28 | 69.1 Ų | 69.1 | 17% | 0.17 | 38% | 0.375 | C | S | . | . | trans | -89.6 | 103.5 | 176.5 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | V621 M624 L625 V748 | V621-V631 HydrophobicContact CG1-CG1 4.3Å; V621-V631 HydrophobicContact CG1-CG2 4.03Å; V621-V631 HydrophobicContact CG2-CG1 4.28Å; M624-V631 HydrophobicContact CB-CG2 4.01Å; M624-V631 HydrophobicContact SD-CG1 4.33Å; M624-V631 HydrophobicContact SD-CG2 4.45Å; L625-V631 HydrophobicContact CD2-CG2 3.96Å; L625-V631 HydrophobicContact CG-CG2 4.04Å; V631-V748 HydrophobicContact CB-CB 4.35Å; V631-V748 HydrophobicContact CB-CG2 4Å; V631-V748 HydrophobicContact CG1-CG2 3.78Å; V631-V748 HydrophobicContact CG2-CG2 4.29Å | ||
| 632 | P | 86.5 | Confident | 87.9 | Confident | 84 Ų | 84 | 68.8 Ų | 68.8 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | trans | -70.6 | 149.5 | -177.6 | 31.2 | -34.1 | 0 | 0 | 0 | 110.6 | N630 | N630-P632 WeakPolarHBondContact O-CD 3.43Š| ||
| 633 | P | 89.9 | Confident | 88.4 | Confident | 101 Ų | 101 | 69.6 Ų | 69.6 | 66% | 0.656 | 38% | 0.376 | S | S | * | . | trans | -60.1 | 140 | 168.5 | -20.5 | 32 | 0 | 0 | 0 | 111.2 | A746 | P633-A746 CarbonylContact C-O 3.6Å; P633-A746 VanDerWaalsContact CA-O 3.31Å; P633-A746 WeakPolarHBondContact CA-O 3.48Å | ||
| 634 | E | 92.5 | Very high | 88.9 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 32% | 0.322 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139.1 | -178.7 | -175 | 176.3 | -178.4 | 0 | 0 | 110.7 | F636 R700 C745 A746 | E634-F636 HydrophobicContact CB-CE2 3.83Å; E634-F636 HydrophobicContact CB-CZ 4.37Å; E634-F636 HydrophobicContact CG-CD2 4.3Å; E634-F636 HydrophobicContact CG-CE2 3.68Å; E634-F636 HydrophobicContact CG-CZ 3.9Å; E634-F636 WeakPolarHBondContact OE2-CZ 3.18Å; E634-R700 IonicContact OE1-CZ 2.58Å; E634-R700 IonicContact OE1-NH1 3.79Å; E634-R700 PolarHBondContact OE1-NH1 3.29Å; E634-R700 IonicContact OE1-NH2 3.54Å; E634-R700 PolarHBondContact OE1-NH2 2.65Å; E634-C745 CarbonylContact O-C 3.58Å; E634-C745 WeakPolarHBondContact O-CA 3.29Å; E634-A746 PolarHBondContact N-O 3.11Å; E634-A746 PolarHBondContact O-N 3.03Å |
| 635 | A | 94.4 | Very high | 89.4 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 62% | 0.62 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 132.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | R700 | A635-R700 PolarHBondContact O-NH2 3.09Å |
| 636 | F | 95.3 | Very high | 90 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 1% | 0.013 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 121.2 | 176 | -66.8 | -94.8 | 0 | 0 | 0 | 108.9 | E634 Q638 G696 V697 P698 R700 P743 V744 A746 | E634-F636 HydrophobicContact CB-CE2 3.83Å; E634-F636 HydrophobicContact CB-CZ 4.37Å; E634-F636 HydrophobicContact CG-CD2 4.3Å; E634-F636 HydrophobicContact CG-CE2 3.68Å; E634-F636 HydrophobicContact CG-CZ 3.9Å; E634-F636 WeakPolarHBondContact OE2-CZ 3.18Å; F636-Q638 VanDerWaalsContact C-N 3.3Å; F636-Q638 PolarHBondContact O-N 3.47Å; F636-G696 WeakPolarHBondContact CD1-O 3.43Å; F636-V697 HydrophobicContact CB-CG1 4.02Å; F636-V697 HydrophobicContact CD1-CG1 3.78Å; F636-V697 HydrophobicContact CD2-CG1 3.76Å; F636-V697 HydrophobicContact CE1-CG1 4.18Å; F636-V697 HydrophobicContact CE2-CG1 4.15Å; F636-V697 HydrophobicContact CG-CG1 3.57Å; F636-V697 HydrophobicContact CZ-CG1 4.35Å; F636-P698 WeakPolarHBondContact CE1-O 3.28Å; F636-P698 WeakPolarHBondContact CZ-O 3.38Å; F636-R700 HydrophobicContact CD1-CG 3.84Å; F636-R700 HydrophobicContact CE1-CG 4.06Å; F636-P743 CarbonylContact O-C 3.55Å; F636-P743 WeakPolarHBondContact O-CA 3.48Å; F636-V744 HydrophobicContact CB-CG2 3.89Å; F636-V744 HydrophobicContact CD2-CG2 4.5Å; F636-V744 PolarHBondContact N-O 3.19Å; F636-V744 PolarHBondContact O-N 3.12Å; F636-A746 HydrophobicContact CD2-CB 4.08Å; F636-A746 HydrophobicContact CE2-CB 3.76Å |
| 637 | E | 94.1 | Very high | 90.7 | Very high | 166 Ų | 166 | 56.5 Ų | 56.5 | 78% | 0.776 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | -34 | -176.5 | -64 | 179.3 | 176.3 | 0 | 0 | 112.7 | P743 | E637-P743 WeakPolarHBondContact O-CA 3.33Å; E637-P743 WeakPolarHBondContact O-CB 3.31Å |
| 638 | Q | 93.8 | Very high | 91.2 | Very high | 91 Ų | 91 | 51.4 Ų | 51.4 | 43% | 0.425 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 133.7 | -178.9 | -73.8 | -65.8 | -29.2 | 0 | 0 | 110.6 | F636 | F636-Q638 VanDerWaalsContact C-N 3.3Å; F636-Q638 PolarHBondContact O-N 3.47Å |
| 639 | C | 97 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 164.5 | 168.3 | 72.7 | 0 | 0 | 0 | 0 | 108.3 | S695 V697 S741 G742 V744 | C639-S695 VanDerWaalsContact CA-O 3.28Å; C639-S695 WeakPolarHBondContact CA-O 3.37Å; C639-S695 VanDerWaalsContact CB-O 3.22Å; C639-S695 WeakPolarHBondContact CB-O 3.44Å; C639-V697 HydrophobicContact CB-CG1 4.1Å; C639-S741 WeakPolarHBondContact O-CA 3.26Å; C639-G742 PolarHBondContact N-O 2.77Å; C639-G742 PolarHBondContact O-N 3.44Å; C639-G742 PolarHBondContact SG-O 3.24Å; C639-V744 HydrophobicContact CB-CG2 4.19Å; C639-V744 WeakPolarHBondContact SG-CG1 3.49Å; C639-V744 WeakPolarHBondContact SG-CG2 3.34Å |
| 640 | T | 97.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 131 | 164.2 | -62.7 | 0 | 0 | 0 | 0 | 108.7 | A694 S695 H705 A706 I709 H740 S741 T784 | T640-A694 WeakPolarHBondContact O-CA 3.22Å; T640-S695 PolarHBondContact N-O 2.81Å; T640-S695 PolarHBondContact O-N 3.38Å; T640-H705 PolarHBondContact N-ND1 3.17Å; T640-H705 PolarHBondContact OG1-ND1 3.05Å; T640-A706 VanDerWaalsContact OG1-CA 3.26Å; T640-A706 WeakPolarHBondContact OG1-CA 3.3Å; T640-A706 PolarHBondContact OG1-N 3.3Å; T640-I709 HydrophobicContact CG2-CB 3.81Å; T640-I709 HydrophobicContact CG2-CG1 4Å; T640-I709 HydrophobicContact CG2-CG2 3.75Å; T640-H740 WeakPolarHBondContact CA-O 3.41Å; T640-S741 PolarHBondContact OG1-OG 2.99Å; T640-T784 HydrophobicContact CG2-CG2 4.33Å |
| 641 | I | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 134.3 | 176.7 | -59.4 | 178.5 | 0 | 0 | 0 | 109.3 | F643 M692 A694 L739 H740 V744 L758 T762 V763 A766 | I641-F643 HydrophobicContact CG2-CD2 3.62Å; I641-F643 HydrophobicContact CG2-CE2 3.52Å; I641-M692 HydrophobicContact CD1-CE 4.12Å; I641-M692 HydrophobicContact CG2-CE 3.71Å; I641-M692 HydrophobicContact CG2-CG 4.26Å; I641-A694 HydrophobicContact CG1-CB 4.29Å; I641-L739 WeakPolarHBondContact O-CA 3.47Å; I641-H740 PolarHBondContact N-O 2.64Å; I641-H740 PolarHBondContact O-N 3.22Å; I641-V744 HydrophobicContact CD1-CG1 3.97Å; I641-L758 HydrophobicContact CD1-CD1 4.42Å; I641-T762 HydrophobicContact CD1-CG2 3.95Å; I641-T762 HydrophobicContact CG1-CG2 4.36Å; I641-V763 HydrophobicContact CD1-CB 4.22Å; I641-V763 HydrophobicContact CD1-CG2 3.66Å; I641-A766 HydrophobicContact CB-CB 3.8Å; I641-A766 HydrophobicContact CG2-CB 3.79Å |
| 642 | Y | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.9 | 167.1 | 172.7 | -84.3 | 0 | 0 | 0 | 109.5 | S644 Y691 M692 V693 M712 S713 L716 V737 L739 | Y642-S644 VanDerWaalsContact CE1-OG 3.25Å; Y642-S644 WeakPolarHBondContact CE1-OG 3.36Å; Y642-S644 WeakPolarHBondContact OH-CB 3.46Å; Y642-S644 PolarHBondContact OH-OG 2.75Å; Y642-S644 VanDerWaalsContact OH-OG 3.06Å; Y642-Y691 WeakPolarHBondContact CD1-O 3.3Å; Y642-Y691 HydrophobicContact CE1-CD1 4.02Å; Y642-Y691 WeakPolarHBondContact CE1-O 3.47Å; Y642-M692 WeakPolarHBondContact O-CA 3.46Å; Y642-V693 WeakPolarHBondContact CB-O 3.25Å; Y642-V693 HydrophobicContact CD1-CB 4.25Å; Y642-V693 HydrophobicContact CD1-CG2 4.33Å; Y642-V693 PolarHBondContact N-O 3.4Å; Y642-V693 PolarHBondContact O-N 2.91Å; Y642-V693 VanDerWaalsContact O-N 3.08Å; Y642-M712 HydrophobicContact CD1-CE 4.09Å; Y642-M712 HydrophobicContact CD2-CE 3.51Å; Y642-M712 HydrophobicContact CE2-CE 4.03Å; Y642-M712 HydrophobicContact CG-CE 3.54Å; Y642-S713 WeakPolarHBondContact CD2-OG 3.4Å; Y642-S713 WeakPolarHBondContact CE2-OG 3.38Å; Y642-L716 HydrophobicContact CE1-CD1 4.17Å; Y642-L716 HydrophobicContact CE2-CD1 4.03Å; Y642-L716 WeakPolarHBondContact OH-CD1 3.47Å; Y642-V737 HydrophobicContact CD2-CG1 3.61Å; Y642-V737 HydrophobicContact CE2-CB 4.21Å; Y642-V737 HydrophobicContact CE2-CG1 3.29Å; Y642-V737 HydrophobicContact CE2-CG2 3.84Å; Y642-L739 HydrophobicContact CD2-CD2 3.73Å; Y642-L739 HydrophobicContact CG-CD2 4.29Å |
| 643 | F | 95.4 | Very high | 93.4 | Very high | 19 Ų | 19 | 44.1 Ų | 44.1 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.7 | 161.1 | -85.8 | -88.2 | 0 | 0 | 0 | 109.2 | I641 M692 V737 G738 V763 A766 E770 | I641-F643 HydrophobicContact CG2-CD2 3.62Å; I641-F643 HydrophobicContact CG2-CE2 3.52Å; F643-M692 HydrophobicContact CD1-CB 4.36Å; F643-M692 HydrophobicContact CD1-CG 4.36Å; F643-M692 HydrophobicContact CD2-CG 4.49Å; F643-M692 HydrophobicContact CE1-CB 4.07Å; F643-M692 HydrophobicContact CE1-CG 3.89Å; F643-M692 HydrophobicContact CE1-SD 3.98Å; F643-M692 HydrophobicContact CE2-CE 3.94Å; F643-M692 HydrophobicContact CE2-CG 4.07Å; F643-M692 HydrophobicContact CE2-SD 4.15Å; F643-M692 HydrophobicContact CZ-CB 4.42Å; F643-M692 HydrophobicContact CZ-CE 3.83Å; F643-M692 HydrophobicContact CZ-CG 3.74Å; F643-M692 HydrophobicContact CZ-SD 3.5Å; F643-M692 VanDerWaalsContact CZ-SD 3.5Å; F643-V737 CarbonylContact O-C 3.34Å; F643-V737 WeakPolarHBondContact O-CA 3.27Å; F643-G738 PolarHBondContact N-O 3.05Å; F643-G738 PolarHBondContact O-N 3.25Å; F643-V763 HydrophobicContact CE2-CG1 3.97Å; F643-V763 WeakPolarHBondContact CE2-O 3.39Å; F643-V763 HydrophobicContact CZ-CG1 3.8Å; F643-A766 HydrophobicContact CD2-CB 3.57Å; F643-A766 HydrophobicContact CE2-CB 3.92Å; F643-E770 HydrophobicContact CB-CB 3.7Å; F643-E770 HydrophobicContact CB-CG 4.04Å |
| 644 | S | 94 | Very high | 93.5 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 158.6 | 161.8 | 67 | 0 | 0 | 0 | 0 | 112.3 | Y642 A690 Y691 R736 | Y642-S644 VanDerWaalsContact CE1-OG 3.25Å; Y642-S644 WeakPolarHBondContact CE1-OG 3.36Å; Y642-S644 WeakPolarHBondContact OH-CB 3.46Å; Y642-S644 PolarHBondContact OH-OG 2.75Å; Y642-S644 VanDerWaalsContact OH-OG 3.06Å; S644-A690 CarbonylContact O-C 3.57Å; S644-A690 WeakPolarHBondContact O-CA 3.46Å; S644-Y691 PolarHBondContact N-O 3.42Å; S644-Y691 VanDerWaalsContact N-O 3.07Å; S644-Y691 PolarHBondContact O-N 3.4Å; S644-Y691 WeakPolarHBondContact OG-CB 3.38Å; S644-R736 WeakPolarHBondContact CA-O 3.47Å; S644-R736 VanDerWaalsContact CB-O 3.3Å; S644-R736 WeakPolarHBondContact CB-O 3.22Å |
| 645 | D | 93.6 | Very high | 93.5 | Very high | 24 Ų | 24 | 44 Ų | 44 | 13% | 0.128 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 148.2 | -177 | -178.9 | 72 | 0 | 0 | 0 | 108.7 | D689 I735 R736 E770 | D645-D689 VanDerWaalsContact OD1-OD2 3.14Å; D645-I735 WeakPolarHBondContact O-CA 3.41Å; D645-R736 HydrophobicContact CB-CG 4.07Å; D645-R736 PolarHBondContact N-O 3.44Å; D645-R736 PolarHBondContact O-N 3.06Å; D645-R736 VanDerWaalsContact O-N 3.13Å; D645-R736 IonicContact OD2-CZ 2.73Å; D645-R736 VanDerWaalsContact OD2-CZ 3.28Å; D645-R736 IonicContact OD2-NE 3.41Å; D645-R736 PolarHBondContact OD2-NE 3.03Å; D645-R736 IonicContact OD2-NH2 3.36Å; D645-R736 PolarHBondContact OD2-NH2 3.5Å; D645-E770 VanDerWaalsContact CB-CD 3.5Å; D645-E770 HydrophobicContact CB-CG 4.06Å; D645-E770 WeakPolarHBondContact CB-OE1 3.47Å |
| 646 | I | 93.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 112.7 | -179.7 | -62.2 | 172 | 0 | 0 | 0 | 108 | G648 F649 I652 F664 L665 L668 D689 L733 | I646-G648 PolarHBondContact O-N 3.35Å; I646-G648 VanDerWaalsContact O-N 3.09Å; I646-F649 HydrophobicContact CB-CB 3.92Å; I646-F649 HydrophobicContact CB-CD2 4.19Å; I646-F649 HydrophobicContact CB-CG 4.4Å; I646-F649 HydrophobicContact CD1-CD2 3.98Å; I646-F649 HydrophobicContact CD1-CE2 4.39Å; I646-F649 HydrophobicContact CG2-CB 4.04Å; I646-F649 HydrophobicContact CG2-CD2 4.19Å; I646-F649 WeakPolarHBondContact O-CB 3.26Å; I646-F649 PolarHBondContact O-N 3.09Å; I646-I652 HydrophobicContact CG2-CD1 4.41Å; I646-F664 HydrophobicContact CD1-CE1 4.37Å; I646-F664 HydrophobicContact CD1-CZ 4.02Å; I646-L665 HydrophobicContact CD1-CD2 4.07Å; I646-L668 HydrophobicContact CD1-CD2 3.57Å; I646-L668 HydrophobicContact CG1-CD2 4.28Å; I646-D689 HydrophobicContact CB-CB 4.36Å; I646-D689 HydrophobicContact CD1-CB 4.1Å; I646-D689 HydrophobicContact CG1-CB 4.32Å; I646-D689 PolarHBondContact N-OD2 3.36Å; I646-L733 HydrophobicContact CD1-CD1 4.41Å; I646-L733 HydrophobicContact CG1-CD1 4.34Å; I646-L733 HydrophobicContact CG2-CD1 3.75Å |
| 647 | V | 93 | Very high | 93.4 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 32% | 0.315 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 116.6 | -178.8 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | K734 R736 A775 | V647-K734 HydrophobicContact CB-CB 3.84Å; V647-K734 HydrophobicContact CG2-CB 4.35Å; V647-K734 PolarHBondContact N-O 3.18Å; V647-R736 HydrophobicContact CG2-CB 4.02Å; V647-R736 HydrophobicContact CG2-CG 3.9Å; V647-A775 HydrophobicContact CG2-CB 4.09Å |
| 648 | G | 91.1 | Very high | 93.3 | Very high | 38 Ų | 38 | 41.4 Ų | 41.4 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 13.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I646 T650 T651 I652 | I646-G648 PolarHBondContact O-N 3.35Å; I646-G648 VanDerWaalsContact O-N 3.09Å; G648-T650 VanDerWaalsContact C-N 3.3Å; G648-T650 PolarHBondContact O-N 3.06Å; G648-T651 WeakPolarHBondContact O-CB 3.45Å; G648-T651 PolarHBondContact O-N 3.27Å; G648-I652 PolarHBondContact O-N 2.9Å; G648-I652 VanDerWaalsContact O-N 3.07Å |
| 649 | F | 91.4 | Very high | 93.3 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 11% | 0.114 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.8 | -40.5 | -179.4 | -174.4 | -106.8 | 0 | 0 | 0 | 114.2 | I646 T651 I652 S653 V661 F664 L665 D689 | I646-F649 HydrophobicContact CB-CB 3.92Å; I646-F649 HydrophobicContact CB-CD2 4.19Å; I646-F649 HydrophobicContact CB-CG 4.4Å; I646-F649 HydrophobicContact CD1-CD2 3.98Å; I646-F649 HydrophobicContact CD1-CE2 4.39Å; I646-F649 HydrophobicContact CG2-CB 4.04Å; I646-F649 HydrophobicContact CG2-CD2 4.19Å; I646-F649 WeakPolarHBondContact O-CB 3.26Å; I646-F649 PolarHBondContact O-N 3.09Å; F649-T651 VanDerWaalsContact C-N 3.25Å; F649-T651 PolarHBondContact O-N 3.07Å; F649-I652 PolarHBondContact O-N 2.78Å; F649-S653 WeakPolarHBondContact O-CB 3.31Å; F649-S653 PolarHBondContact O-N 3.47Å; F649-S653 PolarHBondContact O-OG 3.33Å; F649-V661 HydrophobicContact CE2-CG1 4.47Å; F649-V661 HydrophobicContact CZ-CG1 4Å; F649-F664 HydrophobicContact CD2-CE1 4.36Å; F649-F664 HydrophobicContact CE2-CE1 4.22Å; F649-L665 HydrophobicContact CE2-CD1 4.44Å; F649-L665 HydrophobicContact CE2-CD2 3.83Å; F649-L665 HydrophobicContact CE2-CG 4.33Å; F649-L665 HydrophobicContact CZ-CD1 4.09Å; F649-L665 HydrophobicContact CZ-CD2 4.26Å; F649-L665 HydrophobicContact CZ-CG 4.47Å; F649-D689 HydrophobicContact CB-CB 4.15Å; F649-D689 WeakPolarHBondContact CB-OD2 2.86Å; F649-D689 HydrophobicContact CD1-CB 3.53Å; F649-D689 VanDerWaalsContact CD1-CG 3.42Å; F649-D689 HydrophobicContact CD2-CB 3.76Å; F649-D689 HydrophobicContact CE1-CB 3.79Å; F649-D689 HydrophobicContact CE2-CB 4Å; F649-D689 HydrophobicContact CG-CB 3.52Å; F649-D689 WeakPolarHBondContact CG-OD2 3.48Å; F649-D689 HydrophobicContact CZ-CB 4.02Å |
| 650 | T | 89.9 | Confident | 93.2 | Very high | 110 Ų | 110 | 48.7 Ų | 48.7 | 68% | 0.675 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.5 | -40.2 | 176.2 | -47.7 | 0 | 0 | 0 | 0 | 111.6 | G648 S653 S654 | G648-T650 VanDerWaalsContact C-N 3.3Å; G648-T650 PolarHBondContact O-N 3.06Å; T650-S653 WeakPolarHBondContact CA-OG 3.47Å; T650-S653 PolarHBondContact O-OG 3.11Å; T650-S653 VanDerWaalsContact O-OG 3.09Å; T650-S654 WeakPolarHBondContact O-CB 3.46Å; T650-S654 PolarHBondContact O-N 2.86Å; T650-S654 PolarHBondContact O-OG 2.89Å |
| 651 | T | 91.3 | Very high | 92.9 | Very high | 97 Ų | 97 | 49.8 Ų | 49.8 | 60% | 0.595 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.7 | -47.8 | 176.9 | -51.8 | 0 | 0 | 0 | 0 | 110.8 | G648 F649 S654 S655 | G648-T651 WeakPolarHBondContact O-CB 3.45Å; G648-T651 PolarHBondContact O-N 3.27Å; F649-T651 VanDerWaalsContact C-N 3.25Å; F649-T651 PolarHBondContact O-N 3.07Å; T651-S654 PolarHBondContact O-N 2.9Å; T651-S654 PolarHBondContact O-OG 3.04Å; T651-S655 PolarHBondContact O-N 3.16Å; T651-S655 PolarHBondContact O-OG 3.1Å |
| 652 | I | 90.4 | Very high | 92.7 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 6% | 0.062 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.1 | -56.7 | 178.3 | -63.3 | 168.4 | 0 | 0 | 0 | 109.3 | I646 G648 F649 S654 S655 S656 F664 I725 K728 | I646-I652 HydrophobicContact CG2-CD1 4.41Å; G648-I652 PolarHBondContact O-N 2.9Å; G648-I652 VanDerWaalsContact O-N 3.07Å; F649-I652 PolarHBondContact O-N 2.78Å; I652-S654 PolarHBondContact O-N 3.46Å; I652-S655 CarbonylContact O-C 3.5Å; I652-S655 PolarHBondContact O-N 2.91Å; I652-S655 PolarHBondContact O-OG 3.31Å; I652-S656 WeakPolarHBondContact O-CB 3.24Å; I652-S656 PolarHBondContact O-N 3.17Å; I652-S656 PolarHBondContact O-OG 3.29Å; I652-F664 HydrophobicContact CG2-CD1 4.44Å; I652-F664 HydrophobicContact CG2-CE1 4.22Å; I652-I725 HydrophobicContact CD1-CD1 4.05Å; I652-K728 HydrophobicContact CG2-CD 4.36Å |
| 653 | S | 90.4 | Very high | 92.4 | Very high | 36 Ų | 36 | 60.1 Ų | 60.1 | 25% | 0.252 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.3 | -38 | -179.8 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | F649 T650 S655 S656 | F649-S653 WeakPolarHBondContact O-CB 3.31Å; F649-S653 PolarHBondContact O-N 3.47Å; F649-S653 PolarHBondContact O-OG 3.33Å; T650-S653 WeakPolarHBondContact CA-OG 3.47Å; T650-S653 PolarHBondContact O-OG 3.11Å; T650-S653 VanDerWaalsContact O-OG 3.09Å; S653-S655 PolarHBondContact O-N 3.15Å; S653-S656 PolarHBondContact O-N 2.7Å |
| 654 | S | 91.8 | Very high | 92.3 | Very high | 98 Ų | 98 | 59.2 Ų | 59.2 | 69% | 0.685 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66 | -23.1 | 176.8 | 71.2 | 0 | 0 | 0 | 0 | 113.8 | T650 T651 I652 | T650-S654 WeakPolarHBondContact O-CB 3.46Å; T650-S654 PolarHBondContact O-N 2.86Å; T650-S654 PolarHBondContact O-OG 2.89Å; T651-S654 PolarHBondContact O-N 2.9Å; T651-S654 PolarHBondContact O-OG 3.04Å; I652-S654 PolarHBondContact O-N 3.46Å |
| 655 | S | 92.6 | Very high | 92.1 | Very high | 69 Ų | 69 | 60.5 Ų | 60.5 | 48% | 0.483 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 8.5 | -178 | 71.7 | 0 | 0 | 0 | 0 | 113.7 | T651 I652 S653 K728 | T651-S655 PolarHBondContact O-N 3.16Å; T651-S655 PolarHBondContact O-OG 3.1Å; I652-S655 CarbonylContact O-C 3.5Å; I652-S655 PolarHBondContact O-N 2.91Å; I652-S655 PolarHBondContact O-OG 3.31Å; S653-S655 PolarHBondContact O-N 3.15Å; S655-K728 WeakPolarHBondContact OG-CE 3.29Å; S655-K728 PolarHBondContact OG-NZ 3.05Å |
