| 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 | 39.7 | Very low | 51 | Low | 232 Ų | 232 | 168.3 Ų | 168.3 | 100% | 1.143 | 85% | 0.845 | S | S | * | * | 0 | 85.6 | 0 | -69.3 | 69.3 | 179.2 | 0 | 0 | 107.8 | |||||
| 2 | N | 39.6 | Very low | 51.8 | Low | 154 Ų | 154 | 162.3 Ų | 162.3 | 82% | 0.824 | 83% | 0.83 | S | S | * | * | 84.5 | 94.6 | 96.4 | -101.7 | 51.2 | 0 | 0 | 0 | 114.4 | |||||
| 3 | N | 52.3 | Low | 52.2 | Low | 126 Ų | 126 | 155.1 Ų | 155.1 | 67% | 0.674 | 82% | 0.821 | S | S | * | * | 57.6 | 87.7 | 124.7 | -155.7 | -2.9 | 0 | 0 | 0 | 117.5 | |||||
| 4 | Q | 53.9 | Low | 52.6 | Low | 190 Ų | 190 | 154.8 Ų | 154.8 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -106.1 | 94 | 154.4 | -65.7 | -175.1 | 12.1 | 0 | 0 | 107.5 | Q6 | Q4-Q6 PolarHBondContact O-N 3.12Š| ||
| 5 | K | 52.1 | Low | 52.8 | Low | 174 Ų | 174 | 159.7 Ų | 159.7 | 76% | 0.757 | 82% | 0.816 | S | S | * | * | trans | -42.8 | 114.7 | 172.6 | -87.5 | 174.1 | 173.7 | 173.7 | 0 | 109.5 | Q7 | K5-Q7 VanDerWaalsContact C-N 3.32Å; K5-Q7 PolarHBondContact O-N 3.48Å | ||
| 6 | Q | 53 | Low | 53.3 | Low | 188 Ų | 188 | 159.6 Ų | 159.6 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -60.2 | 95.8 | 167.5 | -160.3 | 120.1 | 0.4 | 0 | 0 | 108 | Q4 K8 | Q4-Q6 PolarHBondContact O-N 3.12Å; Q6-K8 PolarHBondContact O-N 3.45Å; Q6-K8 VanDerWaalsContact O-N 3.12Å | ||
| 7 | Q | 57.7 | Low | 53.5 | Low | 178 Ų | 178 | 161.5 Ų | 161.5 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -71.4 | 109.2 | 172.9 | -73.8 | -173.6 | -3.5 | 0 | 0 | 107.1 | K5 | K5-Q7 VanDerWaalsContact C-N 3.32Å; K5-Q7 PolarHBondContact O-N 3.48Å | ||
| 8 | K | 53.4 | Low | 53.9 | Low | 179 Ų | 179 | 159.5 Ų | 159.5 | 78% | 0.778 | 81% | 0.808 | S | S | * | * | trans | -52.3 | 131.2 | 168.7 | -59.9 | 171.3 | -176.3 | -179 | 0 | 106.8 | Q6 T10 | Q6-K8 PolarHBondContact O-N 3.45Å; Q6-K8 VanDerWaalsContact O-N 3.12Å; K8-T10 PolarHBondContact O-N 2.73Å | ||
| 9 | P | 44.4 | Very low | 53.9 | Low | 129 Ų | 129 | 163.6 Ų | 163.6 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -57.1 | 112.2 | 172.4 | 23.2 | -31 | 0 | 0 | 0 | 107.5 | L11 | P9-L11 PolarHBondContact O-N 3.27Š| ||
| 10 | T | 58.8 | Low | 53.8 | Low | 118 Ų | 118 | 165.2 Ų | 165.2 | 72% | 0.724 | 81% | 0.814 | S | S | * | * | trans | -59 | 128.2 | 179.9 | -58.2 | 0 | 0 | 0 | 0 | 108.1 | K8 S12 | K8-T10 PolarHBondContact O-N 2.73Å; T10-S12 WeakPolarHBondContact CG2-OG 3.16Å; T10-S12 PolarHBondContact O-N 3.18Å | ||
| 11 | L | 56.6 | Low | 53.7 | Low | 183 Ų | 183 | 168.7 Ų | 168.7 | 96% | 0.958 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -70.2 | 37.5 | -177.8 | -146.3 | 102.7 | 0 | 0 | 0 | 112.7 | P9 | P9-L11 PolarHBondContact O-N 3.27Š|