| 656 | S | 92.5 | Very high | 92 | Very high | 17 Ų | 17 | 64.5 Ų | 64.5 | 12% | 0.119 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -128.2 | 151.3 | -176.3 | -59.3 | 0 | 0 | 0 | 0 | 110.4 | I652 S653 H727 K728 | I652-S656 WeakPolarHBondContact O-CB 3.24Å; I652-S656 PolarHBondContact O-N 3.17Å; I652-S656 PolarHBondContact O-OG 3.29Å; S653-S656 PolarHBondContact O-N 2.7Å; S656-H727 WeakPolarHBondContact CB-NE2 3.45Å; S656-H727 PolarHBondContact OG-CD2 2.91Å; S656-H727 PolarHBondContact OG-NE2 2.75Å; S656-K728 WeakPolarHBondContact OG-CE 3.36Å |
| 657 | T | 94.4 | Very high | 92 | Very high | 67 Ų | 67 | 68 Ų | 68 | 41% | 0.411 | 39% | 0.393 | S | S | . | . | trans | -71 | 155.8 | 173.5 | 65.3 | 0 | 0 | 0 | 0 | 110.8 | F659 E660 V661 | T657-F659 PolarHBondContact O-N 3.35Å; T657-E660 WeakPolarHBondContact CB-OE2 3.4Å; T657-E660 WeakPolarHBondContact CG2-OE2 3.46Å; T657-E660 PolarHBondContact N-OE2 2.96Å; T657-E660 PolarHBondContact O-N 2.96Å; T657-E660 VanDerWaalsContact O-N 3.11Å; T657-E660 WeakPolarHBondContact OG1-CB 3.44Å; T657-E660 VanDerWaalsContact OG1-CD 3.23Å; T657-E660 WeakPolarHBondContact OG1-CG 3.35Å; T657-E660 PolarHBondContact OG1-N 2.81Å; T657-E660 PolarHBondContact OG1-OE2 2.81Å; T657-V661 WeakPolarHBondContact O-CG2 3.49Å; T657-V661 PolarHBondContact O-N 2.68Å | ||
| 658 | P | 92.7 | Very high | 91.9 | Very high | 106 Ų | 106 | 65.6 Ų | 65.6 | 69% | 0.688 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -54.9 | -36.1 | 175.4 | -28.1 | 35.8 | 0 | 0 | 0 | 113.7 | V661 V662 | P658-V661 PolarHBondContact O-N 2.74Å; P658-V662 VanDerWaalsContact O-CG2 3.28Å; P658-V662 WeakPolarHBondContact O-CG2 3.34Å; P658-V662 PolarHBondContact O-N 2.68Å |
| 659 | F | 93.4 | Very high | 91.9 | Very high | 179 Ų | 179 | 65 Ų | 65 | 79% | 0.785 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.7 | -45.4 | 176.5 | -70 | -75.6 | 0 | 0 | 0 | 112 | T657 V661 V662 E663 | T657-F659 PolarHBondContact O-N 3.35Å; F659-V661 VanDerWaalsContact C-N 3.34Å; F659-V661 PolarHBondContact O-N 2.88Å; F659-V662 PolarHBondContact O-N 3.17Å; F659-E663 PolarHBondContact O-N 2.92Å |
| 660 | E | 94.6 | Very high | 91.9 | Very high | 65 Ų | 65 | 66.9 Ų | 66.9 | 30% | 0.304 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.5 | -37.1 | 177.8 | -74.9 | 166.8 | 149.3 | 0 | 0 | 112.5 | T657 F664 H727 | T657-E660 WeakPolarHBondContact CB-OE2 3.4Å; T657-E660 WeakPolarHBondContact CG2-OE2 3.46Å; T657-E660 PolarHBondContact N-OE2 2.96Å; T657-E660 PolarHBondContact O-N 2.96Å; T657-E660 VanDerWaalsContact O-N 3.11Å; T657-E660 WeakPolarHBondContact OG1-CB 3.44Å; T657-E660 VanDerWaalsContact OG1-CD 3.23Å; T657-E660 WeakPolarHBondContact OG1-CG 3.35Å; T657-E660 PolarHBondContact OG1-N 2.81Å; T657-E660 PolarHBondContact OG1-OE2 2.81Å; E660-F664 VanDerWaalsContact O-CB 3.23Å; E660-F664 WeakPolarHBondContact O-CB 3.08Å; E660-F664 PolarHBondContact O-N 2.69Å; E660-H727 HydrophobicContact CB-CB 4.11Å; E660-H727 HydrophobicContact CG-CB 3.81Å; E660-H727 PolarHBondContact O-CE1 2.92Å; E660-H727 PolarHBondContact O-ND1 3.09Å |
| 661 | V | 91.9 | Very high | 92 | Very high | 22 Ų | 22 | 65 Ų | 65 | 13% | 0.133 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 175.1 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | F649 T657 P658 F659 F664 L665 | F649-V661 HydrophobicContact CE2-CG1 4.47Å; F649-V661 HydrophobicContact CZ-CG1 4Å; T657-V661 WeakPolarHBondContact O-CG2 3.49Å; T657-V661 PolarHBondContact O-N 2.68Å; P658-V661 PolarHBondContact O-N 2.74Å; F659-V661 VanDerWaalsContact C-N 3.34Å; F659-V661 PolarHBondContact O-N 2.88Å; V661-F664 PolarHBondContact O-N 3.45Å; V661-L665 HydrophobicContact CG1-CD1 4.08Å; V661-L665 HydrophobicContact CG1-CG 4.44Å; V661-L665 WeakPolarHBondContact O-CB 3.34Å; V661-L665 WeakPolarHBondContact O-CG 3.37Å; V661-L665 PolarHBondContact O-N 3.12Å |
| 662 | V | 91.2 | Very high | 92.1 | Very high | 100 Ų | 100 | 60.5 Ų | 60.5 | 61% | 0.606 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.7 | -44.7 | 177.7 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | P658 F659 F664 L665 N666 | P658-V662 VanDerWaalsContact O-CG2 3.28Å; P658-V662 WeakPolarHBondContact O-CG2 3.34Å; P658-V662 PolarHBondContact O-N 2.68Å; F659-V662 PolarHBondContact O-N 3.17Å; V662-F664 PolarHBondContact O-N 3.37Å; V662-L665 PolarHBondContact O-N 2.98Å; V662-N666 WeakPolarHBondContact O-CB 3.46Å; V662-N666 PolarHBondContact O-N 3.44Å |
| 663 | E | 92.1 | Very high | 92.1 | Very high | 118 Ų | 118 | 62.3 Ų | 62.3 | 55% | 0.551 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.7 | -42.8 | 177.3 | -175.4 | 177.3 | -157.7 | 0 | 0 | 111.9 | F659 N666 K667 P726 | F659-E663 PolarHBondContact O-N 2.92Å; E663-N666 PolarHBondContact O-N 3.07Å; E663-K667 WeakPolarHBondContact O-CB 3.23Å; E663-K667 PolarHBondContact O-N 3.26Å; E663-P726 HydrophobicContact CG-CG 4.5Å |
| 664 | F | 92.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.3 | -54.4 | 175.2 | 165.6 | -143 | 0 | 0 | 0 | 111.8 | I646 F649 I652 E660 V661 V662 N666 K667 L668 F723 I725 L733 | I646-F664 HydrophobicContact CD1-CE1 4.37Å; I646-F664 HydrophobicContact CD1-CZ 4.02Å; F649-F664 HydrophobicContact CD2-CE1 4.36Å; F649-F664 HydrophobicContact CE2-CE1 4.22Å; I652-F664 HydrophobicContact CG2-CD1 4.44Å; I652-F664 HydrophobicContact CG2-CE1 4.22Å; E660-F664 VanDerWaalsContact O-CB 3.23Å; E660-F664 WeakPolarHBondContact O-CB 3.08Å; E660-F664 PolarHBondContact O-N 2.69Å; V661-F664 PolarHBondContact O-N 3.45Å; V662-F664 PolarHBondContact O-N 3.37Å; F664-N666 VanDerWaalsContact C-N 3.32Å; F664-N666 PolarHBondContact O-N 3.22Å; F664-K667 PolarHBondContact O-N 3.26Å; F664-L668 HydrophobicContact CE2-CB 4.34Å; F664-L668 HydrophobicContact CE2-CD2 4.19Å; F664-L668 HydrophobicContact CZ-CD2 4.41Å; F664-L668 WeakPolarHBondContact O-CB 3.37Å; F664-L668 PolarHBondContact O-N 2.96Å; F664-F723 AromaticContact CD2-CE1 3.66Å; F664-F723 HydrophobicContact CD2-CE1 3.66Å; F664-F723 HydrophobicContact CD2-CZ 4.07Å; F664-F723 HydrophobicContact CE2-CD1 4.25Å; F664-F723 AromaticContact CE2-CE1 3.48Å; F664-F723 HydrophobicContact CE2-CE1 3.48Å; F664-F723 VanDerWaalsContact CE2-CE1 3.48Å; F664-F723 HydrophobicContact CE2-CZ 4.15Å; F664-I725 HydrophobicContact CB-CG2 4.39Å; F664-I725 HydrophobicContact CD1-CG2 4.23Å; F664-I725 HydrophobicContact CD2-CB 4.46Å; F664-I725 HydrophobicContact CD2-CG1 4.28Å; F664-I725 HydrophobicContact CD2-CG2 3.96Å; F664-I725 HydrophobicContact CE1-CD1 4.49Å; F664-I725 HydrophobicContact CE2-CD1 4.37Å; F664-I725 HydrophobicContact CE2-CG1 3.88Å; F664-I725 HydrophobicContact CE2-CG2 4.35Å; F664-I725 HydrophobicContact CG-CG2 3.93Å; F664-I725 HydrophobicContact CZ-CD1 4.11Å; F664-I725 HydrophobicContact CZ-CG1 4.14Å; F664-L733 HydrophobicContact CE2-CD1 4.05Å; F664-L733 HydrophobicContact CZ-CD1 3.65Å |
| 665 | L | 91.4 | Very high | 92.1 | Very high | 30 Ų | 30 | 60.5 Ų | 60.5 | 16% | 0.157 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 180 | -70.4 | 178.1 | 0 | 0 | 0 | 111.6 | I646 F649 V661 V662 L668 Y669 | I646-L665 HydrophobicContact CD1-CD2 4.07Å; F649-L665 HydrophobicContact CE2-CD1 4.44Å; F649-L665 HydrophobicContact CE2-CD2 3.83Å; F649-L665 HydrophobicContact CE2-CG 4.33Å; F649-L665 HydrophobicContact CZ-CD1 4.09Å; F649-L665 HydrophobicContact CZ-CD2 4.26Å; F649-L665 HydrophobicContact CZ-CG 4.47Å; V661-L665 HydrophobicContact CG1-CD1 4.08Å; V661-L665 HydrophobicContact CG1-CG 4.44Å; V661-L665 WeakPolarHBondContact O-CB 3.34Å; V661-L665 WeakPolarHBondContact O-CG 3.37Å; V661-L665 PolarHBondContact O-N 3.12Å; V662-L665 PolarHBondContact O-N 2.98Å; L665-L668 PolarHBondContact O-N 3.48Å; L665-Y669 HydrophobicContact CB-CD2 4.23Å; L665-Y669 HydrophobicContact CB-CE2 4.03Å; L665-Y669 HydrophobicContact CD2-CE2 4.07Å; L665-Y669 HydrophobicContact CG-CE2 4.48Å; L665-Y669 WeakPolarHBondContact O-CB 3.4Å; L665-Y669 VanDerWaalsContact O-CD2 3.25Å; L665-Y669 WeakPolarHBondContact O-CD2 3.35Å; L665-Y669 PolarHBondContact O-N 3.5Å |
| 666 | N | 90.7 | Very high | 92.1 | Very high | 108 Ų | 108 | 57.7 Ų | 57.7 | 58% | 0.578 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 177.5 | -174.6 | 68.9 | 0 | 0 | 0 | 111.7 | V662 E663 F664 T670 | V662-N666 WeakPolarHBondContact O-CB 3.46Å; V662-N666 PolarHBondContact O-N 3.44Å; E663-N666 PolarHBondContact O-N 3.07Å; F664-N666 VanDerWaalsContact C-N 3.32Å; F664-N666 PolarHBondContact O-N 3.22Å; N666-T670 VanDerWaalsContact O-CB 3.28Å; N666-T670 WeakPolarHBondContact O-CB 3.49Å; N666-T670 PolarHBondContact O-N 3Å; N666-T670 PolarHBondContact O-OG1 3.32Å |
| 667 | K | 92.2 | Very high | 91.8 | Very high | 78 Ų | 78 | 61.4 Ų | 61.4 | 34% | 0.339 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 176.5 | -174.6 | -175.5 | 176.5 | -169.8 | 0 | 111.6 | E663 F664 Q671 F723 V724 P726 | E663-K667 WeakPolarHBondContact O-CB 3.23Å; E663-K667 PolarHBondContact O-N 3.26Å; F664-K667 PolarHBondContact O-N 3.26Å; K667-Q671 PolarHBondContact O-N 2.8Å; K667-F723 HydrophobicContact CB-CE2 4.48Å; K667-F723 HydrophobicContact CB-CZ 4.13Å; K667-F723 HydrophobicContact CD-CE2 4.26Å; K667-F723 HydrophobicContact CD-CZ 3.96Å; K667-F723 HydrophobicContact CG-CE2 3.95Å; K667-F723 HydrophobicContact CG-CZ 3.92Å; K667-V724 PolarHBondContact NZ-O 3.22Å; K667-P726 HydrophobicContact CD-CG 3.67Å |
| 668 | L | 92.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.5 | -53.3 | 178.5 | 179.2 | 59.2 | 0 | 0 | 0 | 111.5 | I646 F664 L665 T670 Q671 F672 F723 L733 | I646-L668 HydrophobicContact CD1-CD2 3.57Å; I646-L668 HydrophobicContact CG1-CD2 4.28Å; F664-L668 HydrophobicContact CE2-CB 4.34Å; F664-L668 HydrophobicContact CE2-CD2 4.19Å; F664-L668 HydrophobicContact CZ-CD2 4.41Å; F664-L668 WeakPolarHBondContact O-CB 3.37Å; F664-L668 PolarHBondContact O-N 2.96Å; L665-L668 PolarHBondContact O-N 3.48Å; L668-T670 VanDerWaalsContact C-N 3.31Å; L668-T670 PolarHBondContact O-N 2.88Å; L668-Q671 PolarHBondContact O-N 3.43Å; L668-Q671 VanDerWaalsContact O-N 3.16Å; L668-F672 HydrophobicContact CD1-CD1 3.91Å; L668-F672 HydrophobicContact CD1-CE1 3.42Å; L668-F672 VanDerWaalsContact CD1-CE1 3.42Å; L668-F672 HydrophobicContact CD1-CE2 4.2Å; L668-F672 HydrophobicContact CD1-CZ 3.59Å; L668-F672 HydrophobicContact CG-CE1 4.31Å; L668-F672 HydrophobicContact CG-CE2 4.32Å; L668-F672 HydrophobicContact CG-CZ 4.2Å; L668-F672 PolarHBondContact O-N 3.47Å; L668-F723 VanDerWaalsContact CA-CE2 3.49Å; L668-F723 HydrophobicContact CB-CE1 4.45Å; L668-F723 HydrophobicContact CB-CE2 3.98Å; L668-F723 HydrophobicContact CB-CZ 3.79Å; L668-F723 HydrophobicContact CD1-CD2 3.88Å; L668-F723 HydrophobicContact CD1-CE2 3.92Å; L668-F723 HydrophobicContact CD1-CG 4.2Å; L668-F723 HydrophobicContact CD1-CZ 4.25Å; L668-L733 HydrophobicContact CD1-CD2 3.4Å; L668-L733 VanDerWaalsContact CD1-CD2 3.4Å; L668-L733 HydrophobicContact CD2-CD1 4.49Å; L668-L733 HydrophobicContact CD2-CD2 3.98Å; L668-L733 HydrophobicContact CG-CD2 4.32Å |
| 669 | Y | 90.9 | Very high | 91.5 | Very high | 27 Ų | 27 | 61.6 Ų | 61.6 | 11% | 0.106 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.1 | -30.3 | -178.1 | -63.8 | -36.1 | 0 | 0 | 0 | 112.7 | L665 F672 D673 T686 D689 Y691 | L665-Y669 HydrophobicContact CB-CD2 4.23Å; L665-Y669 HydrophobicContact CB-CE2 4.03Å; L665-Y669 HydrophobicContact CD2-CE2 4.07Å; L665-Y669 HydrophobicContact CG-CE2 4.48Å; L665-Y669 WeakPolarHBondContact O-CB 3.4Å; L665-Y669 VanDerWaalsContact O-CD2 3.25Å; L665-Y669 WeakPolarHBondContact O-CD2 3.35Å; L665-Y669 PolarHBondContact O-N 3.5Å; Y669-F672 HydrophobicContact CD1-CD2 4.38Å; Y669-F672 PolarHBondContact O-N 2.96Å; Y669-D673 VanDerWaalsContact O-CB 3.24Å; Y669-D673 WeakPolarHBondContact O-CB 3.21Å; Y669-D673 PolarHBondContact O-N 3.03Å; Y669-T686 HydrophobicContact CE1-CG2 4.38Å; Y669-T686 HydrophobicContact CE2-CG2 4.21Å; Y669-D689 WeakPolarHBondContact OH-CA 3.48Å; Y669-D689 PolarHBondContact OH-O 3.29Å; Y669-D689 VanDerWaalsContact OH-O 3.05Å; Y669-Y691 AromaticContact CD1-CD2 3.41Å; Y669-Y691 HydrophobicContact CD1-CD2 3.41Å; Y669-Y691 VanDerWaalsContact CD1-CD2 3.41Å; Y669-Y691 AromaticContact CD1-CE2 3.67Å; Y669-Y691 HydrophobicContact CD1-CE2 3.67Å; Y669-Y691 HydrophobicContact CD1-CG 4.38Å; Y669-Y691 AromaticContact CE1-CD2 3.44Å; Y669-Y691 HydrophobicContact CE1-CD2 3.44Å; Y669-Y691 VanDerWaalsContact CE1-CD2 3.44Å; Y669-Y691 HydrophobicContact CE1-CE2 4.18Å; Y669-Y691 HydrophobicContact CE1-CG 4.18Å; Y669-Y691 HydrophobicContact CG-CD2 4.36Å; Y669-Y691 HydrophobicContact CG-CE2 4.32Å |
| 670 | T | 90.9 | Very high | 91.3 | Very high | 64 Ų | 64 | 55 Ų | 55 | 39% | 0.393 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 170.9 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | N666 L668 D673 D674 | N666-T670 VanDerWaalsContact O-CB 3.28Å; N666-T670 WeakPolarHBondContact O-CB 3.49Å; N666-T670 PolarHBondContact O-N 3Å; N666-T670 PolarHBondContact O-OG1 3.32Å; L668-T670 VanDerWaalsContact C-N 3.31Å; L668-T670 PolarHBondContact O-N 2.88Å; T670-D673 PolarHBondContact O-N 3.05Å; T670-D674 PolarHBondContact O-N 2.84Å; T670-D674 VanDerWaalsContact O-N 3.08Å |
| 671 | Q | 91.5 | Very high | 91.2 | Very high | 70 Ų | 70 | 53.4 Ų | 53.4 | 33% | 0.327 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68 | -35 | 177.3 | -71 | -169.7 | -0.7 | 0 | 0 | 112.6 | K667 L668 I675 F723 | K667-Q671 PolarHBondContact O-N 2.8Å; L668-Q671 PolarHBondContact O-N 3.43Å; L668-Q671 VanDerWaalsContact O-N 3.16Å; Q671-I675 VanDerWaalsContact O-CD1 3.31Å; Q671-I675 WeakPolarHBondContact O-CD1 3.34Å; Q671-I675 WeakPolarHBondContact O-CG1 3.04Å; Q671-I675 PolarHBondContact O-N 2.72Å; Q671-F723 VanDerWaalsContact OE1-CD2 3.25Å |
| 672 | F | 93.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.5 | -43.5 | 174.3 | -76.1 | 10.9 | 0 | 0 | 0 | 111.2 | L668 Y669 D674 I675 I676 Y691 L716 I735 | L668-F672 HydrophobicContact CD1-CD1 3.91Å; L668-F672 HydrophobicContact CD1-CE1 3.42Å; L668-F672 VanDerWaalsContact CD1-CE1 3.42Å; L668-F672 HydrophobicContact CD1-CE2 4.2Å; L668-F672 HydrophobicContact CD1-CZ 3.59Å; L668-F672 HydrophobicContact CG-CE1 4.31Å; L668-F672 HydrophobicContact CG-CE2 4.32Å; L668-F672 HydrophobicContact CG-CZ 4.2Å; L668-F672 PolarHBondContact O-N 3.47Å; Y669-F672 HydrophobicContact CD1-CD2 4.38Å; Y669-F672 PolarHBondContact O-N 2.96Å; F672-D674 VanDerWaalsContact C-N 3.31Å; F672-D674 PolarHBondContact O-N 2.93Å; F672-I675 WeakPolarHBondContact O-CB 3.09Å; F672-I675 PolarHBondContact O-N 2.92Å; F672-I676 WeakPolarHBondContact O-CG2 3.47Å; F672-I676 PolarHBondContact O-N 3.42Å; F672-Y691 HydrophobicContact CB-CE1 4.06Å; F672-Y691 HydrophobicContact CB-CE2 4.32Å; F672-Y691 AromaticContact CD2-CD1 3.85Å; F672-Y691 HydrophobicContact CD2-CD1 3.85Å; F672-Y691 HydrophobicContact CD2-CD2 4.27Å; F672-Y691 AromaticContact CD2-CE1 3.97Å; F672-Y691 HydrophobicContact CD2-CE1 3.97Å; F672-Y691 HydrophobicContact CD2-CE2 4.38Å; F672-Y691 HydrophobicContact CD2-CG 4Å; F672-L716 HydrophobicContact CB-CD2 3.89Å; F672-L716 HydrophobicContact CD1-CD2 3.5Å; F672-L716 HydrophobicContact CD2-CD2 4.04Å; F672-L716 HydrophobicContact CE1-CD2 3.92Å; F672-L716 HydrophobicContact CE2-CD2 4.43Å; F672-L716 HydrophobicContact CG-CD2 3.55Å; F672-L716 HydrophobicContact CZ-CD2 4.36Å; F672-I735 HydrophobicContact CZ-CD1 4.3Å |
| 673 | D | 90.8 | Very high | 91.1 | Very high | 50 Ų | 50 | 52.6 Ų | 52.6 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.4 | -45.3 | 175.8 | -73.8 | -19.7 | 0 | 0 | 0 | 110.6 | Y669 T670 I675 I676 D677 K683 Y691 | Y669-D673 VanDerWaalsContact O-CB 3.24Å; Y669-D673 WeakPolarHBondContact O-CB 3.21Å; Y669-D673 PolarHBondContact O-N 3.03Å; T670-D673 PolarHBondContact O-N 3.05Å; D673-I675 PolarHBondContact O-N 3.4Å; D673-I676 WeakPolarHBondContact O-CG1 3.25Å; D673-I676 PolarHBondContact O-N 2.99Å; D673-D677 WeakPolarHBondContact O-CB 3.39Å; D673-D677 PolarHBondContact O-N 2.91Å; D673-D677 VanDerWaalsContact O-N 3.07Å; D673-K683 WeakPolarHBondContact OD1-CD 3.42Å; D673-K683 IonicContact OD1-NZ 2.71Å; D673-K683 PolarHBondContact OD1-NZ 3.49Å; D673-K683 IonicContact OD2-NZ 3.01Å; D673-K683 PolarHBondContact OD2-NZ 3.11Å; D673-Y691 PolarHBondContact OD1-OH 2.88Å |
| 674 | D | 91 | Very high | 90.8 | Very high | 89 Ų | 89 | 47.6 Ų | 47.6 | 48% | 0.476 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.6 | -24.8 | 176.1 | -73 | -24.3 | 0 | 0 | 0 | 114.7 | T670 F672 R678 | T670-D674 PolarHBondContact O-N 2.84Å; T670-D674 VanDerWaalsContact O-N 3.08Å; F672-D674 VanDerWaalsContact C-N 3.31Å; F672-D674 PolarHBondContact O-N 2.93Å; D674-R678 PolarHBondContact O-NE 2.7Å; D674-R678 VanDerWaalsContact O-NE 3.11Å |
| 675 | I | 91.3 | Very high | 89.9 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -86.9 | -49.7 | 178.6 | -65.3 | 159.4 | 0 | 0 | 0 | 109.6 | Q671 F672 D673 D677 R678 Y679 D715 L716 V719 | Q671-I675 VanDerWaalsContact O-CD1 3.31Å; Q671-I675 WeakPolarHBondContact O-CD1 3.34Å; Q671-I675 WeakPolarHBondContact O-CG1 3.04Å; Q671-I675 PolarHBondContact O-N 2.72Å; F672-I675 WeakPolarHBondContact O-CB 3.09Å; F672-I675 PolarHBondContact O-N 2.92Å; D673-I675 PolarHBondContact O-N 3.4Å; I675-D677 PolarHBondContact O-N 3.39Å; I675-R678 VanDerWaalsContact O-CB 3.31Å; I675-R678 WeakPolarHBondContact O-CB 3.13Å; I675-R678 WeakPolarHBondContact O-CG 3.45Å; I675-R678 PolarHBondContact O-N 3.24Å; I675-Y679 HydrophobicContact CG2-CE2 4.08Å; I675-Y679 VanDerWaalsContact O-CD2 3.29Å; I675-Y679 WeakPolarHBondContact O-CD2 3.42Å; I675-D715 HydrophobicContact CG2-CB 3.82Å; I675-L716 HydrophobicContact CB-CD2 4.14Å; I675-L716 HydrophobicContact CD1-CD2 3.84Å; I675-L716 HydrophobicContact CG2-CD2 4.09Å; I675-L716 HydrophobicContact CG2-CG 4.35Å; I675-V719 HydrophobicContact CD1-CB 3.85Å; I675-V719 HydrophobicContact CD1-CG1 4.09Å; I675-V719 HydrophobicContact CD1-CG2 3.5Å; I675-V719 VanDerWaalsContact CD1-CG2 3.5Å |
| 676 | I | 91.8 | Very high | 88.5 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 5% | 0.051 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.5 | -29.6 | -176.6 | 66.8 | 163.7 | 0 | 0 | 0 | 112 | F672 D673 R678 Y679 V681 K683 Y691 V693 M712 L716 | F672-I676 WeakPolarHBondContact O-CG2 3.47Å; F672-I676 PolarHBondContact O-N 3.42Å; D673-I676 WeakPolarHBondContact O-CG1 3.25Å; D673-I676 PolarHBondContact O-N 2.99Å; I676-R678 PolarHBondContact O-N 2.93Å; I676-Y679 PolarHBondContact O-N 3.07Å; I676-V681 HydrophobicContact CB-CG2 3.78Å; I676-V681 WeakPolarHBondContact O-CG2 3.45Å; I676-K683 HydrophobicContact CD1-CB 3.95Å; I676-K683 HydrophobicContact CD1-CD 4.34Å; I676-Y691 VanDerWaalsContact CD1-OH 3.32Å; I676-Y691 WeakPolarHBondContact CD1-OH 3.48Å; I676-Y691 HydrophobicContact CG2-CE1 4.25Å; I676-V693 HydrophobicContact CG2-CG2 4.39Å; I676-M712 HydrophobicContact CB-SD 4.26Å; I676-M712 HydrophobicContact CG2-CG 3.91Å; I676-M712 HydrophobicContact CG2-SD 3.52Å; I676-M712 VanDerWaalsContact CG2-SD 3.52Å; I676-L716 HydrophobicContact CG2-CD1 4.47Å |
| 677 | D | 87.8 | Confident | 87 | Confident | 95 Ų | 95 | 52.1 Ų | 52.1 | 51% | 0.508 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -16.6 | 174.4 | -87.1 | -6 | 0 | 0 | 0 | 113.2 | D673 I675 L830 | D673-D677 WeakPolarHBondContact O-CB 3.39Å; D673-D677 PolarHBondContact O-N 2.91Å; D673-D677 VanDerWaalsContact O-N 3.07Å; I675-D677 PolarHBondContact O-N 3.39Å; D677-L830 WeakPolarHBondContact O-CD1 3.35Å |
| 678 | R | 89.3 | Confident | 85.9 | Confident | 132 Ų | 132 | 51.1 Ų | 51.1 | 50% | 0.498 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -9.8 | 177.6 | -53.6 | 174.3 | -165.6 | -179.6 | 1.8 | 113.3 | D674 I675 I676 | D674-R678 PolarHBondContact O-NE 2.7Å; D674-R678 VanDerWaalsContact O-NE 3.11Å; I675-R678 VanDerWaalsContact O-CB 3.31Å; I675-R678 WeakPolarHBondContact O-CB 3.13Å; I675-R678 WeakPolarHBondContact O-CG 3.45Å; I675-R678 PolarHBondContact O-N 3.24Å; I676-R678 PolarHBondContact O-N 2.93Å |
| 679 | Y | 90.9 | Very high | 85.3 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 17% | 0.173 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -118.4 | 156.5 | -172.2 | -64.1 | -79.1 | 0 | 0 | 0 | 111.5 | I675 I676 V681 D711 M712 D715 | I675-Y679 HydrophobicContact CG2-CE2 4.08Å; I675-Y679 VanDerWaalsContact O-CD2 3.29Å; I675-Y679 WeakPolarHBondContact O-CD2 3.42Å; I676-Y679 PolarHBondContact O-N 3.07Å; Y679-V681 PolarHBondContact O-N 3.08Å; Y679-D711 HydrophobicContact CD1-CB 4.28Å; Y679-D711 HydrophobicContact CE1-CB 3.53Å; Y679-M712 HydrophobicContact CD1-CB 4.43Å; Y679-M712 HydrophobicContact CD2-CB 3.78Å; Y679-M712 HydrophobicContact CD2-CG 4.03Å; Y679-M712 HydrophobicContact CE2-CB 4.05Å; Y679-M712 HydrophobicContact CE2-CG 4.44Å; Y679-M712 HydrophobicContact CG-CB 3.99Å; Y679-D715 VanDerWaalsContact OH-CG 3.24Å; Y679-D715 PolarHBondContact OH-OD2 3.08Å |
| 680 | D | 89.9 | Confident | 85 | Confident | 42 Ų | 42 | 52 Ų | 52 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -77.5 | 71.4 | 173.3 | -176.9 | 27 | 0 | 0 | 0 | 110.4 | S695 R699 N701 | D680-S695 WeakPolarHBondContact O-CB 3.16Å; D680-S695 PolarHBondContact O-OG 2.94Å; D680-R699 IonicContact OD1-CZ 3.49Å; D680-R699 IonicContact OD1-NE 3.78Å; D680-R699 IonicContact OD1-NH2 2.74Å; D680-R699 PolarHBondContact OD1-NH2 3.38Å; D680-R699 IonicContact OD2-NH2 2.71Å; D680-N701 WeakPolarHBondContact OD2-CB 3.45Å; D680-N701 PolarHBondContact OD2-ND2 3.43Å |
| 681 | V | 92.3 | Very high | 85 | Confident | 30 Ų | 30 | 49 Ų | 49 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | trans | -136.7 | 157.9 | -173.9 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | I676 Y679 V693 A694 A708 I709 M712 | I676-V681 HydrophobicContact CB-CG2 3.78Å; I676-V681 WeakPolarHBondContact O-CG2 3.45Å; Y679-V681 PolarHBondContact O-N 3.08Å; V681-V693 HydrophobicContact CB-CG1 3.56Å; V681-V693 HydrophobicContact CG1-CG1 4.24Å; V681-V693 HydrophobicContact CG2-CG1 3.78Å; V681-A694 CarbonylContact C-O 3.44Å; V681-A694 WeakPolarHBondContact CA-O 3.35Å; V681-A708 HydrophobicContact CG1-CB 4.23Å; V681-I709 HydrophobicContact CG1-CD1 3.85Å; V681-M712 HydrophobicContact CB-SD 4.43Å; V681-M712 HydrophobicContact CG1-SD 4.08Å; V681-M712 HydrophobicContact CG2-SD 4.06Å | ||
| 682 | Y | 90.7 | Very high | 85.1 | Confident | 39 Ų | 39 | 46.4 Ų | 46.4 | 15% | 0.153 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128 | 176.2 | -179.1 | -105.7 | 0 | 0 | 0 | 110.5 | P618 V684 V693 A694 V697 Y756 | P618-Y682 HydrophobicContact CB-CE2 4.33Å; P618-Y682 WeakPolarHBondContact CD-OH 3.41Å; P618-Y682 HydrophobicContact CG-CD2 4.26Å; P618-Y682 HydrophobicContact CG-CE1 4.39Å; P618-Y682 HydrophobicContact CG-CE2 3.61Å; Y682-V684 HydrophobicContact CD1-CG2 4.04Å; Y682-V684 HydrophobicContact CE1-CG2 4.44Å; Y682-V684 PolarHBondContact O-N 2.99Å; Y682-V693 WeakPolarHBondContact O-CA 3.25Å; Y682-A694 PolarHBondContact N-O 3.41Å; Y682-A694 PolarHBondContact O-N 3.13Å; Y682-V697 WeakPolarHBondContact CB-O 3.4Å; Y682-Y756 HydrophobicContact CD1-CD1 4.16Å; Y682-Y756 AromaticContact CE1-CD1 3.59Å; Y682-Y756 HydrophobicContact CE1-CD1 3.59Å; Y682-Y756 HydrophobicContact CE1-CE1 4.47Å; Y682-Y756 HydrophobicContact CE1-CG 4.34Å |
| 683 | K | 90.7 | Very high | 85.1 | Confident | 66 Ų | 66 | 46.2 Ų | 46.2 | 29% | 0.287 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 115.9 | 172.9 | -179.1 | 177.6 | -178 | 169.8 | 0 | 108.9 | D673 I676 Y691 | D673-K683 WeakPolarHBondContact OD1-CD 3.42Å; D673-K683 IonicContact OD1-NZ 2.71Å; D673-K683 PolarHBondContact OD1-NZ 3.49Å; D673-K683 IonicContact OD2-NZ 3.01Å; D673-K683 PolarHBondContact OD2-NZ 3.11Å; I676-K683 HydrophobicContact CD1-CB 3.95Å; I676-K683 HydrophobicContact CD1-CD 4.34Å; K683-Y691 HydrophobicContact CD-CE2 4.36Å |
| 684 | V | 85.2 | Confident | 85.4 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 9% | 0.085 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -67.9 | -172.2 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | Y682 M692 A694 L758 | Y682-V684 HydrophobicContact CD1-CG2 4.04Å; Y682-V684 HydrophobicContact CE1-CG2 4.44Å; Y682-V684 PolarHBondContact O-N 2.99Å; V684-M692 HydrophobicContact CB-CE 4.37Å; V684-M692 HydrophobicContact CB-CG 4.21Å; V684-M692 HydrophobicContact CB-SD 3.92Å; V684-M692 HydrophobicContact CG1-CE 4.26Å; V684-M692 HydrophobicContact CG1-SD 3.94Å; V684-M692 HydrophobicContact CG2-CE 4.3Å; V684-M692 HydrophobicContact CG2-CG 4.47Å; V684-M692 HydrophobicContact CG2-SD 4.42Å; V684-M692 PolarHBondContact N-O 3.05Å; V684-M692 VanDerWaalsContact N-O 3.13Å; V684-A694 HydrophobicContact CG2-CB 4.04Å; V684-L758 HydrophobicContact CG1-CB 4.44Å; V684-L758 HydrophobicContact CG1-CD1 4.34Å; V684-L758 HydrophobicContact CG1-CG 4.1Å; V684-L758 HydrophobicContact CG2-CD1 3.51Å; V684-L758 HydrophobicContact CG2-CG 4.06Å |
| 685 | E | 72.6 | Confident | 85.6 | Confident | 51 Ų | 51 | 39.6 Ų | 39.6 | 24% | 0.238 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 163.4 | 176.8 | -69.4 | -169.2 | 168 | 0 | 0 | 109.5 | M692 R755 C757 | E685-M692 WeakPolarHBondContact O-CB 3.38Å; E685-M692 PolarHBondContact O-N 2.84Å; E685-R755 WeakPolarHBondContact OE1-CB 3.39Å; E685-R755 WeakPolarHBondContact OE1-CD 3.46Å; E685-R755 IonicContact OE1-NE 2.69Å; E685-R755 PolarHBondContact OE1-NE 3.17Å; E685-C757 PolarHBondContact OE1-SG 3.36Å |
| 686 | T | 62.5 | Low | 85.7 | Confident | 62 Ų | 62 | 39.3 Ų | 39.3 | 38% | 0.38 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127 | 162.7 | 52.8 | 0 | 0 | 0 | 0 | 108.7 | Y669 A690 Y691 | Y669-T686 HydrophobicContact CE1-CG2 4.38Å; Y669-T686 HydrophobicContact CE2-CG2 4.21Å; T686-A690 VanDerWaalsContact CA-O 3.27Å; T686-A690 WeakPolarHBondContact CA-O 3.43Å; T686-A690 WeakPolarHBondContact CB-O 3.46Å; T686-Y691 HydrophobicContact CG2-CD2 3.74Å; T686-Y691 HydrophobicContact CG2-CE2 4.27Å |
| 687 | I | 59.2 | Low | 85.7 | Confident | 119 Ų | 119 | 39.1 Ų | 39.1 | 61% | 0.61 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 104.5 | 175.9 | -58.9 | 176.7 | 0 | 0 | 0 | 107.2 | D689 A690 | I687-D689 PolarHBondContact O-N 3.04Å; I687-A690 PolarHBondContact N-O 3.33Å; I687-A690 VanDerWaalsContact O-CB 3.25Å; I687-A690 WeakPolarHBondContact O-CB 3.39Å; I687-A690 PolarHBondContact O-N 2.97Å |
| 688 | G | 68.3 | Low | 85.7 | Confident | 58 Ų | 58 | 35.6 Ų | 35.6 | 60% | 0.598 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | -126.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | A690 | G688-A690 VanDerWaalsContact C-N 3.34Š|
| 689 | D | 80 | Confident | 85.7 | Confident | 29 Ų | 29 | 34.9 Ų | 34.9 | 16% | 0.155 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -6.2 | 172.6 | 57 | -45.3 | 0 | 0 | 0 | 113.8 | D645 I646 F649 Y669 I687 | D645-D689 VanDerWaalsContact OD1-OD2 3.14Å; I646-D689 HydrophobicContact CB-CB 4.36Å; I646-D689 HydrophobicContact CD1-CB 4.1Å; I646-D689 HydrophobicContact CG1-CB 4.32Å; I646-D689 PolarHBondContact N-OD2 3.36Å; F649-D689 HydrophobicContact CB-CB 4.15Å; F649-D689 WeakPolarHBondContact CB-OD2 2.86Å; F649-D689 HydrophobicContact CD1-CB 3.53Å; F649-D689 VanDerWaalsContact CD1-CG 3.42Å; F649-D689 HydrophobicContact CD2-CB 3.76Å; F649-D689 HydrophobicContact CE1-CB 3.79Å; F649-D689 HydrophobicContact CE2-CB 4Å; F649-D689 HydrophobicContact CG-CB 3.52Å; F649-D689 WeakPolarHBondContact CG-OD2 3.48Å; F649-D689 HydrophobicContact CZ-CB 4.02Å; Y669-D689 WeakPolarHBondContact OH-CA 3.48Å; Y669-D689 PolarHBondContact OH-O 3.29Å; Y669-D689 VanDerWaalsContact OH-O 3.05Å; I687-D689 PolarHBondContact O-N 3.04Å |
| 690 | A | 84.1 | Confident | 85.7 | Confident | 18 Ų | 18 | 39.1 Ų | 39.1 | 15% | 0.149 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 133.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S644 T686 I687 G688 | S644-A690 CarbonylContact O-C 3.57Å; S644-A690 WeakPolarHBondContact O-CA 3.46Å; T686-A690 VanDerWaalsContact CA-O 3.27Å; T686-A690 WeakPolarHBondContact CA-O 3.43Å; T686-A690 WeakPolarHBondContact CB-O 3.46Å; I687-A690 PolarHBondContact N-O 3.33Å; I687-A690 VanDerWaalsContact O-CB 3.25Å; I687-A690 WeakPolarHBondContact O-CB 3.39Å; I687-A690 PolarHBondContact O-N 2.97Å; G688-A690 VanDerWaalsContact C-N 3.34Å |
| 691 | Y | 91.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 113.7 | 177.9 | -164.3 | -105.8 | 0 | 0 | 0 | 110.6 | Y642 S644 Y669 F672 D673 I676 K683 T686 V693 | Y642-Y691 WeakPolarHBondContact CD1-O 3.3Å; Y642-Y691 HydrophobicContact CE1-CD1 4.02Å; Y642-Y691 WeakPolarHBondContact CE1-O 3.47Å; S644-Y691 PolarHBondContact N-O 3.42Å; S644-Y691 VanDerWaalsContact N-O 3.07Å; S644-Y691 PolarHBondContact O-N 3.4Å; S644-Y691 WeakPolarHBondContact OG-CB 3.38Å; Y669-Y691 AromaticContact CD1-CD2 3.41Å; Y669-Y691 HydrophobicContact CD1-CD2 3.41Å; Y669-Y691 VanDerWaalsContact CD1-CD2 3.41Å; Y669-Y691 AromaticContact CD1-CE2 3.67Å; Y669-Y691 HydrophobicContact CD1-CE2 3.67Å; Y669-Y691 HydrophobicContact CD1-CG 4.38Å; Y669-Y691 AromaticContact CE1-CD2 3.44Å; Y669-Y691 HydrophobicContact CE1-CD2 3.44Å; Y669-Y691 VanDerWaalsContact CE1-CD2 3.44Å; Y669-Y691 HydrophobicContact CE1-CE2 4.18Å; Y669-Y691 HydrophobicContact CE1-CG 4.18Å; Y669-Y691 HydrophobicContact CG-CD2 4.36Å; Y669-Y691 HydrophobicContact CG-CE2 4.32Å; F672-Y691 HydrophobicContact CB-CE1 4.06Å; F672-Y691 HydrophobicContact CB-CE2 4.32Å; F672-Y691 AromaticContact CD2-CD1 3.85Å; F672-Y691 HydrophobicContact CD2-CD1 3.85Å; F672-Y691 HydrophobicContact CD2-CD2 4.27Å; F672-Y691 AromaticContact CD2-CE1 3.97Å; F672-Y691 HydrophobicContact CD2-CE1 3.97Å; F672-Y691 HydrophobicContact CD2-CE2 4.38Å; F672-Y691 HydrophobicContact CD2-CG 4Å; D673-Y691 PolarHBondContact OD1-OH 2.88Å; I676-Y691 VanDerWaalsContact CD1-OH 3.32Å; I676-Y691 WeakPolarHBondContact CD1-OH 3.48Å; I676-Y691 HydrophobicContact CG2-CE1 4.25Å; K683-Y691 HydrophobicContact CD-CE2 4.36Å; T686-Y691 HydrophobicContact CG2-CD2 3.74Å; T686-Y691 HydrophobicContact CG2-CE2 4.27Å; Y691-V693 HydrophobicContact CD1-CG2 3.76Å; Y691-V693 HydrophobicContact CE1-CG2 3.4Å |
| 692 | M | 93.5 | Very high | 85.8 | Confident | 14 Ų | 14 | 38.9 Ų | 38.9 | 7% | 0.069 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.1 | -175.9 | -170.7 | -171.5 | 175.9 | 0 | 0 | 111.9 | I641 Y642 F643 V684 E685 L758 V763 | I641-M692 HydrophobicContact CD1-CE 4.12Å; I641-M692 HydrophobicContact CG2-CE 3.71Å; I641-M692 HydrophobicContact CG2-CG 4.26Å; Y642-M692 WeakPolarHBondContact O-CA 3.46Å; F643-M692 HydrophobicContact CD1-CB 4.36Å; F643-M692 HydrophobicContact CD1-CG 4.36Å; F643-M692 HydrophobicContact CD2-CG 4.49Å; F643-M692 HydrophobicContact CE1-CB 4.07Å; F643-M692 HydrophobicContact CE1-CG 3.89Å; F643-M692 HydrophobicContact CE1-SD 3.98Å; F643-M692 HydrophobicContact CE2-CE 3.94Å; F643-M692 HydrophobicContact CE2-CG 4.07Å; F643-M692 HydrophobicContact CE2-SD 4.15Å; F643-M692 HydrophobicContact CZ-CB 4.42Å; F643-M692 HydrophobicContact CZ-CE 3.83Å; F643-M692 HydrophobicContact CZ-CG 3.74Å; F643-M692 HydrophobicContact CZ-SD 3.5Å; F643-M692 VanDerWaalsContact CZ-SD 3.5Å; V684-M692 HydrophobicContact CB-CE 4.37Å; V684-M692 HydrophobicContact CB-CG 4.21Å; V684-M692 HydrophobicContact CB-SD 3.92Å; V684-M692 HydrophobicContact CG1-CE 4.26Å; V684-M692 HydrophobicContact CG1-SD 3.94Å; V684-M692 HydrophobicContact CG2-CE 4.3Å; V684-M692 HydrophobicContact CG2-CG 4.47Å; V684-M692 HydrophobicContact CG2-SD 4.42Å; V684-M692 PolarHBondContact N-O 3.05Å; V684-M692 VanDerWaalsContact N-O 3.13Å; E685-M692 WeakPolarHBondContact O-CB 3.38Å; E685-M692 PolarHBondContact O-N 2.84Å; M692-L758 HydrophobicContact CE-CB 4.23Å; M692-L758 HydrophobicContact CE-CD1 3.99Å; M692-V763 HydrophobicContact CE-CG1 3.88Å; M692-V763 HydrophobicContact CE-CG2 4.33Å |
| 693 | V | 94.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 145.2 | 178.5 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | Y642 I676 V681 Y682 Y691 I709 M712 | Y642-V693 WeakPolarHBondContact CB-O 3.25Å; Y642-V693 HydrophobicContact CD1-CB 4.25Å; Y642-V693 HydrophobicContact CD1-CG2 4.33Å; Y642-V693 PolarHBondContact N-O 3.4Å; Y642-V693 PolarHBondContact O-N 2.91Å; Y642-V693 VanDerWaalsContact O-N 3.08Å; I676-V693 HydrophobicContact CG2-CG2 4.39Å; V681-V693 HydrophobicContact CB-CG1 3.56Å; V681-V693 HydrophobicContact CG1-CG1 4.24Å; V681-V693 HydrophobicContact CG2-CG1 3.78Å; Y682-V693 WeakPolarHBondContact O-CA 3.25Å; Y691-V693 HydrophobicContact CD1-CG2 3.76Å; Y691-V693 HydrophobicContact CE1-CG2 3.4Å; V693-I709 HydrophobicContact CG1-CD1 4.08Å; V693-M712 HydrophobicContact CB-CE 4.01Å; V693-M712 HydrophobicContact CB-SD 4.18Å; V693-M712 HydrophobicContact CG1-CE 4.04Å; V693-M712 HydrophobicContact CG1-SD 3.66Å; V693-M712 HydrophobicContact CG2-CE 4.45Å; V693-M712 HydrophobicContact CG2-SD 4.41Å |
| 694 | A | 95.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 150.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T640 I641 V681 Y682 V684 V697 L758 | T640-A694 WeakPolarHBondContact O-CA 3.22Å; I641-A694 HydrophobicContact CG1-CB 4.29Å; V681-A694 CarbonylContact C-O 3.44Å; V681-A694 WeakPolarHBondContact CA-O 3.35Å; Y682-A694 PolarHBondContact N-O 3.41Å; Y682-A694 PolarHBondContact O-N 3.13Å; V684-A694 HydrophobicContact CG2-CB 4.04Å; A694-V697 HydrophobicContact CB-CG2 3.47Å; A694-V697 VanDerWaalsContact CB-CG2 3.47Å; A694-L758 HydrophobicContact CB-CD1 3.52Å |
| 695 | S | 95.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 152.8 | 170.1 | -170 | 0 | 0 | 0 | 0 | 110.2 | C639 T640 D680 V697 N701 H705 | C639-S695 VanDerWaalsContact CA-O 3.28Å; C639-S695 WeakPolarHBondContact CA-O 3.37Å; C639-S695 VanDerWaalsContact CB-O 3.22Å; C639-S695 WeakPolarHBondContact CB-O 3.44Å; T640-S695 PolarHBondContact N-O 2.81Å; T640-S695 PolarHBondContact O-N 3.38Å; D680-S695 WeakPolarHBondContact O-CB 3.16Å; D680-S695 PolarHBondContact O-OG 2.94Å; S695-V697 VanDerWaalsContact C-N 3.3Å; S695-N701 PolarHBondContact OG-ND2 3.27Å; S695-H705 VanDerWaalsContact O-CB 3.28Å; S695-H705 WeakPolarHBondContact O-CB 3.44Å; S695-H705 VanDerWaalsContact OG-CA 3.32Å; S695-H705 WeakPolarHBondContact OG-CA 3.4Å |
| 696 | G | 93.9 | Very high | 87.5 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 88 | -1.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F636 R699 | F636-G696 WeakPolarHBondContact CD1-O 3.43Å; G696-R699 CarbonylContact C-O 3.46Å; G696-R699 WeakPolarHBondContact CA-O 3.28Å; G696-R699 CarbonylContact O-C 3.26Å |
| 697 | V | 91.7 | Very high | 89 | Confident | 6 Ų | 6 | 40.7 Ų | 40.7 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -137.1 | 144.7 | 177 | -65.3 | 0 | 0 | 0 | 0 | 110.3 | F636 C639 Y682 A694 S695 V744 L758 | F636-V697 HydrophobicContact CB-CG1 4.02Å; F636-V697 HydrophobicContact CD1-CG1 3.78Å; F636-V697 HydrophobicContact CD2-CG1 3.76Å; F636-V697 HydrophobicContact CE1-CG1 4.18Å; F636-V697 HydrophobicContact CE2-CG1 4.15Å; F636-V697 HydrophobicContact CG-CG1 3.57Å; F636-V697 HydrophobicContact CZ-CG1 4.35Å; C639-V697 HydrophobicContact CB-CG1 4.1Å; Y682-V697 WeakPolarHBondContact CB-O 3.4Å; A694-V697 HydrophobicContact CB-CG2 3.47Å; A694-V697 VanDerWaalsContact CB-CG2 3.47Å; S695-V697 VanDerWaalsContact C-N 3.3Å; V697-V744 HydrophobicContact CG1-CG2 3.88Å; V697-L758 HydrophobicContact CB-CD2 4.25Å; V697-L758 HydrophobicContact CG1-CD2 4.15Å; V697-L758 HydrophobicContact CG2-CD1 3.96Å; V697-L758 HydrophobicContact CG2-CD2 4.01Å |
| 698 | P | 88 | Confident | 90.7 | Very high | 21 Ų | 21 | 35.6 Ų | 35.6 | 14% | 0.136 | 19% | 0.189 | C | C | . | . | S | Bend | cis | -69.5 | -8.8 | -13.8 | 34.1 | -39.2 | 0 | 0 | 0 | 112.5 | P618 F636 Y756 | P618-P698 HydrophobicContact CB-CG 3.76Å; P618-P698 HydrophobicContact CG-CG 4.17Å; F636-P698 WeakPolarHBondContact CE1-O 3.28Å; F636-P698 WeakPolarHBondContact CZ-O 3.38Å; P698-Y756 HydrophobicContact CB-CE1 4.12Å; P698-Y756 WeakPolarHBondContact CB-OH 3.44Å |
| 699 | R | 88.4 | Confident | 92.1 | Very high | 117 Ų | 117 | 32.8 Ų | 32.8 | 44% | 0.442 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -98.9 | 117.9 | 179.9 | -176.4 | 174.3 | 61 | -158.7 | -1 | 110.6 | D680 G696 N701 | D680-R699 IonicContact OD1-CZ 3.49Å; D680-R699 IonicContact OD1-NE 3.78Å; D680-R699 IonicContact OD1-NH2 2.74Å; D680-R699 PolarHBondContact OD1-NH2 3.38Å; D680-R699 IonicContact OD2-NH2 2.71Å; G696-R699 CarbonylContact C-O 3.46Å; G696-R699 WeakPolarHBondContact CA-O 3.28Å; G696-R699 CarbonylContact O-C 3.26Å; R699-N701 PolarHBondContact O-N 2.92Å |
| 700 | R | 92.2 | Very high | 92.8 | Very high | 132 Ų | 132 | 31.5 Ų | 31.5 | 50% | 0.498 | 15% | 0.153 | S | C | . | . | trans | -61.7 | 129.8 | 170.5 | -65.2 | 177 | -175.5 | 72.4 | 3.5 | 109.6 | E634 A635 F636 | E634-R700 IonicContact OE1-CZ 2.58Å; E634-R700 IonicContact OE1-NH1 3.79Å; E634-R700 PolarHBondContact OE1-NH1 3.29Å; E634-R700 IonicContact OE1-NH2 3.54Å; E634-R700 PolarHBondContact OE1-NH2 2.65Å; A635-R700 PolarHBondContact O-NH2 3.09Å; F636-R700 HydrophobicContact CD1-CG 3.84Å; F636-R700 HydrophobicContact CE1-CG 4.06Å | ||
| 701 | N | 92 | Very high | 93.3 | Very high | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.064 | 15% | 0.148 | C | C | . | . | trans | -128.8 | 23.4 | -178.5 | 63.7 | 3.2 | 0 | 0 | 0 | 113.4 | D680 S695 R699 R704 H705 | D680-N701 WeakPolarHBondContact OD2-CB 3.45Å; D680-N701 PolarHBondContact OD2-ND2 3.43Å; S695-N701 PolarHBondContact OG-ND2 3.27Å; R699-N701 PolarHBondContact O-N 2.92Å; N701-R704 WeakPolarHBondContact O-CB 3.24Å; N701-H705 VanDerWaalsContact OD1-CB 3.31Å; N701-H705 WeakPolarHBondContact OD1-CB 3.2Å; N701-H705 PolarHBondContact OD1-N 3.43Å; N701-H705 VanDerWaalsContact OD1-N 3.14Å | ||
| 702 | G | 91.6 | Very high | 93.5 | Very high | 56 Ų | 56 | 31 Ų | 31 | 58% | 0.577 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | -148.5 | -173 | 0 | 0 | 0 | 0 | 0 | 110.2 | R704 H705 | G702-R704 PolarHBondContact O-N 2.61Å; G702-R704 VanDerWaalsContact O-N 3.15Å; G702-H705 PolarHBondContact O-CD2 3.06Å; G702-H705 PolarHBondContact O-NE2 3.14Å |