| 12 | S | 59.9 | Low | 54.3 | Low | 96 Ų | 96 | 164.6 Ų | 164.6 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | trans | -124 | 71.7 | -177.9 | 63.6 | 0 | 0 | 0 | 0 | 108.9 | T10 | T10-S12 WeakPolarHBondContact CG2-OG 3.16Å; T10-S12 PolarHBondContact O-N 3.18Å | ||
| 13 | G | 56.7 | Low | 55 | Low | 69 Ų | 69 | 164.7 Ų | 164.7 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -167.8 | -21.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R15 | G13-R15 PolarHBondContact O-N 2.72Š| ||
| 14 | Q | 58.9 | Low | 55 | Low | 151 Ų | 151 | 167.8 Ų | 167.8 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | -83.7 | 65.9 | 172 | -159.7 | 152.3 | -27.5 | 0 | 0 | 110.1 | F16 | Q14-F16 HydrophobicContact CG-CD2 4.14Å; Q14-F16 HydrophobicContact CG-CE1 4.47Å; Q14-F16 HydrophobicContact CG-CE2 3.94Å; Q14-F16 HydrophobicContact CG-CZ 4.13Å; Q14-F16 PolarHBondContact O-N 3.02Å | ||
| 15 | R | 55.2 | Low | 55 | Low | 228 Ų | 228 | 163.8 Ų | 163.8 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -65.1 | 91.6 | 156.2 | -171.9 | 176.8 | -179.5 | 178.7 | 1 | 104.9 | G13 K17 | G13-R15 PolarHBondContact O-N 2.72Å; R15-K17 VanDerWaalsContact C-N 3.29Å; R15-K17 PolarHBondContact O-N 2.86Å | ||
| 16 | F | 60.6 | Low | 55.1 | Low | 158 Ų | 158 | 165.4 Ų | 165.4 | 69% | 0.693 | 79% | 0.787 | S | S | * | * | trans | -49.5 | 106.1 | 162.7 | -76.4 | -82.7 | 0 | 0 | 0 | 105.6 | Q14 T18 | Q14-F16 HydrophobicContact CG-CD2 4.14Å; Q14-F16 HydrophobicContact CG-CE1 4.47Å; Q14-F16 HydrophobicContact CG-CE2 3.94Å; Q14-F16 HydrophobicContact CG-CZ 4.13Å; Q14-F16 PolarHBondContact O-N 3.02Å; F16-T18 PolarHBondContact O-N 2.76Å | ||
| 17 | K | 57.5 | Low | 55.1 | Low | 193 Ų | 193 | 161.7 Ų | 161.7 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -62.7 | 96.1 | 161.6 | -70.9 | 179.4 | 177.6 | 176.7 | 0 | 102.7 | R15 R19 | R15-K17 VanDerWaalsContact C-N 3.29Å; R15-K17 PolarHBondContact O-N 2.86Å; K17-R19 PolarHBondContact O-N 3.27Å | ||
| 18 | T | 60.2 | Low | 55.2 | Low | 125 Ų | 125 | 156.7 Ų | 156.7 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | -42.5 | 118.5 | 163.5 | 44 | 0 | 0 | 0 | 0 | 105.1 | F16 K20 | F16-T18 PolarHBondContact O-N 2.76Å; T18-K20 PolarHBondContact O-N 3.44Å; T18-K20 VanDerWaalsContact O-N 3.15Å | ||
| 19 | R | 53.3 | Low | 55.8 | Low | 237 Ų | 237 | 150.1 Ų | 150.1 | 89% | 0.894 | 72% | 0.723 | S | S | * | * | trans | -44 | 130.1 | 179.1 | -72.7 | -173.2 | 174 | -158.6 | -0.3 | 106.7 | K17 R21 | K17-R19 PolarHBondContact O-N 3.27Å; R19-R21 PolarHBondContact O-N 2.78Å | ||
| 20 | K | 52.6 | Low | 57.3 | Low | 195 Ų | 195 | 148.1 Ų | 148.1 | 85% | 0.848 | 71% | 0.708 | S | S | * | * | trans | -40.6 | 117.3 | 169.4 | -121.2 | -176.9 | 177.7 | -171.1 | 0 | 104.9 | T18 D22 | T18-K20 PolarHBondContact O-N 3.44Å; T18-K20 VanDerWaalsContact O-N 3.15Å; K20-D22 PolarHBondContact O-N 3Å | ||