| 703 | E | 91.1 | Very high | 93.6 | Very high | 71 Ų | 71 | 30.3 Ų | 30.3 | 33% | 0.332 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -1.2 | -178.2 | -54.3 | -169.4 | 164.8 | 0 | 0 | 114.3 | H705 A706 I787 R790 L791 | E703-H705 PolarHBondContact O-N 2.91Å; E703-H705 VanDerWaalsContact O-N 3.16Å; E703-A706 PolarHBondContact O-N 2.95Å; E703-I787 HydrophobicContact CB-CG2 3.91Å; E703-R790 VanDerWaalsContact CD-CZ 3.47Å; E703-R790 IonicContact OE1-CZ 3.12Å; E703-R790 IonicContact OE1-NE 3.52Å; E703-R790 IonicContact OE1-NH1 2.58Å; E703-R790 IonicContact OE1-NH2 3.56Å; E703-R790 PolarHBondContact OE1-NH2 2.55Å; E703-R790 IonicContact OE2-CZ 3.1Å; E703-R790 IonicContact OE2-NE 2.65Å; E703-R790 PolarHBondContact OE2-NE 3.22Å; E703-R790 IonicContact OE2-NH2 2.69Å; E703-R790 PolarHBondContact OE2-NH2 2.96Å; E703-L791 HydrophobicContact CB-CD1 3.82Å; E703-L791 WeakPolarHBondContact O-CD1 3.27Å |
| 704 | R | 92.8 | Very high | 93.7 | Very high | 170 Ų | 170 | 31.9 Ų | 31.9 | 64% | 0.642 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -64.9 | -16.9 | 178.5 | -66.7 | -168.4 | -68 | -126 | 0.3 | 113 | N701 G702 A706 I707 A708 | N701-R704 WeakPolarHBondContact O-CB 3.24Å; G702-R704 PolarHBondContact O-N 2.61Å; G702-R704 VanDerWaalsContact O-N 3.15Å; R704-A706 PolarHBondContact O-N 3.35Å; R704-I707 PolarHBondContact O-N 2.95Å; R704-A708 PolarHBondContact O-N 3.06Å |
| 705 | H | 95.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.009 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.5 | -38.2 | 174.1 | 55.9 | 75.3 | 0 | 0 | 0 | 113.1 | T640 S695 N701 G702 E703 I709 | T640-H705 PolarHBondContact N-ND1 3.17Å; T640-H705 PolarHBondContact OG1-ND1 3.05Å; S695-H705 VanDerWaalsContact O-CB 3.28Å; S695-H705 WeakPolarHBondContact O-CB 3.44Å; S695-H705 VanDerWaalsContact OG-CA 3.32Å; S695-H705 WeakPolarHBondContact OG-CA 3.4Å; N701-H705 VanDerWaalsContact OD1-CB 3.31Å; N701-H705 WeakPolarHBondContact OD1-CB 3.2Å; N701-H705 PolarHBondContact OD1-N 3.43Å; N701-H705 VanDerWaalsContact OD1-N 3.14Å; G702-H705 PolarHBondContact O-CD2 3.06Å; G702-H705 PolarHBondContact O-NE2 3.14Å; E703-H705 PolarHBondContact O-N 2.91Å; E703-H705 VanDerWaalsContact O-N 3.16Å; H705-I709 WeakPolarHBondContact O-CG1 3.36Å; H705-I709 PolarHBondContact O-N 3.3Å |
| 706 | A | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.1 | -43.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | T640 E703 R704 I709 A710 I787 L788 | T640-A706 VanDerWaalsContact OG1-CA 3.26Å; T640-A706 WeakPolarHBondContact OG1-CA 3.3Å; T640-A706 PolarHBondContact OG1-N 3.3Å; E703-A706 PolarHBondContact O-N 2.95Å; R704-A706 PolarHBondContact O-N 3.35Å; A706-I709 PolarHBondContact O-N 2.67Å; A706-A710 VanDerWaalsContact O-CB 3.27Å; A706-A710 WeakPolarHBondContact O-CB 3.49Å; A706-A710 PolarHBondContact O-N 2.83Å; A706-I787 HydrophobicContact CB-CB 4.1Å; A706-I787 HydrophobicContact CB-CG2 3.54Å; A706-L788 HydrophobicContact CB-CD2 3.7Å; A706-L788 HydrophobicContact CB-CG 4.07Å |
| 707 | I | 94.3 | Very high | 93.6 | Very high | 27 Ų | 27 | 34.1 Ų | 34.1 | 14% | 0.138 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.7 | -51.4 | 177.1 | -63.9 | -173.8 | 0 | 0 | 0 | 111 | R704 I709 A710 D711 L788 L791 F794 R820 | R704-I707 PolarHBondContact O-N 2.95Å; I707-I709 VanDerWaalsContact C-N 3.3Å; I707-I709 PolarHBondContact O-N 2.93Å; I707-A710 PolarHBondContact O-N 2.94Å; I707-D711 PolarHBondContact O-N 3.16Å; I707-L788 HydrophobicContact CG1-CD2 4.27Å; I707-L791 HydrophobicContact CD1-CB 3.99Å; I707-L791 HydrophobicContact CD1-CD1 3.65Å; I707-L791 HydrophobicContact CD1-CG 4.33Å; I707-L791 HydrophobicContact CG1-CB 4.43Å; I707-L791 HydrophobicContact CG1-CD1 3.71Å; I707-F794 HydrophobicContact CG1-CE2 4.46Å; I707-F794 HydrophobicContact CG2-CE2 4.45Å; I707-F794 HydrophobicContact CG2-CZ 4.45Å; I707-R820 VanDerWaalsContact CG2-NH1 3.33Å |
| 708 | A | 94.3 | Very high | 93.7 | Very high | 11 Ų | 11 | 37.5 Ų | 37.5 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.3 | -44.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V681 R704 M712 | V681-A708 HydrophobicContact CG1-CB 4.23Å; R704-A708 PolarHBondContact O-N 3.06Å; A708-M712 WeakPolarHBondContact O-CB 3.15Å; A708-M712 PolarHBondContact O-N 3.23Å |
| 709 | I | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.7 | -43.3 | 177.8 | -68 | -67.7 | 0 | 0 | 0 | 111.8 | T640 V681 V693 H705 A706 I707 M712 S713 L739 | T640-I709 HydrophobicContact CG2-CB 3.81Å; T640-I709 HydrophobicContact CG2-CG1 4Å; T640-I709 HydrophobicContact CG2-CG2 3.75Å; V681-I709 HydrophobicContact CG1-CD1 3.85Å; V693-I709 HydrophobicContact CG1-CD1 4.08Å; H705-I709 WeakPolarHBondContact O-CG1 3.36Å; H705-I709 PolarHBondContact O-N 3.3Å; A706-I709 PolarHBondContact O-N 2.67Å; I707-I709 VanDerWaalsContact C-N 3.3Å; I707-I709 PolarHBondContact O-N 2.93Å; I709-M712 HydrophobicContact CD1-CE 3.89Å; I709-M712 HydrophobicContact CD1-SD 4.43Å; I709-M712 PolarHBondContact O-N 3.09Å; I709-S713 VanDerWaalsContact O-CB 3.31Å; I709-S713 WeakPolarHBondContact O-CB 3.32Å; I709-S713 PolarHBondContact O-N 3.05Å; I709-S713 PolarHBondContact O-OG 3.13Å; I709-L739 HydrophobicContact CG2-CD1 4.2Å; I709-L739 HydrophobicContact CG2-CD2 3.48Å; I709-L739 VanDerWaalsContact CG2-CD2 3.48Å; I709-L739 HydrophobicContact CG2-CG 4.4Å |
| 710 | A | 96.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A706 I707 S713 L714 L788 F794 I815 | A706-A710 VanDerWaalsContact O-CB 3.27Å; A706-A710 WeakPolarHBondContact O-CB 3.49Å; A706-A710 PolarHBondContact O-N 2.83Å; I707-A710 PolarHBondContact O-N 2.94Å; A710-S713 PolarHBondContact O-N 2.81Å; A710-L714 PolarHBondContact O-N 3.06Å; A710-L788 HydrophobicContact CB-CD1 3.87Å; A710-L788 HydrophobicContact CB-CD2 4.02Å; A710-F794 HydrophobicContact CB-CD1 4.17Å; A710-F794 HydrophobicContact CB-CE1 3.5Å; A710-F794 VanDerWaalsContact CB-CE1 3.5Å; A710-F794 HydrophobicContact CB-CE2 4.27Å; A710-F794 HydrophobicContact CB-CZ 3.54Å; A710-I815 HydrophobicContact CB-CD1 4.1Å |
| 711 | D | 94 | Very high | 94.1 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 5% | 0.048 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.4 | -56.1 | 172.1 | -76.1 | -26.6 | 0 | 0 | 0 | 111.1 | Y679 I707 S713 L714 D715 F794 R818 R820 | Y679-D711 HydrophobicContact CD1-CB 4.28Å; Y679-D711 HydrophobicContact CE1-CB 3.53Å; I707-D711 PolarHBondContact O-N 3.16Å; D711-S713 PolarHBondContact O-N 3.25Å; D711-S713 VanDerWaalsContact O-N 3.11Å; D711-L714 PolarHBondContact O-N 2.86Å; D711-D715 PolarHBondContact O-N 2.7Å; D711-D715 VanDerWaalsContact O-N 3.17Å; D711-F794 WeakPolarHBondContact OD1-CE1 3.37Å; D711-F794 WeakPolarHBondContact OD1-CZ 3.25Å; D711-R818 VanDerWaalsContact C-NH2 3.26Å; D711-R818 PolarHBondContact O-NH2 3.4Å; D711-R818 WeakPolarHBondContact OD1-CD 3.31Å; D711-R818 IonicContact OD1-CZ 3.99Å; D711-R818 IonicContact OD1-NE 3.73Å; D711-R818 PolarHBondContact OD1-NE 3.08Å; D711-R820 IonicContact OD1-CZ 3.76Å; D711-R820 IonicContact OD1-NE 3.88Å; D711-R820 IonicContact OD1-NH2 2.76Å; D711-R820 PolarHBondContact OD1-NH2 3.08Å; D711-R820 IonicContact OD2-CZ 3.94Å; D711-R820 IonicContact OD2-NH2 2.85Å; D711-R820 PolarHBondContact OD2-NH2 3.38Å |
| 712 | M | 95 | Very high | 94 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -50.9 | -41.4 | 178.9 | 178.2 | -157.5 | 74.5 | 0 | 0 | 111.6 | Y642 I676 Y679 V681 V693 A708 I709 L714 D715 L716 | Y642-M712 HydrophobicContact CD1-CE 4.09Å; Y642-M712 HydrophobicContact CD2-CE 3.51Å; Y642-M712 HydrophobicContact CE2-CE 4.03Å; Y642-M712 HydrophobicContact CG-CE 3.54Å; I676-M712 HydrophobicContact CB-SD 4.26Å; I676-M712 HydrophobicContact CG2-CG 3.91Å; I676-M712 HydrophobicContact CG2-SD 3.52Å; I676-M712 VanDerWaalsContact CG2-SD 3.52Å; Y679-M712 HydrophobicContact CD1-CB 4.43Å; Y679-M712 HydrophobicContact CD2-CB 3.78Å; Y679-M712 HydrophobicContact CD2-CG 4.03Å; Y679-M712 HydrophobicContact CE2-CB 4.05Å; Y679-M712 HydrophobicContact CE2-CG 4.44Å; Y679-M712 HydrophobicContact CG-CB 3.99Å; V681-M712 HydrophobicContact CB-SD 4.43Å; V681-M712 HydrophobicContact CG1-SD 4.08Å; V681-M712 HydrophobicContact CG2-SD 4.06Å; V693-M712 HydrophobicContact CB-CE 4.01Å; V693-M712 HydrophobicContact CB-SD 4.18Å; V693-M712 HydrophobicContact CG1-CE 4.04Å; V693-M712 HydrophobicContact CG1-SD 3.66Å; V693-M712 HydrophobicContact CG2-CE 4.45Å; V693-M712 HydrophobicContact CG2-SD 4.41Å; A708-M712 WeakPolarHBondContact O-CB 3.15Å; A708-M712 PolarHBondContact O-N 3.23Å; I709-M712 HydrophobicContact CD1-CE 3.89Å; I709-M712 HydrophobicContact CD1-SD 4.43Å; I709-M712 PolarHBondContact O-N 3.09Å; M712-L714 PolarHBondContact O-N 2.78Å; M712-D715 PolarHBondContact O-N 3.33Å; M712-L716 HydrophobicContact CE-CD1 3.96Å; M712-L716 HydrophobicContact CG-CD1 3.9Å; M712-L716 HydrophobicContact CG-CG 4.29Å; M712-L716 VanDerWaalsContact O-CG 3.29Å; M712-L716 WeakPolarHBondContact O-CG 3.46Å; M712-L716 PolarHBondContact O-N 3.16Å; M712-L716 HydrophobicContact SD-CD1 4.25Å |
| 713 | S | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | 178.9 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | Y642 I709 A710 D711 D715 L716 V717 | Y642-S713 WeakPolarHBondContact CD2-OG 3.4Å; Y642-S713 WeakPolarHBondContact CE2-OG 3.38Å; I709-S713 VanDerWaalsContact O-CB 3.31Å; I709-S713 WeakPolarHBondContact O-CB 3.32Å; I709-S713 PolarHBondContact O-N 3.05Å; I709-S713 PolarHBondContact O-OG 3.13Å; A710-S713 PolarHBondContact O-N 2.81Å; D711-S713 PolarHBondContact O-N 3.25Å; D711-S713 VanDerWaalsContact O-N 3.11Å; S713-D715 VanDerWaalsContact C-N 3.35Å; S713-L716 PolarHBondContact O-N 2.97Å; S713-V717 VanDerWaalsContact O-CG2 3.32Å; S713-V717 WeakPolarHBondContact O-CG2 3.5Å; S713-V717 PolarHBondContact O-N 2.83Å |
| 714 | L | 95.1 | Very high | 94.1 | Very high | 32 Ų | 32 | 33.1 Ų | 33.1 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.1 | -39.6 | 178.5 | -72.1 | 166.7 | 0 | 0 | 0 | 111.6 | A710 D711 M712 S718 I778 F794 R818 | A710-L714 PolarHBondContact O-N 3.06Å; D711-L714 PolarHBondContact O-N 2.86Å; M712-L714 PolarHBondContact O-N 2.78Å; L714-S718 WeakPolarHBondContact O-CB 3.4Å; L714-S718 PolarHBondContact O-N 2.95Å; L714-I778 HydrophobicContact CB-CD1 4.42Å; L714-I778 HydrophobicContact CD2-CD1 3.5Å; L714-I778 HydrophobicContact CG-CD1 3.71Å; L714-F794 HydrophobicContact CD1-CD1 4.26Å; L714-F794 HydrophobicContact CD1-CE1 4.17Å; L714-R818 HydrophobicContact CD1-CG 3.52Å |
| 715 | D | 94 | Very high | 94.1 | Very high | 37 Ų | 37 | 25 Ų | 25 | 20% | 0.198 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.8 | -42.7 | 175.9 | -77.7 | 11.4 | 0 | 0 | 0 | 111.8 | I675 Y679 D711 M712 S713 S718 V719 R818 | I675-D715 HydrophobicContact CG2-CB 3.82Å; Y679-D715 VanDerWaalsContact OH-CG 3.24Å; Y679-D715 PolarHBondContact OH-OD2 3.08Å; D711-D715 PolarHBondContact O-N 2.7Å; D711-D715 VanDerWaalsContact O-N 3.17Å; M712-D715 PolarHBondContact O-N 3.33Å; S713-D715 VanDerWaalsContact C-N 3.35Å; D715-S718 WeakPolarHBondContact O-CB 3.34Å; D715-S718 PolarHBondContact O-N 2.7Å; D715-V719 PolarHBondContact O-N 3.21Å; D715-R818 IonicContact OD1-CZ 3.1Å; D715-R818 IonicContact OD1-NH1 3.02Å; D715-R818 PolarHBondContact OD1-NH1 2.74Å; D715-R818 VanDerWaalsContact OD1-NH1 3.12Å; D715-R818 IonicContact OD1-NH2 2.73Å; D715-R818 PolarHBondContact OD1-NH2 2.81Å |
| 716 | L | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.8 | -41.4 | 177.7 | -70.7 | 174.5 | 0 | 0 | 0 | 111.9 | Y642 F672 I675 I676 M712 S713 V719 S720 | Y642-L716 HydrophobicContact CE1-CD1 4.17Å; Y642-L716 HydrophobicContact CE2-CD1 4.03Å; Y642-L716 WeakPolarHBondContact OH-CD1 3.47Å; F672-L716 HydrophobicContact CB-CD2 3.89Å; F672-L716 HydrophobicContact CD1-CD2 3.5Å; F672-L716 HydrophobicContact CD2-CD2 4.04Å; F672-L716 HydrophobicContact CE1-CD2 3.92Å; F672-L716 HydrophobicContact CE2-CD2 4.43Å; F672-L716 HydrophobicContact CG-CD2 3.55Å; F672-L716 HydrophobicContact CZ-CD2 4.36Å; I675-L716 HydrophobicContact CB-CD2 4.14Å; I675-L716 HydrophobicContact CD1-CD2 3.84Å; I675-L716 HydrophobicContact CG2-CD2 4.09Å; I675-L716 HydrophobicContact CG2-CG 4.35Å; I676-L716 HydrophobicContact CG2-CD1 4.47Å; M712-L716 HydrophobicContact CE-CD1 3.96Å; M712-L716 HydrophobicContact CG-CD1 3.9Å; M712-L716 HydrophobicContact CG-CG 4.29Å; M712-L716 VanDerWaalsContact O-CG 3.29Å; M712-L716 WeakPolarHBondContact O-CG 3.46Å; M712-L716 PolarHBondContact O-N 3.16Å; M712-L716 HydrophobicContact SD-CD1 4.25Å; S713-L716 PolarHBondContact O-N 2.97Å; L716-V719 PolarHBondContact O-N 3.23Å; L716-S720 PolarHBondContact O-N 2.88Å |
| 717 | V | 95.1 | Very high | 93.7 | Very high | 13 Ų | 13 | 29 Ų | 29 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 173.8 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | S713 V719 S720 H721 I735 V737 I778 | S713-V717 VanDerWaalsContact O-CG2 3.32Å; S713-V717 WeakPolarHBondContact O-CG2 3.5Å; S713-V717 PolarHBondContact O-N 2.83Å; V717-V719 PolarHBondContact O-N 3.4Å; V717-S720 WeakPolarHBondContact O-CB 3.43Å; V717-S720 PolarHBondContact O-N 3.08Å; V717-S720 PolarHBondContact O-OG 3.11Å; V717-H721 PolarHBondContact O-CD2 3.27Å; V717-H721 VanDerWaalsContact O-CD2 3.28Å; V717-H721 PolarHBondContact O-N 3.19Å; V717-I735 HydrophobicContact CG2-CD1 4.01Å; V717-I735 HydrophobicContact CG2-CG1 4.26Å; V717-V737 HydrophobicContact CG2-CG2 3.93Å; V717-I778 HydrophobicContact CG2-CD1 4.26Å; V717-I778 HydrophobicContact CG2-CG1 3.98Å |
| 718 | S | 93 | Very high | 93.5 | Very high | 76 Ų | 76 | 30.6 Ų | 30.6 | 53% | 0.531 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.1 | -45.2 | 175.3 | -175.9 | 0 | 0 | 0 | 0 | 112.4 | L714 D715 S720 H721 | L714-S718 WeakPolarHBondContact O-CB 3.4Å; L714-S718 PolarHBondContact O-N 2.95Å; D715-S718 WeakPolarHBondContact O-CB 3.34Å; D715-S718 PolarHBondContact O-N 2.7Å; S718-S720 VanDerWaalsContact C-N 3.35Å; S718-S720 PolarHBondContact O-N 3.35Å; S718-H721 WeakPolarHBondContact O-CB 3.41Å; S718-H721 PolarHBondContact O-N 2.78Å |
| 719 | V | 92.2 | Very high | 93.3 | Very high | 34 Ų | 34 | 34.1 Ų | 34.1 | 21% | 0.206 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.6 | -36.1 | 176.4 | 169.8 | 0 | 0 | 0 | 0 | 111.9 | I675 D715 L716 V717 H721 S722 F723 | I675-V719 HydrophobicContact CD1-CB 3.85Å; I675-V719 HydrophobicContact CD1-CG1 4.09Å; I675-V719 HydrophobicContact CD1-CG2 3.5Å; I675-V719 VanDerWaalsContact CD1-CG2 3.5Å; D715-V719 PolarHBondContact O-N 3.21Å; L716-V719 PolarHBondContact O-N 3.23Å; V717-V719 PolarHBondContact O-N 3.4Å; V719-H721 PolarHBondContact O-N 2.77Å; V719-S722 PolarHBondContact O-N 2.77Å; V719-S722 PolarHBondContact O-OG 2.96Å; V719-S722 VanDerWaalsContact O-OG 3.08Å; V719-F723 PolarHBondContact O-N 2.67Å |
| 720 | S | 92.6 | Very high | 93 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.2 | -31.9 | 176.4 | 78.9 | 0 | 0 | 0 | 0 | 113.4 | L716 V717 S718 S722 F723 | L716-S720 PolarHBondContact O-N 2.88Å; V717-S720 WeakPolarHBondContact O-CB 3.43Å; V717-S720 PolarHBondContact O-N 3.08Å; V717-S720 PolarHBondContact O-OG 3.11Å; S718-S720 VanDerWaalsContact C-N 3.35Å; S718-S720 PolarHBondContact O-N 3.35Å; S720-S722 VanDerWaalsContact C-N 3.28Å; S720-S722 PolarHBondContact O-N 2.92Å; S720-F723 PolarHBondContact O-N 2.86Å |
| 721 | H | 91.9 | Very high | 92.6 | Very high | 115 Ų | 115 | 46.2 Ų | 46.2 | 53% | 0.532 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.8 | -26.8 | 175.7 | -76 | -65.9 | 0 | 0 | 0 | 114 | V717 S718 V719 Y776 | V717-H721 PolarHBondContact O-CD2 3.27Å; V717-H721 VanDerWaalsContact O-CD2 3.28Å; V717-H721 PolarHBondContact O-N 3.19Å; S718-H721 WeakPolarHBondContact O-CB 3.41Å; S718-H721 PolarHBondContact O-N 2.78Å; V719-H721 PolarHBondContact O-N 2.77Å; H721-Y776 AromaticContact CE1-CD1 3.28Å; H721-Y776 WeakPolarHBondContact CE1-CD1 3.26Å; H721-Y776 AromaticContact CE1-CD2 3.67Å; H721-Y776 AromaticContact CE1-CE1 3.54Å; H721-Y776 AromaticContact CE1-CE2 3.87Å; H721-Y776 AromaticContact CE1-CG 3.36Å; H721-Y776 AromaticContact CE1-CZ 3.82Å; H721-Y776 AromaticContact ND1-CD1 3.78Å; H721-Y776 AromaticContact ND1-CE1 3.54Å; H721-Y776 AromaticContact ND1-CZ 3.71Å; H721-Y776 AromaticContact NE2-CD1 3.61Å; H721-Y776 AromaticContact NE2-CG 3.82Å |
| 722 | S | 91.5 | Very high | 92.4 | Very high | 87 Ų | 87 | 48.8 Ų | 48.8 | 61% | 0.608 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -104 | -2.9 | -178 | 58.7 | 0 | 0 | 0 | 0 | 113 | V719 S720 V724 | V719-S722 PolarHBondContact O-N 2.77Å; V719-S722 PolarHBondContact O-OG 2.96Å; V719-S722 VanDerWaalsContact O-OG 3.08Å; S720-S722 VanDerWaalsContact C-N 3.28Å; S720-S722 PolarHBondContact O-N 2.92Å; S722-V724 PolarHBondContact O-N 2.77Å |
| 723 | F | 92.6 | Very high | 92.3 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 123 | -177.4 | -172 | -84 | 0 | 0 | 0 | 111.3 | F664 K667 L668 Q671 V719 S720 I725 L733 | F664-F723 AromaticContact CD2-CE1 3.66Å; F664-F723 HydrophobicContact CD2-CE1 3.66Å; F664-F723 HydrophobicContact CD2-CZ 4.07Å; F664-F723 HydrophobicContact CE2-CD1 4.25Å; F664-F723 AromaticContact CE2-CE1 3.48Å; F664-F723 HydrophobicContact CE2-CE1 3.48Å; F664-F723 VanDerWaalsContact CE2-CE1 3.48Å; F664-F723 HydrophobicContact CE2-CZ 4.15Å; K667-F723 HydrophobicContact CB-CE2 4.48Å; K667-F723 HydrophobicContact CB-CZ 4.13Å; K667-F723 HydrophobicContact CD-CE2 4.26Å; K667-F723 HydrophobicContact CD-CZ 3.96Å; K667-F723 HydrophobicContact CG-CE2 3.95Å; K667-F723 HydrophobicContact CG-CZ 3.92Å; L668-F723 VanDerWaalsContact CA-CE2 3.49Å; L668-F723 HydrophobicContact CB-CE1 4.45Å; L668-F723 HydrophobicContact CB-CE2 3.98Å; L668-F723 HydrophobicContact CB-CZ 3.79Å; L668-F723 HydrophobicContact CD1-CD2 3.88Å; L668-F723 HydrophobicContact CD1-CE2 3.92Å; L668-F723 HydrophobicContact CD1-CG 4.2Å; L668-F723 HydrophobicContact CD1-CZ 4.25Å; Q671-F723 VanDerWaalsContact OE1-CD2 3.25Å; V719-F723 PolarHBondContact O-N 2.67Å; S720-F723 PolarHBondContact O-N 2.86Å; F723-I725 HydrophobicContact CD1-CG1 4.4Å; F723-I725 HydrophobicContact CE1-CG1 4.35Å; F723-L733 HydrophobicContact CB-CB 4.2Å; F723-L733 HydrophobicContact CB-CD2 3.81Å; F723-L733 HydrophobicContact CD1-CB 4.07Å; F723-L733 HydrophobicContact CD1-CD2 3.63Å; F723-L733 HydrophobicContact CD1-CG 4.39Å; F723-L733 HydrophobicContact CE1-CD2 4.38Å; F723-L733 HydrophobicContact CG-CD2 3.73Å |
| 724 | V | 91.8 | Very high | 92.2 | Very high | 73 Ų | 73 | 52.7 Ų | 52.7 | 44% | 0.442 | 29% | 0.293 | S | S | . | . | B | Isolated β-bridge | trans | -100.7 | 119.7 | 175.6 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | K667 S722 P729 | K667-V724 PolarHBondContact NZ-O 3.22Å; S722-V724 PolarHBondContact O-N 2.77Å; V724-P729 HydrophobicContact CG1-CB 3.81Å |
| 725 | I | 92.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 121.4 | 176.4 | -56.5 | 179.3 | 0 | 0 | 0 | 108.7 | I652 F664 F723 H727 K728 E731 | I652-I725 HydrophobicContact CD1-CD1 4.05Å; F664-I725 HydrophobicContact CB-CG2 4.39Å; F664-I725 HydrophobicContact CD1-CG2 4.23Å; F664-I725 HydrophobicContact CD2-CB 4.46Å; F664-I725 HydrophobicContact CD2-CG1 4.28Å; F664-I725 HydrophobicContact CD2-CG2 3.96Å; F664-I725 HydrophobicContact CE1-CD1 4.49Å; F664-I725 HydrophobicContact CE2-CD1 4.37Å; F664-I725 HydrophobicContact CE2-CG1 3.88Å; F664-I725 HydrophobicContact CE2-CG2 4.35Å; F664-I725 HydrophobicContact CG-CG2 3.93Å; F664-I725 HydrophobicContact CZ-CD1 4.11Å; F664-I725 HydrophobicContact CZ-CG1 4.14Å; F723-I725 HydrophobicContact CD1-CG1 4.4Å; F723-I725 HydrophobicContact CE1-CG1 4.35Å; I725-H727 VanDerWaalsContact C-N 3.31Å; I725-H727 PolarHBondContact O-N 3.4Å; I725-H727 VanDerWaalsContact O-N 3.14Å; I725-K728 HydrophobicContact CB-CB 4.26Å; I725-K728 HydrophobicContact CG2-CB 4.08Å; I725-K728 CarbonylContact O-C 3.59Å; I725-K728 VanDerWaalsContact O-C 3.26Å; I725-K728 PolarHBondContact O-N 3.17Å; I725-E731 HydrophobicContact CD1-CB 4.37Å; I725-E731 HydrophobicContact CD1-CG 4.46Å |
| 726 | P | 91.3 | Very high | 92.3 | Very high | 46 Ų | 46 | 52.5 Ų | 52.5 | 30% | 0.299 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -43.7 | -170.5 | -30.8 | 35.6 | 0 | 0 | 0 | 115.5 | E663 K667 | E663-P726 HydrophobicContact CG-CG 4.5Å; K667-P726 HydrophobicContact CD-CG 3.67Å |
| 727 | H | 91.5 | Very high | 92.4 | Very high | 41 Ų | 41 | 52.5 Ų | 52.5 | 19% | 0.19 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -3 | -176.1 | 60.4 | -83.6 | 0 | 0 | 0 | 113.4 | S656 E660 I725 | S656-H727 WeakPolarHBondContact CB-NE2 3.45Å; S656-H727 PolarHBondContact OG-CD2 2.91Å; S656-H727 PolarHBondContact OG-NE2 2.75Å; E660-H727 HydrophobicContact CB-CB 4.11Å; E660-H727 HydrophobicContact CG-CB 3.81Å; E660-H727 PolarHBondContact O-CE1 2.92Å; E660-H727 PolarHBondContact O-ND1 3.09Å; I725-H727 VanDerWaalsContact C-N 3.31Å; I725-H727 PolarHBondContact O-N 3.4Å; I725-H727 VanDerWaalsContact O-N 3.14Å |
| 728 | K | 91.4 | Very high | 92.5 | Very high | 60 Ų | 60 | 51.9 Ų | 51.9 | 26% | 0.261 | 28% | 0.284 | S | S | . | . | trans | -142.4 | 69.6 | -179.3 | -74.5 | 176.1 | -174.1 | -75.4 | 0 | 110.5 | I652 S655 S656 I725 D730 E731 | I652-K728 HydrophobicContact CG2-CD 4.36Å; S655-K728 WeakPolarHBondContact OG-CE 3.29Å; S655-K728 PolarHBondContact OG-NZ 3.05Å; S656-K728 WeakPolarHBondContact OG-CE 3.36Å; I725-K728 HydrophobicContact CB-CB 4.26Å; I725-K728 HydrophobicContact CG2-CB 4.08Å; I725-K728 CarbonylContact O-C 3.59Å; I725-K728 VanDerWaalsContact O-C 3.26Å; I725-K728 PolarHBondContact O-N 3.17Å; K728-D730 PolarHBondContact O-N 2.96Å; K728-E731 HydrophobicContact CB-CB 4.07Å; K728-E731 PolarHBondContact O-N 3.07Å | ||
| 729 | P | 89.8 | Confident | 92.8 | Very high | 84 Ų | 84 | 48.3 Ų | 48.3 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -24.4 | -172.2 | 25.3 | -34.7 | 0 | 0 | 0 | 114.3 | V724 | V724-P729 HydrophobicContact CG1-CB 3.81Š|
| 730 | D | 90.6 | Very high | 93 | Very high | 157 Ų | 157 | 47.4 Ų | 47.4 | 84% | 0.84 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -10.2 | -178.9 | -56.6 | -49.5 | 0 | 0 | 0 | 113.7 | K728 P732 | K728-D730 PolarHBondContact O-N 2.96Å; D730-P732 WeakPolarHBondContact O-CD 3.49Å |
| 731 | E | 88.4 | Confident | 93.3 | Very high | 98 Ų | 98 | 47.5 Ų | 47.5 | 46% | 0.458 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -92.5 | 113.2 | 179.8 | -168.4 | 75.3 | -155.6 | 0 | 0 | 109.5 | I725 K728 L733 | I725-E731 HydrophobicContact CD1-CB 4.37Å; I725-E731 HydrophobicContact CD1-CG 4.46Å; K728-E731 HydrophobicContact CB-CB 4.07Å; K728-E731 PolarHBondContact O-N 3.07Å; E731-L733 PolarHBondContact O-N 2.96Å |
| 732 | P | 89.9 | Confident | 93.5 | Very high | 64 Ų | 64 | 42.2 Ų | 42.2 | 42% | 0.416 | 23% | 0.23 | S | C | . | . | B | Isolated β-bridge | trans | -70.8 | 133.6 | -178.9 | 28.1 | -34.3 | 0 | 0 | 0 | 111.1 | D730 K734 | D730-P732 WeakPolarHBondContact O-CD 3.49Å; P732-K734 PolarHBondContact O-N 3.38Å |
| 733 | L | 92.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | trans | -69.8 | 118.8 | 172.8 | -177.7 | 67.6 | 0 | 0 | 0 | 109.9 | I646 F664 L668 F723 E731 I735 Y776 | I646-L733 HydrophobicContact CD1-CD1 4.41Å; I646-L733 HydrophobicContact CG1-CD1 4.34Å; I646-L733 HydrophobicContact CG2-CD1 3.75Å; F664-L733 HydrophobicContact CE2-CD1 4.05Å; F664-L733 HydrophobicContact CZ-CD1 3.65Å; L668-L733 HydrophobicContact CD1-CD2 3.4Å; L668-L733 VanDerWaalsContact CD1-CD2 3.4Å; L668-L733 HydrophobicContact CD2-CD1 4.49Å; L668-L733 HydrophobicContact CD2-CD2 3.98Å; L668-L733 HydrophobicContact CG-CD2 4.32Å; F723-L733 HydrophobicContact CB-CB 4.2Å; F723-L733 HydrophobicContact CB-CD2 3.81Å; F723-L733 HydrophobicContact CD1-CB 4.07Å; F723-L733 HydrophobicContact CD1-CD2 3.63Å; F723-L733 HydrophobicContact CD1-CG 4.39Å; F723-L733 HydrophobicContact CE1-CD2 4.38Å; F723-L733 HydrophobicContact CG-CD2 3.73Å; E731-L733 PolarHBondContact O-N 2.96Å; L733-I735 HydrophobicContact CG-CG2 4.37Å; L733-Y776 WeakPolarHBondContact O-CE1 3.49Å; L733-Y776 PolarHBondContact O-OH 2.78Å | ||
| 734 | K | 93.9 | Very high | 93.9 | Very high | 80 Ų | 80 | 41.9 Ų | 41.9 | 35% | 0.348 | 23% | 0.226 | S | C | . | . | trans | -111.8 | 124.4 | 176.2 | -69.9 | 169.6 | -174 | 167 | 0 | 109 | V647 P732 A775 Y776 | V647-K734 HydrophobicContact CB-CB 3.84Å; V647-K734 HydrophobicContact CG2-CB 4.35Å; V647-K734 PolarHBondContact N-O 3.18Å; P732-K734 PolarHBondContact O-N 3.38Å; K734-A775 HydrophobicContact CB-CB 4.31Å; K734-Y776 HydrophobicContact CB-CE1 4.48Å; K734-Y776 HydrophobicContact CB-CE2 4.44Å; K734-Y776 HydrophobicContact CD-CE2 4.38Å; K734-Y776 HydrophobicContact CG-CD2 4.42Å; K734-Y776 HydrophobicContact CG-CE1 4.25Å; K734-Y776 HydrophobicContact CG-CE2 3.56Å; K734-Y776 VanDerWaalsContact CG-CZ 3.45Å; K734-Y776 VanDerWaalsContact CG-OH 3.26Å; K734-Y776 WeakPolarHBondContact CG-OH 3.19Å | ||
| 735 | I | 95.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 149 | 170.6 | 67.9 | 174.3 | 0 | 0 | 0 | 110.2 | D645 F672 V717 L733 V737 Y776 | D645-I735 WeakPolarHBondContact O-CA 3.41Å; F672-I735 HydrophobicContact CZ-CD1 4.3Å; V717-I735 HydrophobicContact CG2-CD1 4.01Å; V717-I735 HydrophobicContact CG2-CG1 4.26Å; L733-I735 HydrophobicContact CG-CG2 4.37Å; I735-V737 HydrophobicContact CD1-CG2 4.18Å; I735-V737 HydrophobicContact CG1-CG2 4.43Å; I735-Y776 WeakPolarHBondContact O-CA 3.21Å; I735-Y776 PolarHBondContact O-N 2.8Å |
| 736 | R | 95.7 | Very high | 94.1 | Very high | 65 Ų | 65 | 41 Ų | 41 | 25% | 0.245 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 143.9 | 166.1 | 56.7 | -177.9 | 168.6 | 161.6 | 9.1 | 108.6 | S644 D645 V647 E770 S771 | S644-R736 WeakPolarHBondContact CA-O 3.47Å; S644-R736 VanDerWaalsContact CB-O 3.3Å; S644-R736 WeakPolarHBondContact CB-O 3.22Å; D645-R736 HydrophobicContact CB-CG 4.07Å; D645-R736 PolarHBondContact N-O 3.44Å; D645-R736 PolarHBondContact O-N 3.06Å; D645-R736 VanDerWaalsContact O-N 3.13Å; D645-R736 IonicContact OD2-CZ 2.73Å; D645-R736 VanDerWaalsContact OD2-CZ 3.28Å; D645-R736 IonicContact OD2-NE 3.41Å; D645-R736 PolarHBondContact OD2-NE 3.03Å; D645-R736 IonicContact OD2-NH2 3.36Å; D645-R736 PolarHBondContact OD2-NH2 3.5Å; V647-R736 HydrophobicContact CG2-CB 4.02Å; V647-R736 HydrophobicContact CG2-CG 3.9Å; R736-E770 VanDerWaalsContact CD-OE1 3.27Å; R736-E770 WeakPolarHBondContact CD-OE1 3.28Å; R736-E770 HydrophobicContact CG-CG 4.41Å; R736-E770 WeakPolarHBondContact CG-OE1 3.28Å; R736-E770 IonicContact CZ-OE1 3.54Å; R736-E770 IonicContact NE-OE1 3.72Å; R736-E770 PolarHBondContact NE-OE1 3.18Å; R736-E770 IonicContact NH1-OE1 3.08Å; R736-E770 IonicContact NH2-OE1 2.86Å; R736-E770 PolarHBondContact NH2-OE1 3.18Å; R736-S771 PolarHBondContact NH1-O 3.26Å |
| 737 | V | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 136.3 | -172.5 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | Y642 F643 V717 I735 L739 K777 I778 H779 | Y642-V737 HydrophobicContact CD2-CG1 3.61Å; Y642-V737 HydrophobicContact CE2-CB 4.21Å; Y642-V737 HydrophobicContact CE2-CG1 3.29Å; Y642-V737 HydrophobicContact CE2-CG2 3.84Å; F643-V737 CarbonylContact O-C 3.34Å; F643-V737 WeakPolarHBondContact O-CA 3.27Å; V717-V737 HydrophobicContact CG2-CG2 3.93Å; I735-V737 HydrophobicContact CD1-CG2 4.18Å; I735-V737 HydrophobicContact CG1-CG2 4.43Å; V737-L739 HydrophobicContact CG1-CD2 3.83Å; V737-L739 HydrophobicContact CG1-CG 4.29Å; V737-K777 PolarHBondContact N-O 2.76Å; V737-K777 VanDerWaalsContact N-O 3.17Å; V737-I778 HydrophobicContact CB-CB 4.44Å; V737-I778 HydrophobicContact CB-CG1 4.11Å; V737-I778 HydrophobicContact CG1-CB 4.46Å; V737-I778 HydrophobicContact CG1-CG1 4.26Å; V737-I778 HydrophobicContact CG1-CG2 4.01Å; V737-I778 HydrophobicContact CG2-CG1 4.48Å; V737-H779 WeakPolarHBondContact O-CB 3.38Å; V737-H779 PolarHBondContact O-N 3.05Å |
| 738 | G | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 130.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | F643 E770 H779 | F643-G738 PolarHBondContact N-O 3.05Å; F643-G738 PolarHBondContact O-N 3.25Å; G738-E770 VanDerWaalsContact CA-N 3.32Å; G738-H779 CarbonylContact C-O 3.13Å; G738-H779 WeakPolarHBondContact CA-O 3.35Å |
| 739 | L | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132 | -179 | -51.2 | -174 | 0 | 0 | 0 | 111.8 | I641 Y642 I709 V737 I778 H779 C780 S781 T784 I815 | I641-L739 WeakPolarHBondContact O-CA 3.47Å; Y642-L739 HydrophobicContact CD2-CD2 3.73Å; Y642-L739 HydrophobicContact CG-CD2 4.29Å; I709-L739 HydrophobicContact CG2-CD1 4.2Å; I709-L739 HydrophobicContact CG2-CD2 3.48Å; I709-L739 VanDerWaalsContact CG2-CD2 3.48Å; I709-L739 HydrophobicContact CG2-CG 4.4Å; V737-L739 HydrophobicContact CG1-CD2 3.83Å; V737-L739 HydrophobicContact CG1-CG 4.29Å; L739-I778 HydrophobicContact CD1-CG2 3.5Å; L739-I778 HydrophobicContact CG-CG2 3.84Å; L739-H779 PolarHBondContact N-O 3.45Å; L739-C780 HydrophobicContact CB-CB 3.87Å; L739-C780 HydrophobicContact CD1-CB 4.47Å; L739-C780 WeakPolarHBondContact O-CA 3.32Å; L739-S781 PolarHBondContact O-N 2.74Å; L739-T784 HydrophobicContact CB-CG2 4.27Å; L739-I815 HydrophobicContact CD1-CD1 3.69Å |
| 740 | H | 97.7 | Very high | 92.8 | Very high | 16 Ų | 16 | 37.2 Ų | 37.2 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 145.1 | 170 | -178.6 | 60.7 | 0 | 0 | 0 | 111.7 | T640 I641 T765 A766 S781 T783 T784 | T640-H740 WeakPolarHBondContact CA-O 3.41Å; I641-H740 PolarHBondContact N-O 2.64Å; I641-H740 PolarHBondContact O-N 3.22Å; H740-T765 HydrophobicContact CB-CG2 4.26Å; H740-T765 WeakPolarHBondContact CD2-CB 3.31Å; H740-A766 HydrophobicContact CB-CB 3.85Å; H740-S781 WeakPolarHBondContact ND1-CB 3.34Å; H740-S781 PolarHBondContact ND1-OG 3.43Å; H740-T783 PolarHBondContact CE1-OG1 3.01Å; H740-T783 PolarHBondContact ND1-OG1 3.41Å; H740-T784 VanDerWaalsContact C-OG1 3.22Å; H740-T784 WeakPolarHBondContact CA-OG1 3.19Å |
| 741 | S | 98 | Very high | 92.1 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.7 | -180 | -55.8 | 0 | 0 | 0 | 0 | 110.4 | C639 T640 T783 T784 | C639-S741 WeakPolarHBondContact O-CA 3.26Å; T640-S741 PolarHBondContact OG1-OG 2.99Å; S741-T783 WeakPolarHBondContact O-CB 3.45Å; S741-T783 PolarHBondContact O-OG1 3.48Å; S741-T784 PolarHBondContact N-OG1 3.45Å; S741-T784 WeakPolarHBondContact OG-CA 3.17Å; S741-T784 WeakPolarHBondContact OG-CB 3.39Å; S741-T784 PolarHBondContact OG-OG1 3.31Å |
| 742 | G | 96.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | -177.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | C639 T762 | C639-G742 PolarHBondContact N-O 2.77Å; C639-G742 PolarHBondContact O-N 3.44Å; C639-G742 PolarHBondContact SG-O 3.24Å; G742-T762 VanDerWaalsContact C-OG1 3.25Å; G742-T762 WeakPolarHBondContact CA-OG1 3.29Å |
| 743 | P | 97 | Very high | 90.7 | Very high | 80 Ų | 80 | 46.4 Ų | 46.4 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 148.1 | -178.7 | 30.1 | -34.9 | 0 | 0 | 0 | 112.6 | F636 E637 T762 | F636-P743 CarbonylContact O-C 3.55Å; F636-P743 WeakPolarHBondContact O-CA 3.48Å; E637-P743 WeakPolarHBondContact O-CA 3.33Å; E637-P743 WeakPolarHBondContact O-CB 3.31Å; P743-T762 VanDerWaalsContact O-CB 3.3Å; P743-T762 WeakPolarHBondContact O-CB 3.2Å; P743-T762 PolarHBondContact O-OG1 3.45Å |
| 744 | V | 96 | Very high | 90 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 155.8 | 175.3 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | F636 C639 I641 V697 L758 T762 V763 | F636-V744 HydrophobicContact CB-CG2 3.89Å; F636-V744 HydrophobicContact CD2-CG2 4.5Å; F636-V744 PolarHBondContact N-O 3.19Å; F636-V744 PolarHBondContact O-N 3.12Å; C639-V744 HydrophobicContact CB-CG2 4.19Å; C639-V744 WeakPolarHBondContact SG-CG1 3.49Å; C639-V744 WeakPolarHBondContact SG-CG2 3.34Å; I641-V744 HydrophobicContact CD1-CG1 3.97Å; V697-V744 HydrophobicContact CG1-CG2 3.88Å; V744-L758 HydrophobicContact CG2-CD2 4.1Å; V744-T762 HydrophobicContact CG1-CG2 4.1Å; V744-V763 HydrophobicContact CG1-CG2 4.37Å |
| 745 | C | 94.3 | Very high | 89.6 | Confident | 52 Ų | 52 | 50.1 Ų | 50.1 | 35% | 0.351 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 130.6 | 163.3 | -178 | 0 | 0 | 0 | 0 | 108.8 | E634 F759 | E634-C745 CarbonylContact O-C 3.58Å; E634-C745 WeakPolarHBondContact O-CA 3.29Å; C745-F759 PolarHBondContact N-O 3.48Å; C745-F759 PolarHBondContact O-N 2.61Å |
| 746 | A | 92.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 149.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P633 E634 F636 Y756 C757 L758 | P633-A746 CarbonylContact C-O 3.6Å; P633-A746 VanDerWaalsContact CA-O 3.31Å; P633-A746 WeakPolarHBondContact CA-O 3.48Å; E634-A746 PolarHBondContact N-O 3.11Å; E634-A746 PolarHBondContact O-N 3.03Å; F636-A746 HydrophobicContact CD2-CB 4.08Å; F636-A746 HydrophobicContact CE2-CB 3.76Å; A746-Y756 HydrophobicContact CB-CE1 3.82Å; A746-Y756 HydrophobicContact CB-CE2 4.22Å; A746-Y756 VanDerWaalsContact CB-OH 3.24Å; A746-Y756 WeakPolarHBondContact CB-OH 3.46Å; A746-C757 VanDerWaalsContact CA-O 3.29Å; A746-C757 WeakPolarHBondContact CA-O 3.2Å; A746-L758 HydrophobicContact CB-CD2 3.54Å |
| 747 | G | 89.2 | Confident | 89 | Confident | 6 Ų | 6 | 48 Ų | 48 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | 164.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C757 | G747-C757 PolarHBondContact N-O 3.4Å; G747-C757 VanDerWaalsContact N-O 3.07Å; G747-C757 PolarHBondContact O-N 2.84Å |
| 748 | V | 87.4 | Confident | 88.7 | Confident | 34 Ų | 34 | 48.7 Ų | 48.7 | 21% | 0.206 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 124 | 175.8 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | V621 V631 P754 R755 Y756 | V621-V748 HydrophobicContact CB-CG2 4.5Å; V621-V748 HydrophobicContact CG1-CG2 3.36Å; V621-V748 HydrophobicContact CG2-CG2 4.32Å; V631-V748 HydrophobicContact CB-CB 4.35Å; V631-V748 HydrophobicContact CB-CG2 4Å; V631-V748 HydrophobicContact CG1-CG2 3.78Å; V631-V748 HydrophobicContact CG2-CG2 4.29Å; V748-P754 HydrophobicContact CG1-CB 3.45Å; V748-P754 VanDerWaalsContact CG1-CB 3.45Å; V748-R755 CarbonylContact C-O 3.54Å; V748-R755 VanDerWaalsContact CA-O 3.27Å; V748-R755 WeakPolarHBondContact CA-O 3.44Å; V748-Y756 HydrophobicContact CG2-CD2 4.12Å |
| 749 | V | 84.2 | Confident | 88.5 | Confident | 66 Ų | 66 | 53.6 Ų | 53.6 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.6 | 177.8 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | P754 R755 C757 F759 | V749-P754 WeakPolarHBondContact O-CA 3.33Å; V749-R755 PolarHBondContact N-O 2.93Å; V749-R755 PolarHBondContact O-N 3.07Å; V749-R755 VanDerWaalsContact O-N 3.12Å; V749-C757 HydrophobicContact CG2-CB 4.34Å; V749-F759 HydrophobicContact CG2-CE2 4.04Å; V749-F759 HydrophobicContact CG2-CZ 3.78Å |
| 750 | G | 76.8 | Confident | 88.2 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 49% | 0.485 | 31% | 0.307 | S | S | . | . | trans | 87.4 | 148 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P754 | G750-P754 WeakPolarHBondContact O-CA 3.46Š| ||
| 751 | L | 74.5 | Confident | 87.9 | Confident | 180 Ų | 180 | 59 Ų | 59 | 94% | 0.942 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -96.6 | -35.9 | 178.6 | -63.7 | 175.1 | 0 | 0 | 0 | 112.9 | ||
| 752 | K | 72.7 | Confident | 87.8 | Confident | 201 Ų | 201 | 59 Ų | 59 | 87% | 0.874 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -79.3 | -33.8 | -176.6 | -171.3 | 172.4 | -178.5 | 177.2 | 0 | 112.9 | ||
| 753 | M | 76.4 | Confident | 87.7 | Confident | 131 Ų | 131 | 59.8 Ų | 59.8 | 65% | 0.645 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -139.8 | 76.8 | 176 | -68.1 | -170.5 | -62.4 | 0 | 0 | 107.7 | R755 | M753-R755 PolarHBondContact O-N 3.36Š|
| 754 | P | 79.2 | Confident | 87.5 | Confident | 45 Ų | 45 | 61 Ų | 61 | 29% | 0.292 | 33% | 0.333 | S | S | . | . | trans | -61.7 | 129.9 | -178.3 | 24.9 | -33.1 | 0 | 0 | 0 | 110.1 | L617 V748 V749 G750 | L617-P754 HydrophobicContact CD1-CB 4.22Å; L617-P754 HydrophobicContact CD1-CG 4.02Å; V748-P754 HydrophobicContact CG1-CB 3.45Å; V748-P754 VanDerWaalsContact CG1-CB 3.45Å; V749-P754 WeakPolarHBondContact O-CA 3.33Å; G750-P754 WeakPolarHBondContact O-CA 3.46Å | ||
| 755 | R | 84.5 | Confident | 87.4 | Confident | 113 Ų | 113 | 60.7 Ų | 60.7 | 43% | 0.426 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 136 | 175.8 | -64.7 | -171.7 | -62.3 | -89.6 | -0.3 | 110.4 | E685 V748 V749 M753 C757 | E685-R755 WeakPolarHBondContact OE1-CB 3.39Å; E685-R755 WeakPolarHBondContact OE1-CD 3.46Å; E685-R755 IonicContact OE1-NE 2.69Å; E685-R755 PolarHBondContact OE1-NE 3.17Å; V748-R755 CarbonylContact C-O 3.54Å; V748-R755 VanDerWaalsContact CA-O 3.27Å; V748-R755 WeakPolarHBondContact CA-O 3.44Å; V749-R755 PolarHBondContact N-O 2.93Å; V749-R755 PolarHBondContact O-N 3.07Å; V749-R755 VanDerWaalsContact O-N 3.12Å; M753-R755 PolarHBondContact O-N 3.36Å; R755-C757 PolarHBondContact O-N 2.94Å |
| 756 | Y | 88.3 | Confident | 87.5 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 96.7 | 176.5 | -170.6 | -100 | 0 | 0 | 0 | 109.2 | P618 V621 Y682 P698 A746 V748 | P618-Y756 HydrophobicContact CG-CD1 4.01Å; P618-Y756 HydrophobicContact CG-CD2 4.3Å; P618-Y756 HydrophobicContact CG-CE1 4.46Å; P618-Y756 HydrophobicContact CG-CG 3.9Å; V621-Y756 HydrophobicContact CG2-CD2 3.75Å; V621-Y756 HydrophobicContact CG2-CE2 3.9Å; Y682-Y756 HydrophobicContact CD1-CD1 4.16Å; Y682-Y756 AromaticContact CE1-CD1 3.59Å; Y682-Y756 HydrophobicContact CE1-CD1 3.59Å; Y682-Y756 HydrophobicContact CE1-CE1 4.47Å; Y682-Y756 HydrophobicContact CE1-CG 4.34Å; P698-Y756 HydrophobicContact CB-CE1 4.12Å; P698-Y756 WeakPolarHBondContact CB-OH 3.44Å; A746-Y756 HydrophobicContact CB-CE1 3.82Å; A746-Y756 HydrophobicContact CB-CE2 4.22Å; A746-Y756 VanDerWaalsContact CB-OH 3.24Å; A746-Y756 WeakPolarHBondContact CB-OH 3.46Å; V748-Y756 HydrophobicContact CG2-CD2 4.12Å |
| 757 | C | 90.1 | Very high | 87.5 | Confident | 14 Ų | 14 | 60.2 Ų | 60.2 | 10% | 0.095 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 151.5 | -171.7 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | E685 A746 G747 V749 R755 F759 | E685-C757 PolarHBondContact OE1-SG 3.36Å; A746-C757 VanDerWaalsContact CA-O 3.29Å; A746-C757 WeakPolarHBondContact CA-O 3.2Å; G747-C757 PolarHBondContact N-O 3.4Å; G747-C757 VanDerWaalsContact N-O 3.07Å; G747-C757 PolarHBondContact O-N 2.84Å; V749-C757 HydrophobicContact CG2-CB 4.34Å; R755-C757 PolarHBondContact O-N 2.94Å; C757-F759 HydrophobicContact CB-CE1 4.34Å; C757-F759 HydrophobicContact CB-CE2 3.58Å; C757-F759 HydrophobicContact CB-CZ 3.45Å; C757-F759 VanDerWaalsContact CB-CZ 3.45Å |
| 758 | L | 92.4 | Very high | 87.7 | Confident | 13 Ų | 13 | 64.2 Ų | 64.2 | 7% | 0.068 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 137.8 | 171.5 | -62.7 | 175.3 | 0 | 0 | 0 | 110.5 | I641 V684 M692 A694 V697 V744 A746 V763 | I641-L758 HydrophobicContact CD1-CD1 4.42Å; V684-L758 HydrophobicContact CG1-CB 4.44Å; V684-L758 HydrophobicContact CG1-CD1 4.34Å; V684-L758 HydrophobicContact CG1-CG 4.1Å; V684-L758 HydrophobicContact CG2-CD1 3.51Å; V684-L758 HydrophobicContact CG2-CG 4.06Å; M692-L758 HydrophobicContact CE-CB 4.23Å; M692-L758 HydrophobicContact CE-CD1 3.99Å; A694-L758 HydrophobicContact CB-CD1 3.52Å; V697-L758 HydrophobicContact CB-CD2 4.25Å; V697-L758 HydrophobicContact CG1-CD2 4.15Å; V697-L758 HydrophobicContact CG2-CD1 3.96Å; V697-L758 HydrophobicContact CG2-CD2 4.01Å; V744-L758 HydrophobicContact CG2-CD2 4.1Å; A746-L758 HydrophobicContact CB-CD2 3.54Å; L758-V763 HydrophobicContact CB-CG2 4.05Å |
| 759 | F | 91.6 | Very high | 88.2 | Confident | 103 Ų | 103 | 62.6 Ų | 62.6 | 45% | 0.452 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149.5 | -179.1 | -56.5 | -79 | 0 | 0 | 0 | 110.9 | C745 V749 C757 | C745-F759 PolarHBondContact N-O 3.48Å; C745-F759 PolarHBondContact O-N 2.61Å; V749-F759 HydrophobicContact CG2-CE2 4.04Å; V749-F759 HydrophobicContact CG2-CZ 3.78Å; C757-F759 HydrophobicContact CB-CE1 4.34Å; C757-F759 HydrophobicContact CB-CE2 3.58Å; C757-F759 HydrophobicContact CB-CZ 3.45Å; C757-F759 VanDerWaalsContact CB-CZ 3.45Å |
| 760 | G | 92 | Very high | 88.7 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 40% | 0.402 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 130.2 | 174.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T762 V763 | G760-T762 PolarHBondContact O-N 2.85Å; G760-V763 WeakPolarHBondContact O-CB 3.31Å; G760-V763 PolarHBondContact O-N 3.11Å |
| 761 | D | 92.8 | Very high | 89.4 | Confident | 90 Ų | 90 | 59.9 Ų | 59.9 | 48% | 0.481 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.6 | -28.3 | -178.1 | 179.1 | 69.2 | 0 | 0 | 0 | 113.2 | V763 N764 T765 K807 | D761-V763 VanDerWaalsContact C-N 3.33Å; D761-V763 PolarHBondContact O-N 2.94Å; D761-N764 PolarHBondContact O-N 3.06Å; D761-T765 WeakPolarHBondContact O-CB 3.46Å; D761-T765 PolarHBondContact O-N 3.19Å; D761-T765 PolarHBondContact O-OG1 3.47Å; D761-K807 WeakPolarHBondContact OD1-CE 3.49Å; D761-K807 IonicContact OD1-NZ 3.09Å; D761-K807 PolarHBondContact OD1-NZ 3.28Å; D761-K807 IonicContact OD2-NZ 2.79Å; D761-K807 PolarHBondContact OD2-NZ 2.58Å |
| 762 | T | 95.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 174.8 | -56 | 0 | 0 | 0 | 0 | 112 | I641 G742 P743 V744 G760 T765 A766 | I641-T762 HydrophobicContact CD1-CG2 3.95Å; I641-T762 HydrophobicContact CG1-CG2 4.36Å; G742-T762 VanDerWaalsContact C-OG1 3.25Å; G742-T762 WeakPolarHBondContact CA-OG1 3.29Å; P743-T762 VanDerWaalsContact O-CB 3.3Å; P743-T762 WeakPolarHBondContact O-CB 3.2Å; P743-T762 PolarHBondContact O-OG1 3.45Å; V744-T762 HydrophobicContact CG1-CG2 4.1Å; G760-T762 PolarHBondContact O-N 2.85Å; T762-T765 PolarHBondContact O-N 2.95Å; T762-A766 WeakPolarHBondContact O-CB 3.07Å; T762-A766 PolarHBondContact O-N 2.91Å |
| 763 | V | 93.9 | Very high | 91.3 | Very high | 21 Ų | 21 | 44.2 Ų | 44.2 | 13% | 0.127 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -48.2 | 177.6 | -177 | 0 | 0 | 0 | 0 | 110.2 | I641 F643 M692 V744 L758 G760 D761 T765 A766 S767 | I641-V763 HydrophobicContact CD1-CB 4.22Å; I641-V763 HydrophobicContact CD1-CG2 3.66Å; F643-V763 HydrophobicContact CE2-CG1 3.97Å; F643-V763 WeakPolarHBondContact CE2-O 3.39Å; F643-V763 HydrophobicContact CZ-CG1 3.8Å; M692-V763 HydrophobicContact CE-CG1 3.88Å; M692-V763 HydrophobicContact CE-CG2 4.33Å; V744-V763 HydrophobicContact CG1-CG2 4.37Å; L758-V763 HydrophobicContact CB-CG2 4.05Å; G760-V763 WeakPolarHBondContact O-CB 3.31Å; G760-V763 PolarHBondContact O-N 3.11Å; D761-V763 VanDerWaalsContact C-N 3.33Å; D761-V763 PolarHBondContact O-N 2.94Å; V763-T765 VanDerWaalsContact C-N 3.33Å; V763-T765 PolarHBondContact O-N 3.29Å; V763-A766 PolarHBondContact O-N 2.99Å; V763-S767 PolarHBondContact O-N 3.24Å |
| 764 | N | 92.8 | Very high | 92.2 | Very high | 106 Ų | 106 | 42 Ų | 42 | 57% | 0.567 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -62.1 | -41.5 | 179.1 | -69 | -43.2 | 0 | 0 | 0 | 111.6 | D761 R768 | D761-N764 PolarHBondContact O-N 3.06Å; N764-R768 VanDerWaalsContact O-CG 3.25Å; N764-R768 WeakPolarHBondContact O-CG 3.36Å; N764-R768 PolarHBondContact O-N 3.37Å |
| 765 | T | 94.9 | Very high | 93 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.9 | -40.6 | 180 | -51.3 | 0 | 0 | 0 | 0 | 111.6 | H740 D761 T762 V763 R768 M769 K807 M810 | H740-T765 HydrophobicContact CB-CG2 4.26Å; H740-T765 WeakPolarHBondContact CD2-CB 3.31Å; D761-T765 WeakPolarHBondContact O-CB 3.46Å; D761-T765 PolarHBondContact O-N 3.19Å; D761-T765 PolarHBondContact O-OG1 3.47Å; T762-T765 PolarHBondContact O-N 2.95Å; V763-T765 VanDerWaalsContact C-N 3.33Å; V763-T765 PolarHBondContact O-N 3.29Å; T765-R768 WeakPolarHBondContact O-CB 3.36Å; T765-R768 PolarHBondContact O-N 3.21Å; T765-R768 VanDerWaalsContact O-N 3.11Å; T765-M769 WeakPolarHBondContact O-CG 3.45Å; T765-M769 PolarHBondContact O-N 2.86Å; T765-K807 WeakPolarHBondContact OG1-CE 3.46Å; T765-K807 PolarHBondContact OG1-NZ 2.88Å; T765-M810 HydrophobicContact CG2-CE 4.06Å |
| 766 | A | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.1 | -45.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I641 F643 H740 T762 V763 R768 M769 E770 | I641-A766 HydrophobicContact CB-CB 3.8Å; I641-A766 HydrophobicContact CG2-CB 3.79Å; F643-A766 HydrophobicContact CD2-CB 3.57Å; F643-A766 HydrophobicContact CE2-CB 3.92Å; H740-A766 HydrophobicContact CB-CB 3.85Å; T762-A766 WeakPolarHBondContact O-CB 3.07Å; T762-A766 PolarHBondContact O-N 2.91Å; V763-A766 PolarHBondContact O-N 2.99Å; A766-R768 VanDerWaalsContact C-N 3.27Å; A766-R768 PolarHBondContact O-N 3.48Å; A766-M769 WeakPolarHBondContact O-CB 3.36Å; A766-M769 PolarHBondContact O-N 2.82Å; A766-E770 PolarHBondContact O-N 2.88Å; A766-E770 VanDerWaalsContact O-N 3.11Å |
| 767 | S | 93.6 | Very high | 93.9 | Very high | 43 Ų | 43 | 42.4 Ų | 42.4 | 30% | 0.301 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.5 | -35.3 | 172.8 | 169.7 | 0 | 0 | 0 | 0 | 112.1 | V763 E770 S771 | V763-S767 PolarHBondContact O-N 3.24Å; S767-E770 PolarHBondContact O-N 3.44Å; S767-S771 PolarHBondContact O-N 2.99Å; S767-S771 PolarHBondContact O-OG 2.98Å |
| 768 | R | 94 | Very high | 94.3 | Very high | 90 Ų | 90 | 41.9 Ų | 41.9 | 34% | 0.34 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.1 | -43.1 | 174.4 | -70.1 | -70.4 | 178.9 | -142.4 | -13.7 | 112.5 | N764 T765 A766 E770 S771 T772 V804 K805 | N764-R768 VanDerWaalsContact O-CG 3.25Å; N764-R768 WeakPolarHBondContact O-CG 3.36Å; N764-R768 PolarHBondContact O-N 3.37Å; T765-R768 WeakPolarHBondContact O-CB 3.36Å; T765-R768 PolarHBondContact O-N 3.21Å; T765-R768 VanDerWaalsContact O-N 3.11Å; A766-R768 VanDerWaalsContact C-N 3.27Å; A766-R768 PolarHBondContact O-N 3.48Å; R768-E770 PolarHBondContact O-N 3.15Å; R768-S771 WeakPolarHBondContact CA-OG 3.46Å; R768-S771 PolarHBondContact O-N 2.86Å; R768-S771 PolarHBondContact O-OG 3.23Å; R768-T772 PolarHBondContact O-N 3.24Å; R768-T772 PolarHBondContact O-OG1 3.28Å; R768-V804 HydrophobicContact CB-CG1 3.56Å; R768-V804 HydrophobicContact CG-CG1 3.75Å; R768-K805 PolarHBondContact NE-O 3.05Å |
| 769 | M | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.2 | -40.4 | 174.9 | -61.5 | -61.1 | 90.1 | 0 | 0 | 110.6 | T765 A766 T772 G773 H779 V804 M810 T812 | T765-M769 WeakPolarHBondContact O-CG 3.45Å; T765-M769 PolarHBondContact O-N 2.86Å; A766-M769 WeakPolarHBondContact O-CB 3.36Å; A766-M769 PolarHBondContact O-N 2.82Å; M769-T772 PolarHBondContact O-OG1 3.28Å; M769-G773 PolarHBondContact O-N 2.93Å; M769-G773 VanDerWaalsContact O-N 3.08Å; M769-H779 PolarHBondContact O-ND1 3.39Å; M769-V804 HydrophobicContact CE-CG1 4.49Å; M769-V804 HydrophobicContact CE-CG2 3.85Å; M769-M810 HydrophobicContact CE-SD 4.44Å; M769-T812 HydrophobicContact CE-CG2 4.21Å; M769-T812 HydrophobicContact SD-CG2 3.77Å |
| 770 | E | 95.1 | Very high | 94.8 | Very high | 13 Ų | 13 | 36.4 Ų | 36.4 | 6% | 0.061 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -53.6 | 176 | 172.8 | -74.9 | 120.7 | 0 | 0 | 110.4 | F643 D645 R736 G738 A766 S767 R768 T772 G773 | F643-E770 HydrophobicContact CB-CB 3.7Å; F643-E770 HydrophobicContact CB-CG 4.04Å; D645-E770 VanDerWaalsContact CB-CD 3.5Å; D645-E770 HydrophobicContact CB-CG 4.06Å; D645-E770 WeakPolarHBondContact CB-OE1 3.47Å; R736-E770 VanDerWaalsContact CD-OE1 3.27Å; R736-E770 WeakPolarHBondContact CD-OE1 3.28Å; R736-E770 HydrophobicContact CG-CG 4.41Å; R736-E770 WeakPolarHBondContact CG-OE1 3.28Å; R736-E770 IonicContact CZ-OE1 3.54Å; R736-E770 IonicContact NE-OE1 3.72Å; R736-E770 PolarHBondContact NE-OE1 3.18Å; R736-E770 IonicContact NH1-OE1 3.08Å; R736-E770 IonicContact NH2-OE1 2.86Å; R736-E770 PolarHBondContact NH2-OE1 3.18Å; G738-E770 VanDerWaalsContact CA-N 3.32Å; A766-E770 PolarHBondContact O-N 2.88Å; A766-E770 VanDerWaalsContact O-N 3.11Å; S767-E770 PolarHBondContact O-N 3.44Å; R768-E770 PolarHBondContact O-N 3.15Å; E770-T772 PolarHBondContact O-N 2.72Å; E770-T772 VanDerWaalsContact O-N 3.16Å; E770-G773 WeakPolarHBondContact O-CA 3.49Å; E770-G773 PolarHBondContact O-N 3.19Å |
| 771 | S | 92.7 | Very high | 95.1 | Very high | 43 Ų | 43 | 34.6 Ų | 34.6 | 30% | 0.301 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63 | -28.9 | -174.8 | 69.4 | 0 | 0 | 0 | 0 | 113.7 | R736 S767 R768 | R736-S771 PolarHBondContact NH1-O 3.26Å; S767-S771 PolarHBondContact O-N 2.99Å; S767-S771 PolarHBondContact O-OG 2.98Å; R768-S771 WeakPolarHBondContact CA-OG 3.46Å; R768-S771 PolarHBondContact O-N 2.86Å; R768-S771 PolarHBondContact O-OG 3.23Å |
| 772 | T | 93.7 | Very high | 95.2 | Very high | 39 Ų | 39 | 33.4 Ų | 33.4 | 24% | 0.239 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -4.5 | 173.9 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | R768 M769 E770 H779 R799 I802 | R768-T772 PolarHBondContact O-N 3.24Å; R768-T772 PolarHBondContact O-OG1 3.28Å; M769-T772 PolarHBondContact O-OG1 3.28Å; E770-T772 PolarHBondContact O-N 2.72Å; E770-T772 VanDerWaalsContact O-N 3.16Å; T772-H779 PolarHBondContact OG1-CE1 3.14Å; T772-H779 PolarHBondContact OG1-ND1 3.16Å; T772-R799 PolarHBondContact O-NH1 2.77Å; T772-R799 PolarHBondContact O-NH2 3.43Å; T772-I802 HydrophobicContact CG2-CD1 4.45Å |
| 773 | G | 93.5 | Very high | 95.3 | Very high | 13 Ų | 13 | 36.4 Ų | 36.4 | 13% | 0.134 | 20% | 0.195 | C | C | . | . | trans | -69.2 | 173.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | M769 E770 | M769-G773 PolarHBondContact O-N 2.93Å; M769-G773 VanDerWaalsContact O-N 3.08Å; E770-G773 WeakPolarHBondContact O-CA 3.49Å; E770-G773 PolarHBondContact O-N 3.19Å | ||
| 774 | E | 95.3 | Very high | 95.5 | Very high | 83 Ų | 83 | 35.4 Ų | 35.4 | 39% | 0.388 | 19% | 0.189 | S | C | . | . | trans | -115.9 | 155.2 | 176.3 | -71.5 | 172.5 | -154.5 | 0 | 0 | 109.7 | Y776 K777 W814 | E774-Y776 PolarHBondContact O-N 2.61Å; E774-K777 HydrophobicContact CB-CB 4.31Å; E774-K777 HydrophobicContact CB-CD 4.04Å; E774-K777 HydrophobicContact CB-CG 4.27Å; E774-K777 PolarHBondContact O-N 2.92Å; E774-K777 VanDerWaalsContact O-N 3.12Å; E774-K777 WeakPolarHBondContact OE2-CE 3.48Å; E774-K777 IonicContact OE2-NZ 3.75Å; E774-K777 PolarHBondContact OE2-NZ 3.11Å; E774-W814 HydrophobicContact CB-CH2 3.91Å; E774-W814 HydrophobicContact CB-CZ2 4.44Å; E774-W814 HydrophobicContact CG-CH2 3.87Å; E774-W814 HydrophobicContact CG-CZ2 4.06Å | ||
| 775 | A | 94.9 | Very high | 95.7 | Very high | 42 Ų | 42 | 31 Ų | 31 | 35% | 0.347 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 136.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | V647 K734 K777 | V647-A775 HydrophobicContact CG2-CB 4.09Å; K734-A775 HydrophobicContact CB-CB 4.31Å; A775-K777 PolarHBondContact O-N 2.66Å |
| 776 | Y | 95.6 | Very high | 95.8 | Very high | 62 Ų | 62 | 33.3 Ų | 33.3 | 24% | 0.243 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 13.2 | -176.1 | -56.2 | -60.7 | 0 | 0 | 0 | 115.7 | H721 L733 K734 I735 E774 | H721-Y776 AromaticContact CE1-CD1 3.28Å; H721-Y776 WeakPolarHBondContact CE1-CD1 3.26Å; H721-Y776 AromaticContact CE1-CD2 3.67Å; H721-Y776 AromaticContact CE1-CE1 3.54Å; H721-Y776 AromaticContact CE1-CE2 3.87Å; H721-Y776 AromaticContact CE1-CG 3.36Å; H721-Y776 AromaticContact CE1-CZ 3.82Å; H721-Y776 AromaticContact ND1-CD1 3.78Å; H721-Y776 AromaticContact ND1-CE1 3.54Å; H721-Y776 AromaticContact ND1-CZ 3.71Å; H721-Y776 AromaticContact NE2-CD1 3.61Å; H721-Y776 AromaticContact NE2-CG 3.82Å; L733-Y776 WeakPolarHBondContact O-CE1 3.49Å; L733-Y776 PolarHBondContact O-OH 2.78Å; K734-Y776 HydrophobicContact CB-CE1 4.48Å; K734-Y776 HydrophobicContact CB-CE2 4.44Å; K734-Y776 HydrophobicContact CD-CE2 4.38Å; K734-Y776 HydrophobicContact CG-CD2 4.42Å; K734-Y776 HydrophobicContact CG-CE1 4.25Å; K734-Y776 HydrophobicContact CG-CE2 3.56Å; K734-Y776 VanDerWaalsContact CG-CZ 3.45Å; K734-Y776 VanDerWaalsContact CG-OH 3.26Å; K734-Y776 WeakPolarHBondContact CG-OH 3.19Å; I735-Y776 WeakPolarHBondContact O-CA 3.21Å; I735-Y776 PolarHBondContact O-N 2.8Å; E774-Y776 PolarHBondContact O-N 2.61Å |
| 777 | K | 96.6 | Very high | 95.8 | Very high | 73 Ų | 73 | 34 Ų | 34 | 32% | 0.317 | 19% | 0.188 | S | C | . | . | trans | -113.3 | 149.5 | 177.9 | -62.5 | -165.6 | -176.4 | 168.3 | 0 | 112.2 | V737 E774 A775 W814 | V737-K777 PolarHBondContact N-O 2.76Å; V737-K777 VanDerWaalsContact N-O 3.17Å; E774-K777 HydrophobicContact CB-CB 4.31Å; E774-K777 HydrophobicContact CB-CD 4.04Å; E774-K777 HydrophobicContact CB-CG 4.27Å; E774-K777 PolarHBondContact O-N 2.92Å; E774-K777 VanDerWaalsContact O-N 3.12Å; E774-K777 WeakPolarHBondContact OE2-CE 3.48Å; E774-K777 IonicContact OE2-NZ 3.75Å; E774-K777 PolarHBondContact OE2-NZ 3.11Å; A775-K777 PolarHBondContact O-N 2.66Å; K777-W814 HydrophobicContact CB-CD2 4.41Å; K777-W814 HydrophobicContact CB-CE3 3.6Å; K777-W814 HydrophobicContact CB-CH2 4.25Å; K777-W814 HydrophobicContact CB-CZ3 3.48Å; K777-W814 VanDerWaalsContact CB-CZ3 3.48Å; K777-W814 HydrophobicContact CD-CD2 4.03Å; K777-W814 HydrophobicContact CD-CE3 4.04Å; K777-W814 HydrophobicContact CD-CH2 4.29Å; K777-W814 HydrophobicContact CD-CZ2 4.28Å; K777-W814 HydrophobicContact CD-CZ3 4.15Å; K777-W814 HydrophobicContact CG-CE3 4.46Å; K777-W814 HydrophobicContact CG-CZ3 4.48Å | ||
| 778 | I | 97.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 104.1 | 176.5 | -59.1 | 165.2 | 0 | 0 | 0 | 108.1 | L714 V717 V737 L739 W814 I815 | L714-I778 HydrophobicContact CB-CD1 4.42Å; L714-I778 HydrophobicContact CD2-CD1 3.5Å; L714-I778 HydrophobicContact CG-CD1 3.71Å; V717-I778 HydrophobicContact CG2-CD1 4.26Å; V717-I778 HydrophobicContact CG2-CG1 3.98Å; V737-I778 HydrophobicContact CB-CB 4.44Å; V737-I778 HydrophobicContact CB-CG1 4.11Å; V737-I778 HydrophobicContact CG1-CB 4.46Å; V737-I778 HydrophobicContact CG1-CG1 4.26Å; V737-I778 HydrophobicContact CG1-CG2 4.01Å; V737-I778 HydrophobicContact CG2-CG1 4.48Å; L739-I778 HydrophobicContact CD1-CG2 3.5Å; L739-I778 HydrophobicContact CG-CG2 3.84Å; I778-W814 WeakPolarHBondContact O-CA 3.3Å; I778-I815 HydrophobicContact CB-CB 4.12Å; I778-I815 HydrophobicContact CG2-CB 4.03Å; I778-I815 HydrophobicContact CG2-CD1 3.95Å; I778-I815 HydrophobicContact CG2-CG1 4.06Å; I778-I815 PolarHBondContact O-N 2.73Å |
| 779 | H | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 126 | 178.9 | -167.4 | -155.3 | 0 | 0 | 0 | 109.9 | V737 G738 L739 M769 T772 R799 I802 T812 W813 W814 | V737-H779 WeakPolarHBondContact O-CB 3.38Å; V737-H779 PolarHBondContact O-N 3.05Å; G738-H779 CarbonylContact C-O 3.13Å; G738-H779 WeakPolarHBondContact CA-O 3.35Å; L739-H779 PolarHBondContact N-O 3.45Å; M769-H779 PolarHBondContact O-ND1 3.39Å; T772-H779 PolarHBondContact OG1-CE1 3.14Å; T772-H779 PolarHBondContact OG1-ND1 3.16Å; H779-R799 PolarHBondContact CE1-NH1 3.17Å; H779-R799 PolarHBondContact ND1-NH1 3.3Å; H779-R799 WeakPolarHBondContact NE2-CD 3.41Å; H779-R799 PolarHBondContact NE2-NH1 2.66Å; H779-R799 VanDerWaalsContact NE2-NH1 3.19Å; H779-I802 VanDerWaalsContact CE1-CD1 3.46Å; H779-I802 WeakPolarHBondContact CE1-CD1 3.5Å; H779-T812 WeakPolarHBondContact NE2-CB 3.31Å; H779-T812 PolarHBondContact NE2-OG1 3.49Å; H779-W813 PolarHBondContact CD2-O 2.77Å; H779-W814 HydrophobicContact CB-CE3 3.93Å; H779-W814 HydrophobicContact CB-CH2 4.22Å; H779-W814 HydrophobicContact CB-CZ3 3.47Å; H779-W814 VanDerWaalsContact CB-CZ3 3.47Å; H779-W814 AromaticContact CG-CZ3 3.9Å |
| 780 | C | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 149.2 | 176.2 | 74.2 | 0 | 0 | 0 | 0 | 112.8 | L739 T784 T812 W813 I815 | L739-C780 HydrophobicContact CB-CB 3.87Å; L739-C780 HydrophobicContact CD1-CB 4.47Å; L739-C780 WeakPolarHBondContact O-CA 3.32Å; C780-T784 HydrophobicContact CB-CG2 4.16Å; C780-T812 WeakPolarHBondContact O-CB 3.27Å; C780-W813 PolarHBondContact N-O 3.26Å; C780-W813 PolarHBondContact O-N 3.38Å; C780-I815 HydrophobicContact CB-CD1 4.24Å; C780-I815 HydrophobicContact CB-CG1 4.32Å |
| 781 | S | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 161.4 | 172.5 | 68 | 0 | 0 | 0 | 0 | 112.7 | L739 H740 T783 T784 H785 | L739-S781 PolarHBondContact O-N 2.74Å; H740-S781 WeakPolarHBondContact ND1-CB 3.34Å; H740-S781 PolarHBondContact ND1-OG 3.43Å; S781-T783 PolarHBondContact O-N 3.03Å; S781-T783 PolarHBondContact OG-OG1 2.8Å; S781-T783 VanDerWaalsContact OG-OG1 3.09Å; S781-T784 PolarHBondContact O-N 3.28Å; S781-T784 PolarHBondContact OG-N 3.15Å; S781-T784 PolarHBondContact OG-OG1 2.58Å; S781-H785 PolarHBondContact O-N 2.86Å |
| 782 | E | 96.5 | Very high | 95.2 | Very high | 65 Ų | 65 | 42.3 Ų | 42.3 | 30% | 0.304 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -55 | -36.3 | 173.7 | -166 | 65.5 | -133.3 | 0 | 0 | 113.1 | H785 A786 Q811 W813 | E782-H785 PolarHBondContact O-N 3.47Å; E782-H785 IonicContact OE1-ND1 3.64Å; E782-A786 WeakPolarHBondContact O-CB 3.28Å; E782-A786 PolarHBondContact O-N 3.31Å; E782-Q811 WeakPolarHBondContact OE2-CB 3.34Å; E782-Q811 VanDerWaalsContact OE2-CG 3.28Å; E782-Q811 WeakPolarHBondContact OE2-CG 3.27Å; E782-Q811 PolarHBondContact OE2-NE2 3.45Å; E782-Q811 VanDerWaalsContact OE2-NE2 3.11Å; E782-W813 PolarHBondContact OE1-NE1 3.21Å; E782-W813 PolarHBondContact OE2-NE1 3.05Å |
| 783 | T | 96.6 | Very high | 95 | Very high | 66 Ų | 66 | 41.1 Ų | 41.1 | 41% | 0.405 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.5 | -41.8 | -179.9 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | H740 S741 S781 I787 | H740-T783 PolarHBondContact CE1-OG1 3.01Å; H740-T783 PolarHBondContact ND1-OG1 3.41Å; S741-T783 WeakPolarHBondContact O-CB 3.45Å; S741-T783 PolarHBondContact O-OG1 3.48Å; S781-T783 PolarHBondContact O-N 3.03Å; S781-T783 PolarHBondContact OG-OG1 2.8Å; S781-T783 VanDerWaalsContact OG-OG1 3.09Å; T783-I787 WeakPolarHBondContact O-CG1 3.39Å; T783-I787 PolarHBondContact O-N 3.38Å |
| 784 | T | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 174.1 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | T640 L739 H740 S741 C780 S781 A786 I787 L788 | T640-T784 HydrophobicContact CG2-CG2 4.33Å; L739-T784 HydrophobicContact CB-CG2 4.27Å; H740-T784 VanDerWaalsContact C-OG1 3.22Å; H740-T784 WeakPolarHBondContact CA-OG1 3.19Å; S741-T784 PolarHBondContact N-OG1 3.45Å; S741-T784 WeakPolarHBondContact OG-CA 3.17Å; S741-T784 WeakPolarHBondContact OG-CB 3.39Å; S741-T784 PolarHBondContact OG-OG1 3.31Å; C780-T784 HydrophobicContact CB-CG2 4.16Å; S781-T784 PolarHBondContact O-N 3.28Å; S781-T784 PolarHBondContact OG-N 3.15Å; S781-T784 PolarHBondContact OG-OG1 2.58Å; T784-A786 PolarHBondContact O-N 3.28Å; T784-I787 PolarHBondContact O-N 3.21Å; T784-L788 HydrophobicContact CG2-CD1 3.93Å; T784-L788 HydrophobicContact CG2-CG 4.39Å; T784-L788 WeakPolarHBondContact O-CG 3.28Å; T784-L788 PolarHBondContact O-N 3.29Å |
| 785 | H | 97.3 | Very high | 95 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 7% | 0.065 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.7 | -49.6 | 175.4 | 172.4 | -99.7 | 0 | 0 | 0 | 111.2 | S781 E782 I787 L788 D789 F796 W813 | S781-H785 PolarHBondContact O-N 2.86Å; E782-H785 PolarHBondContact O-N 3.47Å; E782-H785 IonicContact OE1-ND1 3.64Å; H785-I787 VanDerWaalsContact C-N 3.28Å; H785-I787 PolarHBondContact O-N 3.08Å; H785-L788 PolarHBondContact O-N 3.17Å; H785-L788 VanDerWaalsContact O-N 3.11Å; H785-D789 VanDerWaalsContact O-CB 3.27Å; H785-D789 WeakPolarHBondContact O-CB 3.47Å; H785-D789 PolarHBondContact O-N 2.9Å; H785-F796 AromaticContact CD2-CD1 3.68Å; H785-F796 AromaticContact CD2-CD2 3.84Å; H785-F796 AromaticContact CD2-CE1 3.96Å; H785-F796 AromaticContact CD2-CG 3.61Å; H785-F796 AromaticContact NE2-CD2 3.79Å; H785-F796 AromaticContact NE2-CG 3.87Å; H785-W813 HydrophobicContact CB-CB 4.41Å; H785-W813 HydrophobicContact CB-CG 3.99Å; H785-W813 AromaticContact CD2-CD2 3.59Å; H785-W813 AromaticContact CD2-CE2 3.93Å; H785-W813 AromaticContact CD2-CE3 3.95Å; H785-W813 AromaticContact CD2-CG 3.68Å; H785-W813 AromaticContact CE1-CD2 3.94Å; H785-W813 AromaticContact CE1-CE2 3.55Å; H785-W813 AromaticContact CE1-CH2 3.84Å; H785-W813 AromaticContact CE1-CZ2 3.51Å; H785-W813 AromaticContact CE1-NE1 4Å; H785-W813 AromaticContact CG-CD1 3.55Å; H785-W813 AromaticContact CG-CD2 3.84Å; H785-W813 AromaticContact CG-CE2 3.8Å; H785-W813 AromaticContact CG-CG 3.7Å; H785-W813 AromaticContact CG-NE1 3.62Å; H785-W813 AromaticContact ND1-CD1 3.93Å; H785-W813 AromaticContact ND1-CE2 3.54Å; H785-W813 AromaticContact ND1-CZ2 3.87Å; H785-W813 AromaticContact ND1-NE1 3.5Å; H785-W813 PolarHBondContact ND1-NE1 3.11Å; H785-W813 AromaticContact NE2-CD2 3.66Å; H785-W813 AromaticContact NE2-CE2 3.77Å; H785-W813 AromaticContact NE2-CE3 3.7Å; H785-W813 AromaticContact NE2-CH2 3.95Å; H785-W813 AromaticContact NE2-CZ2 3.93Å; H785-W813 AromaticContact NE2-CZ3 3.84Å |
| 786 | A | 96.7 | Very high | 95.1 | Very high | 50 Ų | 50 | 40 Ų | 40 | 41% | 0.413 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.6 | -37.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E782 T784 R790 | E782-A786 WeakPolarHBondContact O-CB 3.28Å; E782-A786 PolarHBondContact O-N 3.31Å; T784-A786 PolarHBondContact O-N 3.28Å; A786-R790 WeakPolarHBondContact O-CB 3.44Å; A786-R790 PolarHBondContact O-N 2.95Å |
| 787 | I | 95.7 | Very high | 95.1 | Very high | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.5 | -48.2 | 175.6 | -64.1 | 170 | 0 | 0 | 0 | 110.4 | E703 A706 T783 T784 H785 R790 L791 | E703-I787 HydrophobicContact CB-CG2 3.91Å; A706-I787 HydrophobicContact CB-CB 4.1Å; A706-I787 HydrophobicContact CB-CG2 3.54Å; T783-I787 WeakPolarHBondContact O-CG1 3.39Å; T783-I787 PolarHBondContact O-N 3.38Å; T784-I787 PolarHBondContact O-N 3.21Å; H785-I787 VanDerWaalsContact C-N 3.28Å; H785-I787 PolarHBondContact O-N 3.08Å; I787-R790 PolarHBondContact O-N 3.44Å; I787-L791 HydrophobicContact CG2-CD1 3.76Å; I787-L791 VanDerWaalsContact O-CG 3.27Å; I787-L791 WeakPolarHBondContact O-CG 3.47Å; I787-L791 PolarHBondContact O-N 3.42Å; I787-L791 VanDerWaalsContact O-N 3.09Å |
| 788 | L | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.8 | -36.7 | -176.9 | -65.5 | 173.9 | 0 | 0 | 0 | 112.8 | A706 I707 A710 T784 H785 L791 G792 F794 F796 I815 | A706-L788 HydrophobicContact CB-CD2 3.7Å; A706-L788 HydrophobicContact CB-CG 4.07Å; I707-L788 HydrophobicContact CG1-CD2 4.27Å; A710-L788 HydrophobicContact CB-CD1 3.87Å; A710-L788 HydrophobicContact CB-CD2 4.02Å; T784-L788 HydrophobicContact CG2-CD1 3.93Å; T784-L788 HydrophobicContact CG2-CG 4.39Å; T784-L788 WeakPolarHBondContact O-CG 3.28Å; T784-L788 PolarHBondContact O-N 3.29Å; H785-L788 PolarHBondContact O-N 3.17Å; H785-L788 VanDerWaalsContact O-N 3.11Å; L788-L791 PolarHBondContact O-N 3.27Å; L788-G792 WeakPolarHBondContact O-CA 3.48Å; L788-G792 PolarHBondContact O-N 2.92Å; L788-F794 HydrophobicContact CB-CD2 4.33Å; L788-F794 HydrophobicContact CD2-CD2 3.94Å; L788-F794 HydrophobicContact CD2-CE2 3.71Å; L788-F794 HydrophobicContact CD2-CZ 4.37Å; L788-F796 HydrophobicContact CB-CE1 4.22Å; L788-F796 HydrophobicContact CB-CZ 3.6Å; L788-F796 HydrophobicContact CD1-CE1 4.07Å; L788-F796 HydrophobicContact CD1-CZ 4.25Å; L788-I815 HydrophobicContact CD1-CD1 3.66Å |
| 789 | D | 93.6 | Very high | 94.8 | Very high | 103 Ų | 103 | 47 Ų | 47 | 55% | 0.551 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.5 | -43.2 | 176.5 | -171.6 | 50.6 | 0 | 0 | 0 | 110.6 | H785 L791 G792 | H785-D789 VanDerWaalsContact O-CB 3.27Å; H785-D789 WeakPolarHBondContact O-CB 3.47Å; H785-D789 PolarHBondContact O-N 2.9Å; D789-L791 PolarHBondContact O-N 2.97Å; D789-G792 PolarHBondContact O-N 3.4Å |
| 790 | R | 91 | Very high | 94.4 | Very high | 154 Ų | 154 | 48 Ų | 48 | 58% | 0.581 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -62.8 | -39.7 | 174.6 | 179.6 | 173 | 57.8 | -156.8 | -18.5 | 113.1 | E703 A786 I787 | E703-R790 VanDerWaalsContact CD-CZ 3.47Å; E703-R790 IonicContact OE1-CZ 3.12Å; E703-R790 IonicContact OE1-NE 3.52Å; E703-R790 IonicContact OE1-NH1 2.58Å; E703-R790 IonicContact OE1-NH2 3.56Å; E703-R790 PolarHBondContact OE1-NH2 2.55Å; E703-R790 IonicContact OE2-CZ 3.1Å; E703-R790 IonicContact OE2-NE 2.65Å; E703-R790 PolarHBondContact OE2-NE 3.22Å; E703-R790 IonicContact OE2-NH2 2.69Å; E703-R790 PolarHBondContact OE2-NH2 2.96Å; A786-R790 WeakPolarHBondContact O-CB 3.44Å; A786-R790 PolarHBondContact O-N 2.95Å; I787-R790 PolarHBondContact O-N 3.44Å |
| 791 | L | 89.6 | Confident | 94.1 | Very high | 74 Ų | 74 | 52.4 Ų | 52.4 | 39% | 0.387 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -81.9 | -22.6 | -179.2 | -64.9 | 171.4 | 0 | 0 | 0 | 113 | E703 I707 I787 L788 D789 | E703-L791 HydrophobicContact CB-CD1 3.82Å; E703-L791 WeakPolarHBondContact O-CD1 3.27Å; I707-L791 HydrophobicContact CD1-CB 3.99Å; I707-L791 HydrophobicContact CD1-CD1 3.65Å; I707-L791 HydrophobicContact CD1-CG 4.33Å; I707-L791 HydrophobicContact CG1-CB 4.43Å; I707-L791 HydrophobicContact CG1-CD1 3.71Å; I787-L791 HydrophobicContact CG2-CD1 3.76Å; I787-L791 VanDerWaalsContact O-CG 3.27Å; I787-L791 WeakPolarHBondContact O-CG 3.47Å; I787-L791 PolarHBondContact O-N 3.42Å; I787-L791 VanDerWaalsContact O-N 3.09Å; L788-L791 PolarHBondContact O-N 3.27Å; D789-L791 PolarHBondContact O-N 2.97Å |
| 792 | G | 88.7 | Confident | 93.9 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | trans | 72.5 | -179 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | L788 D789 | L788-G792 WeakPolarHBondContact O-CA 3.48Å; L788-G792 PolarHBondContact O-N 2.92Å; D789-G792 PolarHBondContact O-N 3.4Å | ||
| 793 | G | 89.2 | Confident | 93.7 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | trans | 98.6 | -0.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | R818 T819 | G793-R818 CarbonylContact O-C 3.55Å; G793-R818 VanDerWaalsContact O-CA 3.31Å; G793-R818 WeakPolarHBondContact O-CA 3.41Å; G793-T819 WeakPolarHBondContact CA-OG1 3.32Å; G793-T819 PolarHBondContact O-N 2.9Å; G793-T819 PolarHBondContact O-OG1 2.73Å | ||
| 794 | F | 93.7 | Very high | 93.3 | Very high | 14 Ų | 14 | 52.9 Ų | 52.9 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 155.4 | -176.6 | -62.8 | -85.9 | 0 | 0 | 0 | 111.8 | I707 A710 D711 L714 L788 F796 I815 G817 R818 T819 | I707-F794 HydrophobicContact CG1-CE2 4.46Å; I707-F794 HydrophobicContact CG2-CE2 4.45Å; I707-F794 HydrophobicContact CG2-CZ 4.45Å; A710-F794 HydrophobicContact CB-CD1 4.17Å; A710-F794 HydrophobicContact CB-CE1 3.5Å; A710-F794 VanDerWaalsContact CB-CE1 3.5Å; A710-F794 HydrophobicContact CB-CE2 4.27Å; A710-F794 HydrophobicContact CB-CZ 3.54Å; D711-F794 WeakPolarHBondContact OD1-CE1 3.37Å; D711-F794 WeakPolarHBondContact OD1-CZ 3.25Å; L714-F794 HydrophobicContact CD1-CD1 4.26Å; L714-F794 HydrophobicContact CD1-CE1 4.17Å; L788-F794 HydrophobicContact CB-CD2 4.33Å; L788-F794 HydrophobicContact CD2-CD2 3.94Å; L788-F794 HydrophobicContact CD2-CE2 3.71Å; L788-F794 HydrophobicContact CD2-CZ 4.37Å; F794-F796 HydrophobicContact CB-CE1 4.11Å; F794-F796 HydrophobicContact CB-CE2 3.96Å; F794-F796 HydrophobicContact CB-CZ 3.54Å; F794-F796 HydrophobicContact CG-CZ 4.47Å; F794-I815 HydrophobicContact CD1-CG2 4.08Å; F794-G817 WeakPolarHBondContact CA-O 3.5Å; F794-R818 HydrophobicContact CD1-CG 4.47Å; F794-R818 HydrophobicContact CE1-CG 4.3Å; F794-T819 PolarHBondContact N-OG1 3.26Å |
| 795 | T | 95.3 | Very high | 92.8 | Very high | 54 Ų | 54 | 60.7 Ų | 60.7 | 33% | 0.331 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 144.6 | 169.3 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | T816 G817 T819 | T795-T816 VanDerWaalsContact C-OG1 3.25Å; T795-T816 VanDerWaalsContact CB-OG1 3.3Å; T795-T816 WeakPolarHBondContact CB-OG1 3.34Å; T795-T816 PolarHBondContact O-N 3.02Å; T795-T816 PolarHBondContact O-OG1 2.85Å; T795-T816 VanDerWaalsContact O-OG1 3.1Å; T795-T816 PolarHBondContact OG1-OG1 2.77Å; T795-G817 PolarHBondContact N-O 2.99Å; T795-G817 PolarHBondContact OG1-N 3.1Å; T795-G817 VanDerWaalsContact OG1-N 3.08Å; T795-G817 PolarHBondContact OG1-O 2.54Å; T795-T819 HydrophobicContact CG2-CG2 3.38Å |
| 796 | F | 96.5 | Very high | 92.2 | Very high | 46 Ų | 46 | 64 Ų | 64 | 20% | 0.202 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 148.7 | -176.8 | -51.8 | -81.6 | 0 | 0 | 0 | 112.3 | H785 L788 F794 W813 W814 I815 | H785-F796 AromaticContact CD2-CD1 3.68Å; H785-F796 AromaticContact CD2-CD2 3.84Å; H785-F796 AromaticContact CD2-CE1 3.96Å; H785-F796 AromaticContact CD2-CG 3.61Å; H785-F796 AromaticContact NE2-CD2 3.79Å; H785-F796 AromaticContact NE2-CG 3.87Å; L788-F796 HydrophobicContact CB-CE1 4.22Å; L788-F796 HydrophobicContact CB-CZ 3.6Å; L788-F796 HydrophobicContact CD1-CE1 4.07Å; L788-F796 HydrophobicContact CD1-CZ 4.25Å; F794-F796 HydrophobicContact CB-CE1 4.11Å; F794-F796 HydrophobicContact CB-CE2 3.96Å; F794-F796 HydrophobicContact CB-CZ 3.54Å; F794-F796 HydrophobicContact CG-CZ 4.47Å; F796-W813 HydrophobicContact CB-CE3 3.89Å; F796-W813 HydrophobicContact CB-CZ3 4.45Å; F796-W814 CarbonylContact C-O 3.59Å; F796-W814 WeakPolarHBondContact CA-O 3.31Å; F796-I815 HydrophobicContact CD1-CG1 4.06Å; F796-I815 HydrophobicContact CE1-CD1 4.34Å; F796-I815 HydrophobicContact CE1-CG1 3.93Å |
| 797 | E | 96.7 | Very high | 91.8 | Very high | 104 Ų | 104 | 65.1 Ų | 65.1 | 49% | 0.486 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.5 | 166.7 | -176.9 | -169.9 | 161.1 | 0 | 0 | 109 | R799 W813 W814 T816 | E797-R799 PolarHBondContact O-N 2.71Å; E797-W813 WeakPolarHBondContact O-CA 3.42Å; E797-W814 HydrophobicContact CB-CB 4.19Å; E797-W814 PolarHBondContact N-O 3.47Å; E797-W814 PolarHBondContact O-N 3.09Å; E797-T816 HydrophobicContact CB-CG2 3.95Å |
| 798 | K | 95.2 | Very high | 91.5 | Very high | 113 Ų | 113 | 66.2 Ų | 66.2 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 115.6 | 178.4 | -173.7 | 169.5 | -178 | 164.9 | 0 | 109.4 | G800 Q811 W813 | K798-G800 VanDerWaalsContact C-N 3.34Å; K798-Q811 VanDerWaalsContact NZ-CD 3.31Å; K798-W813 HydrophobicContact CB-CE3 3.91Å; K798-W813 HydrophobicContact CB-CH2 4.18Å; K798-W813 HydrophobicContact CB-CZ3 3.72Å; K798-W813 HydrophobicContact CD-CH2 4.25Å; K798-W813 HydrophobicContact CD-CZ2 4.44Å; K798-W813 HydrophobicContact CG-CE3 4.44Å; K798-W813 HydrophobicContact CG-CH2 4.33Å; K798-W813 HydrophobicContact CG-CZ2 4.49Å; K798-W813 HydrophobicContact CG-CZ3 4.3Å |
| 799 | R | 92.6 | Very high | 91.4 | Very high | 69 Ų | 69 | 71.7 Ų | 71.7 | 26% | 0.26 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -30.2 | 174.8 | -173.5 | 178.9 | -177.9 | 173.1 | 1.9 | 112.1 | T772 H779 E797 T812 W814 | T772-R799 PolarHBondContact O-NH1 2.77Å; T772-R799 PolarHBondContact O-NH2 3.43Å; H779-R799 PolarHBondContact CE1-NH1 3.17Å; H779-R799 PolarHBondContact ND1-NH1 3.3Å; H779-R799 WeakPolarHBondContact NE2-CD 3.41Å; H779-R799 PolarHBondContact NE2-NH1 2.66Å; H779-R799 VanDerWaalsContact NE2-NH1 3.19Å; E797-R799 PolarHBondContact O-N 2.71Å; R799-T812 WeakPolarHBondContact CB-O 3.36Å; R799-T812 PolarHBondContact N-O 3.12Å; R799-T812 VanDerWaalsContact N-O 3.12Å; R799-W814 VanDerWaalsContact CD-CZ2 3.47Å; R799-W814 HydrophobicContact CG-CZ2 4.09Å |
| 800 | G | 89.9 | Confident | 91.3 | Very high | 20 Ų | 20 | 68.5 Ų | 68.5 | 21% | 0.206 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.5 | -166.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K798 T812 | K798-G800 VanDerWaalsContact C-N 3.34Å; G800-T812 PolarHBondContact O-N 3.5Å; G800-T812 VanDerWaalsContact O-N 3.15Å |
| 801 | T | 91.9 | Very high | 91.5 | Very high | 92 Ų | 92 | 64 Ų | 64 | 56% | 0.564 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 123.9 | -179.8 | -55 | 0 | 0 | 0 | 0 | 109.7 | D809 M810 | T801-D809 HydrophobicContact CG2-CB 3.58Å; T801-M810 CarbonylContact C-O 3.56Å; T801-M810 WeakPolarHBondContact CA-O 3.2Å |
| 802 | I | 92.7 | Very high | 91.8 | Very high | 29 Ų | 29 | 60.5 Ų | 60.5 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 142.3 | 176.5 | 59.3 | 158.1 | 0 | 0 | 0 | 110.2 | T772 H779 V804 D809 M810 T812 | T772-I802 HydrophobicContact CG2-CD1 4.45Å; H779-I802 VanDerWaalsContact CE1-CD1 3.46Å; H779-I802 WeakPolarHBondContact CE1-CD1 3.5Å; I802-V804 HydrophobicContact CD1-CG2 3.64Å; I802-V804 HydrophobicContact CG1-CG2 3.89Å; I802-V804 PolarHBondContact O-N 2.94Å; I802-D809 WeakPolarHBondContact O-CA 3.41Å; I802-M810 PolarHBondContact N-O 3.12Å; I802-M810 PolarHBondContact O-N 3.21Å; I802-T812 HydrophobicContact CD1-CG2 3.95Å; I802-T812 HydrophobicContact CG1-CG2 3.88Å |
| 803 | T | 91.9 | Very high | 92.2 | Very high | 111 Ų | 111 | 61 Ų | 61 | 68% | 0.681 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 113.4 | 174.4 | -49.9 | 0 | 0 | 0 | 0 | 109.7 | D809 | T803-D809 WeakPolarHBondContact CA-OD1 3.35Å; T803-D809 WeakPolarHBondContact CB-OD1 3.5Å; T803-D809 PolarHBondContact OG1-OD1 2.85Å |
| 804 | V | 88.6 | Confident | 92.6 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.8 | -178.5 | 175.4 | 0 | 0 | 0 | 0 | 109.8 | R768 M769 I802 G806 K807 G808 M810 | R768-V804 HydrophobicContact CB-CG1 3.56Å; R768-V804 HydrophobicContact CG-CG1 3.75Å; M769-V804 HydrophobicContact CE-CG1 4.49Å; M769-V804 HydrophobicContact CE-CG2 3.85Å; I802-V804 HydrophobicContact CD1-CG2 3.64Å; I802-V804 HydrophobicContact CG1-CG2 3.89Å; I802-V804 PolarHBondContact O-N 2.94Å; V804-G806 PolarHBondContact O-N 2.83Å; V804-G806 VanDerWaalsContact O-N 3.1Å; V804-K807 HydrophobicContact CB-CB 3.97Å; V804-K807 HydrophobicContact CB-CG 4.45Å; V804-K807 HydrophobicContact CG1-CB 4Å; V804-K807 HydrophobicContact CG1-CG 3.94Å; V804-K807 PolarHBondContact O-N 2.95Å; V804-G808 PolarHBondContact N-O 2.98Å; V804-G808 PolarHBondContact O-N 2.92Å; V804-M810 HydrophobicContact CB-CG 4.5Å; V804-M810 HydrophobicContact CB-SD 4.02Å; V804-M810 HydrophobicContact CG1-SD 4.31Å; V804-M810 HydrophobicContact CG2-CB 4.39Å; V804-M810 HydrophobicContact CG2-CG 4.42Å; V804-M810 HydrophobicContact CG2-SD 4.05Å |
| 805 | K | 86.5 | Confident | 92.8 | Very high | 164 Ų | 164 | 60.4 Ų | 60.4 | 71% | 0.713 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 118.1 | -178 | -177.1 | 177.6 | 179.8 | 178.6 | 0 | 111.2 | R768 K807 | R768-K805 PolarHBondContact NE-O 3.05Å; K805-K807 VanDerWaalsContact C-N 3.31Å |
| 806 | G | 85.7 | Confident | 92.8 | Very high | 83 Ų | 83 | 61.5 Ų | 61.5 | 86% | 0.856 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | -4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | V804 | V804-G806 PolarHBondContact O-N 2.83Å; V804-G806 VanDerWaalsContact O-N 3.1Å |
| 807 | K | 87.2 | Confident | 92.6 | Very high | 75 Ų | 75 | 60.1 Ų | 60.1 | 33% | 0.326 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -22.3 | 177.8 | -65.2 | -56.1 | -157.2 | 174.6 | 0 | 114 | D761 T765 V804 K805 M810 | D761-K807 WeakPolarHBondContact OD1-CE 3.49Å; D761-K807 IonicContact OD1-NZ 3.09Å; D761-K807 PolarHBondContact OD1-NZ 3.28Å; D761-K807 IonicContact OD2-NZ 2.79Å; D761-K807 PolarHBondContact OD2-NZ 2.58Å; T765-K807 WeakPolarHBondContact OG1-CE 3.46Å; T765-K807 PolarHBondContact OG1-NZ 2.88Å; V804-K807 HydrophobicContact CB-CB 3.97Å; V804-K807 HydrophobicContact CB-CG 4.45Å; V804-K807 HydrophobicContact CG1-CB 4Å; V804-K807 HydrophobicContact CG1-CG 3.94Å; V804-K807 PolarHBondContact O-N 2.95Å; K805-K807 VanDerWaalsContact C-N 3.31Å; K807-M810 HydrophobicContact CB-CG 4.07Å; K807-M810 HydrophobicContact CB-SD 3.48Å; K807-M810 WeakPolarHBondContact CB-SD 3.27Å; K807-M810 HydrophobicContact CG-SD 3.76Å |
| 808 | G | 89.4 | Confident | 92.3 | Very high | 35 Ų | 35 | 57.9 Ų | 57.9 | 36% | 0.361 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.5 | -152.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V804 | V804-G808 PolarHBondContact N-O 2.98Å; V804-G808 PolarHBondContact O-N 2.92Å |
| 809 | D | 92.7 | Very high | 91.8 | Very high | 115 Ų | 115 | 56.9 Ų | 56.9 | 62% | 0.615 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 121.1 | -176 | -73.3 | -13.1 | 0 | 0 | 0 | 110.9 | T801 I802 T803 | T801-D809 HydrophobicContact CG2-CB 3.58Å; I802-D809 WeakPolarHBondContact O-CA 3.41Å; T803-D809 WeakPolarHBondContact CA-OD1 3.35Å; T803-D809 WeakPolarHBondContact CB-OD1 3.5Å; T803-D809 PolarHBondContact OG1-OD1 2.85Å |
| 810 | M | 92.1 | Very high | 90.9 | Very high | 36 Ų | 36 | 56.4 Ų | 56.4 | 18% | 0.177 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.4 | -179 | -65.7 | -176.3 | 69.3 | 0 | 0 | 110.5 | T765 M769 T801 I802 V804 K807 T812 | T765-M810 HydrophobicContact CG2-CE 4.06Å; M769-M810 HydrophobicContact CE-SD 4.44Å; T801-M810 CarbonylContact C-O 3.56Å; T801-M810 WeakPolarHBondContact CA-O 3.2Å; I802-M810 PolarHBondContact N-O 3.12Å; I802-M810 PolarHBondContact O-N 3.21Å; V804-M810 HydrophobicContact CB-CG 4.5Å; V804-M810 HydrophobicContact CB-SD 4.02Å; V804-M810 HydrophobicContact CG1-SD 4.31Å; V804-M810 HydrophobicContact CG2-CB 4.39Å; V804-M810 HydrophobicContact CG2-CG 4.42Å; V804-M810 HydrophobicContact CG2-SD 4.05Å; K807-M810 HydrophobicContact CB-CG 4.07Å; K807-M810 HydrophobicContact CB-SD 3.48Å; K807-M810 WeakPolarHBondContact CB-SD 3.27Å; K807-M810 HydrophobicContact CG-SD 3.76Å; M810-T812 HydrophobicContact CB-CG2 4.28Å |
| 811 | Q | 94.9 | Very high | 89.5 | Confident | 61 Ų | 61 | 59.8 Ų | 59.8 | 29% | 0.285 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 135.5 | 165.6 | -170.3 | 173.2 | -60.1 | 0 | 0 | 109.5 | E782 K798 | E782-Q811 WeakPolarHBondContact OE2-CB 3.34Å; E782-Q811 VanDerWaalsContact OE2-CG 3.28Å; E782-Q811 WeakPolarHBondContact OE2-CG 3.27Å; E782-Q811 PolarHBondContact OE2-NE2 3.45Å; E782-Q811 VanDerWaalsContact OE2-NE2 3.11Å; K798-Q811 VanDerWaalsContact NZ-CD 3.31Å |
| 812 | T | 96.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 165.3 | -176.4 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | M769 H779 C780 R799 G800 I802 M810 | M769-T812 HydrophobicContact CE-CG2 4.21Å; M769-T812 HydrophobicContact SD-CG2 3.77Å; H779-T812 WeakPolarHBondContact NE2-CB 3.31Å; H779-T812 PolarHBondContact NE2-OG1 3.49Å; C780-T812 WeakPolarHBondContact O-CB 3.27Å; R799-T812 WeakPolarHBondContact CB-O 3.36Å; R799-T812 PolarHBondContact N-O 3.12Å; R799-T812 VanDerWaalsContact N-O 3.12Å; G800-T812 PolarHBondContact O-N 3.5Å; G800-T812 VanDerWaalsContact O-N 3.15Å; I802-T812 HydrophobicContact CD1-CG2 3.95Å; I802-T812 HydrophobicContact CG1-CG2 3.88Å; M810-T812 HydrophobicContact CB-CG2 4.28Å |
| 813 | W | 97.9 | Very high | 85.8 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 16% | 0.159 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 151.3 | -169.9 | -59.8 | 81.6 | 0 | 0 | 0 | 111.3 | H779 C780 E782 H785 F796 E797 K798 | H779-W813 PolarHBondContact CD2-O 2.77Å; C780-W813 PolarHBondContact N-O 3.26Å; C780-W813 PolarHBondContact O-N 3.38Å; E782-W813 PolarHBondContact OE1-NE1 3.21Å; E782-W813 PolarHBondContact OE2-NE1 3.05Å; H785-W813 HydrophobicContact CB-CB 4.41Å; H785-W813 HydrophobicContact CB-CG 3.99Å; H785-W813 AromaticContact CD2-CD2 3.59Å; H785-W813 AromaticContact CD2-CE2 3.93Å; H785-W813 AromaticContact CD2-CE3 3.95Å; H785-W813 AromaticContact CD2-CG 3.68Å; H785-W813 AromaticContact CE1-CD2 3.94Å; H785-W813 AromaticContact CE1-CE2 3.55Å; H785-W813 AromaticContact CE1-CH2 3.84Å; H785-W813 AromaticContact CE1-CZ2 3.51Å; H785-W813 AromaticContact CE1-NE1 4Å; H785-W813 AromaticContact CG-CD1 3.55Å; H785-W813 AromaticContact CG-CD2 3.84Å; H785-W813 AromaticContact CG-CE2 3.8Å; H785-W813 AromaticContact CG-CG 3.7Å; H785-W813 AromaticContact CG-NE1 3.62Å; H785-W813 AromaticContact ND1-CD1 3.93Å; H785-W813 AromaticContact ND1-CE2 3.54Å; H785-W813 AromaticContact ND1-CZ2 3.87Å; H785-W813 AromaticContact ND1-NE1 3.5Å; H785-W813 PolarHBondContact ND1-NE1 3.11Å; H785-W813 AromaticContact NE2-CD2 3.66Å; H785-W813 AromaticContact NE2-CE2 3.77Å; H785-W813 AromaticContact NE2-CE3 3.7Å; H785-W813 AromaticContact NE2-CH2 3.95Å; H785-W813 AromaticContact NE2-CZ2 3.93Å; H785-W813 AromaticContact NE2-CZ3 3.84Å; F796-W813 HydrophobicContact CB-CE3 3.89Å; F796-W813 HydrophobicContact CB-CZ3 4.45Å; E797-W813 WeakPolarHBondContact O-CA 3.42Å; K798-W813 HydrophobicContact CB-CE3 3.91Å; K798-W813 HydrophobicContact CB-CH2 4.18Å; K798-W813 HydrophobicContact CB-CZ3 3.72Å; K798-W813 HydrophobicContact CD-CH2 4.25Å; K798-W813 HydrophobicContact CD-CZ2 4.44Å; K798-W813 HydrophobicContact CG-CE3 4.44Å; K798-W813 HydrophobicContact CG-CH2 4.33Å; K798-W813 HydrophobicContact CG-CZ2 4.49Å; K798-W813 HydrophobicContact CG-CZ3 4.3Å |
| 814 | W | 97.8 | Very high | 83.4 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 4% | 0.038 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 134.8 | 165.4 | -59 | 117.9 | 0 | 0 | 0 | 109.2 | E774 K777 I778 H779 F796 E797 R799 T816 | E774-W814 HydrophobicContact CB-CH2 3.91Å; E774-W814 HydrophobicContact CB-CZ2 4.44Å; E774-W814 HydrophobicContact CG-CH2 3.87Å; E774-W814 HydrophobicContact CG-CZ2 4.06Å; K777-W814 HydrophobicContact CB-CD2 4.41Å; K777-W814 HydrophobicContact CB-CE3 3.6Å; K777-W814 HydrophobicContact CB-CH2 4.25Å; K777-W814 HydrophobicContact CB-CZ3 3.48Å; K777-W814 VanDerWaalsContact CB-CZ3 3.48Å; K777-W814 HydrophobicContact CD-CD2 4.03Å; K777-W814 HydrophobicContact CD-CE3 4.04Å; K777-W814 HydrophobicContact CD-CH2 4.29Å; K777-W814 HydrophobicContact CD-CZ2 4.28Å; K777-W814 HydrophobicContact CD-CZ3 4.15Å; K777-W814 HydrophobicContact CG-CE3 4.46Å; K777-W814 HydrophobicContact CG-CZ3 4.48Å; I778-W814 WeakPolarHBondContact O-CA 3.3Å; H779-W814 HydrophobicContact CB-CE3 3.93Å; H779-W814 HydrophobicContact CB-CH2 4.22Å; H779-W814 HydrophobicContact CB-CZ3 3.47Å; H779-W814 VanDerWaalsContact CB-CZ3 3.47Å; H779-W814 AromaticContact CG-CZ3 3.9Å; F796-W814 CarbonylContact C-O 3.59Å; F796-W814 WeakPolarHBondContact CA-O 3.31Å; E797-W814 HydrophobicContact CB-CB 4.19Å; E797-W814 PolarHBondContact N-O 3.47Å; E797-W814 PolarHBondContact O-N 3.09Å; R799-W814 VanDerWaalsContact CD-CZ2 3.47Å; R799-W814 HydrophobicContact CG-CZ2 4.09Å; W814-T816 HydrophobicContact CB-CG2 4.44Å |
| 815 | I | 97.3 | Very high | 81.4 | Confident | 8 Ų | 8 | 70.1 Ų | 70.1 | 4% | 0.041 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 117.6 | 166.8 | -51.3 | -173.3 | 0 | 0 | 0 | 107.6 | A710 L739 I778 C780 L788 F794 F796 | A710-I815 HydrophobicContact CB-CD1 4.1Å; L739-I815 HydrophobicContact CD1-CD1 3.69Å; I778-I815 HydrophobicContact CB-CB 4.12Å; I778-I815 HydrophobicContact CG2-CB 4.03Å; I778-I815 HydrophobicContact CG2-CD1 3.95Å; I778-I815 HydrophobicContact CG2-CG1 4.06Å; I778-I815 PolarHBondContact O-N 2.73Å; C780-I815 HydrophobicContact CB-CD1 4.24Å; C780-I815 HydrophobicContact CB-CG1 4.32Å; L788-I815 HydrophobicContact CD1-CD1 3.66Å; F794-I815 HydrophobicContact CD1-CG2 4.08Å; F796-I815 HydrophobicContact CD1-CG1 4.06Å; F796-I815 HydrophobicContact CE1-CD1 4.34Å; F796-I815 HydrophobicContact CE1-CG1 3.93Å |
| 816 | T | 94.8 | Very high | 79.1 | Confident | 77 Ų | 77 | 68.4 Ų | 68.4 | 47% | 0.472 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -16 | -171.9 | 50.5 | 0 | 0 | 0 | 0 | 114 | T795 E797 W814 | T795-T816 VanDerWaalsContact C-OG1 3.25Å; T795-T816 VanDerWaalsContact CB-OG1 3.3Å; T795-T816 WeakPolarHBondContact CB-OG1 3.34Å; T795-T816 PolarHBondContact O-N 3.02Å; T795-T816 PolarHBondContact O-OG1 2.85Å; T795-T816 VanDerWaalsContact O-OG1 3.1Å; T795-T816 PolarHBondContact OG1-OG1 2.77Å; E797-T816 HydrophobicContact CB-CG2 3.95Å; W814-T816 HydrophobicContact CB-CG2 4.44Å |
| 817 | G | 92.8 | Very high | 76.4 | Confident | 16 Ų | 16 | 70 Ų | 70 | 17% | 0.165 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.3 | -175.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F794 T795 | F794-G817 WeakPolarHBondContact CA-O 3.5Å; T795-G817 PolarHBondContact N-O 2.99Å; T795-G817 PolarHBondContact OG1-N 3.1Å; T795-G817 VanDerWaalsContact OG1-N 3.08Å; T795-G817 PolarHBondContact OG1-O 2.54Å |
| 818 | R | 89.5 | Confident | 73.9 | Confident | 57 Ų | 57 | 68.6 Ų | 68.6 | 22% | 0.215 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 138.3 | 174.4 | -59.5 | 176.3 | -176.9 | 140.4 | 9.3 | 109.8 | D711 L714 D715 G793 F794 R820 D822 | D711-R818 VanDerWaalsContact C-NH2 3.26Å; D711-R818 PolarHBondContact O-NH2 3.4Å; D711-R818 WeakPolarHBondContact OD1-CD 3.31Å; D711-R818 IonicContact OD1-CZ 3.99Å; D711-R818 IonicContact OD1-NE 3.73Å; D711-R818 PolarHBondContact OD1-NE 3.08Å; L714-R818 HydrophobicContact CD1-CG 3.52Å; D715-R818 IonicContact OD1-CZ 3.1Å; D715-R818 IonicContact OD1-NH1 3.02Å; D715-R818 PolarHBondContact OD1-NH1 2.74Å; D715-R818 VanDerWaalsContact OD1-NH1 3.12Å; D715-R818 IonicContact OD1-NH2 2.73Å; D715-R818 PolarHBondContact OD1-NH2 2.81Å; G793-R818 CarbonylContact O-C 3.55Å; G793-R818 VanDerWaalsContact O-CA 3.31Å; G793-R818 WeakPolarHBondContact O-CA 3.41Å; F794-R818 HydrophobicContact CD1-CG 4.47Å; F794-R818 HydrophobicContact CE1-CG 4.3Å; R818-R820 HydrophobicContact CB-CG 4.49Å; R818-D822 IonicContact CZ-OD1 3.72Å; R818-D822 IonicContact NH1-OD1 2.89Å; R818-D822 PolarHBondContact NH1-OD1 3.47Å |
| 819 | T | 84.2 | Confident | 71.2 | Confident | 93 Ų | 93 | 72.2 Ų | 72.2 | 57% | 0.571 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -92.8 | -20.2 | 169.2 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | G793 F794 T795 | G793-T819 WeakPolarHBondContact CA-OG1 3.32Å; G793-T819 PolarHBondContact O-N 2.9Å; G793-T819 PolarHBondContact O-OG1 2.73Å; F794-T819 PolarHBondContact N-OG1 3.26Å; T795-T819 HydrophobicContact CG2-CG2 3.38Å |
| 820 | R | 74.5 | Confident | 68.4 | Low | 58 Ų | 58 | 71.5 Ų | 71.5 | 22% | 0.219 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -85 | 146.8 | 173.6 | 62.3 | -174.6 | 175 | -163.1 | -3.5 | 110.7 | I707 D711 R818 | I707-R820 VanDerWaalsContact CG2-NH1 3.33Å; D711-R820 IonicContact OD1-CZ 3.76Å; D711-R820 IonicContact OD1-NE 3.88Å; D711-R820 IonicContact OD1-NH2 2.76Å; D711-R820 PolarHBondContact OD1-NH2 3.08Å; D711-R820 IonicContact OD2-CZ 3.94Å; D711-R820 IonicContact OD2-NH2 2.85Å; D711-R820 PolarHBondContact OD2-NH2 3.38Å; R818-R820 HydrophobicContact CB-CG 4.49Å |
| 821 | A | 60.1 | Low | 65.7 | Low | 91 Ų | 91 | 72.9 Ų | 72.9 | 75% | 0.752 | 42% | 0.42 | S | S | * | . | trans | -55.3 | 144.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | L823 | A821-L823 PolarHBondContact O-N 2.95Š| ||
| 822 | D | 56 | Low | 62.9 | Low | 118 Ų | 118 | 78 Ų | 78 | 63% | 0.631 | 45% | 0.449 | S | S | * | . | trans | -44.8 | 119.1 | 179.4 | -69.2 | -39.9 | 0 | 0 | 0 | 109.1 | R818 A824 | R818-D822 IonicContact CZ-OD1 3.72Å; R818-D822 IonicContact NH1-OD1 2.89Å; R818-D822 PolarHBondContact NH1-OD1 3.47Å; D822-A824 PolarHBondContact O-N 2.76Å | ||
| 823 | L | 51.4 | Low | 60.3 | Low | 82 Ų | 82 | 83.7 Ų | 83.7 | 43% | 0.429 | 48% | 0.479 | S | S | . | . | trans | -49.9 | 121.5 | 176.7 | -83 | 163.3 | 0 | 0 | 0 | 106.7 | A821 K825 | A821-L823 PolarHBondContact O-N 2.95Å; L823-K825 PolarHBondContact O-N 2.89Å | ||
| 824 | A | 41.4 | Very low | 57.5 | Low | 81 Ų | 81 | 89 Ų | 89 | 67% | 0.669 | 50% | 0.5 | S | S | * | . | trans | -51.3 | 111.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 106 | D822 D826 | D822-A824 PolarHBondContact O-N 2.76Å; A824-D826 VanDerWaalsContact C-N 3.27Å; A824-D826 VanDerWaalsContact O-CA 3.31Å; A824-D826 WeakPolarHBondContact O-CA 3.16Å; A824-D826 PolarHBondContact O-N 2.86Å | ||
| 825 | K | 46.4 | Very low | 54.8 | Low | 171 Ų | 171 | 96.9 Ų | 96.9 | 74% | 0.743 | 53% | 0.534 | S | S | * | . | trans | -30.8 | 87.3 | -171.9 | -64.3 | 172.3 | -179.2 | 175.8 | 0 | 111.2 | L823 C827 | L823-K825 PolarHBondContact O-N 2.89Å; K825-C827 VanDerWaalsContact C-N 3.3Å; K825-C827 PolarHBondContact O-N 3.02Å | ||
| 826 | D | 38 | Very low | 52.3 | Low | 127 Ų | 127 | 104.6 Ų | 104.6 | 68% | 0.679 | 57% | 0.567 | S | S | * | * | trans | -79.4 | 92.1 | -168.9 | -98.5 | -29.5 | 0 | 0 | 0 | 107.4 | A824 C828 | A824-D826 VanDerWaalsContact C-N 3.27Å; A824-D826 VanDerWaalsContact O-CA 3.31Å; A824-D826 WeakPolarHBondContact O-CA 3.16Å; A824-D826 PolarHBondContact O-N 2.86Å; D826-C828 PolarHBondContact O-N 2.66Å | ||
| 827 | C | 30 | Very low | 49.7 | Very low | 118 Ų | 118 | 110.7 Ų | 110.7 | 80% | 0.797 | 58% | 0.581 | S | S | * | * | trans | 7.3 | 81.2 | 151.7 | -59.9 | 0 | 0 | 0 | 0 | 115.2 | K825 | K825-C827 VanDerWaalsContact C-N 3.3Å; K825-C827 PolarHBondContact O-N 3.02Å | ||
| 828 | C | 34 | Very low | 47.3 | Very low | 45 Ų | 45 | 114.2 Ų | 114.2 | 30% | 0.304 | 60% | 0.596 | S | S | . | * | trans | -69 | 135.9 | 146.7 | -109 | 0 | 0 | 0 | 0 | 108.1 | D826 L830 | D826-C828 PolarHBondContact O-N 2.66Å; C828-L830 PolarHBondContact O-N 3.49Å | ||
| 829 | P | 31.9 | Very low | 45 | Very low | 110 Ų | 110 | 119.7 Ų | 119.7 | 71% | 0.714 | 62% | 0.622 | S | S | * | * | trans | -73.3 | 79.9 | 169.6 | 30.7 | -30.6 | 0 | 0 | 0 | 108.2 | ||||
| 830 | L | 34.4 | Very low | 42.9 | Very low | 101 Ų | 101 | 124.3 Ų | 124.3 | 53% | 0.529 | 63% | 0.634 | S | S | . | * | trans | -66.5 | 143.5 | 163.9 | -75.8 | 174.6 | 0 | 0 | 0 | 108.8 | D677 C828 | D677-L830 WeakPolarHBondContact O-CD1 3.35Å; C828-L830 PolarHBondContact O-N 3.49Å | ||
| 831 | P | 35 | Very low | 41.1 | Very low | 64 Ų | 64 | 126 Ų | 126 | 42% | 0.416 | 66% | 0.655 | S | S | . | * | trans | -53.4 | 141.9 | -175.9 | 18 | -26.6 | 0 | 0 | 0 | 112.1 | N833 | P831-N833 PolarHBondContact O-N 3.39Š| ||
| 832 | L | 37.1 | Very low | 40.1 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 89% | 0.885 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.4 | -2.7 | -176.6 | -99.5 | 95.7 | 0 | 0 | 0 | 117.1 | ||
| 833 | N | 42.3 | Very low | 39.1 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -7.8 | -171 | -71.7 | -17.2 | 0 | 0 | 0 | 115.3 | P831 | P831-N833 PolarHBondContact O-N 3.39Š|
| 834 | W | 38.4 | Very low | 38.2 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 59% | 0.587 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -74 | -31.4 | 177.9 | 158.8 | -102.5 | 0 | 0 | 0 | 114.1 | K836 R837 L838 | W834-K836 PolarHBondContact O-N 3.38Å; W834-R837 PolarHBondContact O-N 2.81Å; W834-L838 HydrophobicContact CD2-CD1 4.43Å; W834-L838 VanDerWaalsContact CE2-CD1 3.42Å; W834-L838 HydrophobicContact CH2-CD1 4.32Å; W834-L838 HydrophobicContact CH2-CD2 4.15Å; W834-L838 HydrophobicContact CH2-CG 4.08Å; W834-L838 HydrophobicContact CZ2-CD1 3.37Å; W834-L838 HydrophobicContact CZ2-CD2 3.92Å; W834-L838 HydrophobicContact CZ2-CG 3.61Å |
| 835 | K | 40.7 | Very low | 38 | Very low | 175 Ų | 175 | 135 Ų | 135 | 76% | 0.761 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -60.9 | -12.9 | 179.5 | -79.6 | -174.9 | 176.9 | 179.2 | 0 | 114.3 | ||
| 836 | K | 46.1 | Very low | 37.4 | Very low | 169 Ų | 169 | 132 Ų | 132 | 74% | 0.735 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -88.7 | -20.1 | 175.2 | -77.9 | -175.5 | 175 | -178.7 | 0 | 114.3 | W834 | W834-K836 PolarHBondContact O-N 3.38Š|
| 837 | R | 39.9 | Very low | 37.5 | Very low | 205 Ų | 205 | 132.6 Ų | 132.6 | 77% | 0.774 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -36.3 | -178.8 | -122.6 | 176.2 | 172.9 | -175.3 | -3.5 | 112.2 | W834 K840 | W834-R837 PolarHBondContact O-N 2.81Å; R837-K840 PolarHBondContact O-N 3.45Å |
| 838 | L | 42 | Very low | 37.8 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 47% | 0.471 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -72 | -25.6 | 175.5 | -74.3 | 169.1 | 0 | 0 | 0 | 114.2 | W834 K840 S841 | W834-L838 HydrophobicContact CD2-CD1 4.43Å; W834-L838 VanDerWaalsContact CE2-CD1 3.42Å; W834-L838 HydrophobicContact CH2-CD1 4.32Å; W834-L838 HydrophobicContact CH2-CD2 4.15Å; W834-L838 HydrophobicContact CH2-CG 4.08Å; W834-L838 HydrophobicContact CZ2-CD1 3.37Å; W834-L838 HydrophobicContact CZ2-CD2 3.92Å; W834-L838 HydrophobicContact CZ2-CG 3.61Å; L838-K840 VanDerWaalsContact C-N 3.33Å; L838-S841 PolarHBondContact O-OG 3.36Å |
| 839 | K | 42.1 | Very low | 37.8 | Very low | 173 Ų | 173 | 142 Ų | 142 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -81 | -9.2 | 176.9 | -81.7 | -170.2 | 173 | -170.1 | 0 | 114.3 | ||
| 840 | K | 39.2 | Very low | 37.8 | Very low | 190 Ų | 190 | 149.7 Ų | 149.7 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -97.1 | -8.5 | -176.8 | -126.1 | -178.1 | -178.6 | -169 | 0 | 113.6 | R837 L838 | R837-K840 PolarHBondContact O-N 3.45Å; L838-K840 VanDerWaalsContact C-N 3.33Å |
| 841 | S | 37.2 | Very low | 37.9 | Very low | 94 Ų | 94 | 152.1 Ų | 152.1 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -99.8 | 1.5 | 177 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | L838 | L838-S841 PolarHBondContact O-OG 3.36Š|
| 842 | E | 38.6 | Very low | 38.1 | Very low | 158 Ų | 158 | 156.7 Ų | 156.7 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -108.6 | 16.4 | -177.4 | -76.2 | -174.6 | 160.3 | 0 | 0 | 114.4 | ||
| 843 | N | 35 | Very low | 38.1 | Very low | 141 Ų | 141 | 156.1 Ų | 156.1 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | -141.6 | 96.6 | 172.3 | -108.9 | -7.9 | 0 | 0 | 0 | 111.4 | N845 | N843-N845 PolarHBondContact O-N 2.87Š| ||
| 844 | P | 32.3 | Very low | 37.9 | Very low | 122 Ų | 122 | 158.2 Ų | 158.2 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | -84.2 | 92.5 | 164.4 | 32.2 | -23.5 | 0 | 0 | 0 | 107.1 | P846 | P844-P846 WeakPolarHBondContact O-CD 3.45Š| ||
| 845 | N | 36.7 | Very low | 37.9 | Very low | 140 Ų | 140 | 158.4 Ų | 158.4 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -104.9 | 105.2 | 168 | -140.1 | 16.3 | 0 | 0 | 0 | 108.2 | N843 N847 | N843-N845 PolarHBondContact O-N 2.87Å; N845-N847 PolarHBondContact O-N 3.02Å | ||
| 846 | P | 34.3 | Very low | 37.7 | Very low | 106 Ų | 106 | 157.3 Ų | 157.3 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | trans | -90.3 | 79.5 | -179 | 34 | -27.7 | 0 | 0 | 0 | 108 | P844 | P844-P846 WeakPolarHBondContact O-CD 3.45Š| ||
| 847 | N | 40.1 | Very low | 37.1 | Very low | 141 Ų | 141 | 156.5 Ų | 156.5 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | -178.5 | 82.5 | 170.1 | -85.5 | -30 | 0 | 0 | 0 | 108.1 | N845 | N845-N847 PolarHBondContact O-N 3.02Š| ||
| 848 | E | 36.3 | Very low | 36.9 | Very low | 194 Ų | 194 | 152.8 Ų | 152.8 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | trans | 177.5 | 78.8 | 159.4 | -102 | 164.5 | -157.3 | 0 | 0 | 109.1 | ||||
| 849 | D | 34.1 | Very low | 36.4 | Very low | 165 Ų | 165 | 158 Ų | 158 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | trans | -137.2 | 96.8 | 158 | -92.9 | -30.1 | 0 | 0 | 0 | 106.5 | ||||
| 850 | H | 31.5 | Very low | 35.9 | Very low | 272 Ų | 272 | 156.6 Ų | 156.6 | 100% | 1.259 | 82% | 0.819 | S | S | * | * | trans | -145.5 | 0 | 162.4 | -98.6 | -44.4 | 0 | 0 | 0 | 109.3 |
Retrieved 850 of 850 residues in 1330.8 ms
(Link to these results)