| 21 | R | 51.8 | Low | 58.2 | Low | 240 Ų | 240 | 148.9 Ų | 148.9 | 91% | 0.906 | 70% | 0.703 | S | S | * | * | trans | -39.9 | 100.8 | 171.6 | 179.8 | -175.1 | -111.7 | 158.5 | -6.6 | 105 | R19 E23 | R19-R21 PolarHBondContact O-N 2.78Å; R21-E23 PolarHBondContact O-N 2.61Å; R21-E23 VanDerWaalsContact O-N 3.15Å | ||
| 22 | D | 51.6 | Low | 59.2 | Low | 145 Ų | 145 | 140.4 Ų | 140.4 | 78% | 0.775 | 66% | 0.659 | S | S | * | * | trans | -53.1 | 128.9 | -175.1 | -138.7 | -89.9 | 0 | 0 | 0 | 104.4 | K20 K24 | K20-D22 PolarHBondContact O-N 3Å; D22-K24 PolarHBondContact O-N 3.14Å | ||
| 23 | E | 54.4 | Low | 60.1 | Low | 157 Ų | 157 | 139.1 Ų | 139.1 | 73% | 0.734 | 64% | 0.642 | S | S | * | * | trans | -38.8 | 123.1 | -171.6 | -140.1 | 127 | 137 | 0 | 0 | 106.8 | R21 E25 | R21-E23 PolarHBondContact O-N 2.61Å; R21-E23 VanDerWaalsContact O-N 3.15Å; E23-E25 HydrophobicContact CB-CG 4.49Å; E23-E25 PolarHBondContact O-N 3.43Å | ||
| 24 | K | 51.6 | Low | 61.2 | Low | 191 Ų | 191 | 140.4 Ų | 140.4 | 83% | 0.83 | 63% | 0.633 | S | S | * | * | trans | -65.1 | 79.8 | 164.3 | -176.5 | 165.3 | -178.4 | 174.1 | 0 | 103.3 | D22 R26 | D22-K24 PolarHBondContact O-N 3.14Å; K24-R26 WeakPolarHBondContact O-CA 3.31Å; K24-R26 PolarHBondContact O-N 3.2Å | ||
| 25 | E | 55.8 | Low | 62.2 | Low | 105 Ų | 105 | 136 Ų | 136 | 49% | 0.491 | 62% | 0.618 | S | S | . | * | trans | -47.1 | 111.8 | 175.2 | -76 | -169.7 | 133.5 | 0 | 0 | 102.8 | E23 F27 R65 | E23-E25 HydrophobicContact CB-CG 4.49Å; E23-E25 PolarHBondContact O-N 3.43Å; E25-F27 PolarHBondContact O-N 3.31Å; E25-R65 IonicContact OE2-CZ 3.18Å; E25-R65 VanDerWaalsContact OE2-CZ 3.29Å; E25-R65 IonicContact OE2-NH1 2.77Å; E25-R65 PolarHBondContact OE2-NH1 3.43Å; E25-R65 IonicContact OE2-NH2 3.29Å; E25-R65 PolarHBondContact OE2-NH2 2.99Å | ||
| 26 | R | 54.2 | Low | 63.5 | Low | 208 Ų | 208 | 125.1 Ų | 125.1 | 79% | 0.785 | 58% | 0.577 | S | S | * | * | trans | -55.8 | 112 | -165.8 | -77.4 | -169.9 | 167.7 | 115.6 | -4.7 | 105.8 | K24 D28 | K24-R26 WeakPolarHBondContact O-CA 3.31Å; K24-R26 PolarHBondContact O-N 3.2Å; R26-D28 WeakPolarHBondContact CB-OD2 3.41Å; R26-D28 PolarHBondContact O-N 3.37Å | ||
| 27 | F | 52.5 | Low | 64.5 | Low | 110 Ų | 110 | 121.3 Ų | 121.3 | 48% | 0.482 | 56% | 0.563 | S | S | . | * | trans | -74.4 | 90.7 | 175.7 | -142.5 | -92.3 | 0 | 0 | 0 | 103.3 | E25 P29 R65 Y66 | E25-F27 PolarHBondContact O-N 3.31Å; F27-P29 WeakPolarHBondContact O-CD 3.28Å; F27-R65 HydrophobicContact CE2-CB 4.28Å; F27-R65 HydrophobicContact CE2-CG 4.33Å; F27-Y66 HydrophobicContact CD1-CE1 4.13Å; F27-Y66 HydrophobicContact CE1-CD1 4.39Å; F27-Y66 AromaticContact CE1-CE1 3.93Å; F27-Y66 HydrophobicContact CE1-CE1 3.93Å; F27-Y66 HydrophobicContact CZ-CD1 4.48Å; F27-Y66 HydrophobicContact CZ-CE1 4.15Å | ||
| 28 | D | 58.8 | Low | 65.6 | Low | 73 Ų | 73 | 117.6 Ų | 117.6 | 39% | 0.39 | 55% | 0.548 | S | S | . | . | trans | -104.2 | 71.3 | 177.7 | -74.2 | -47.8 | 0 | 0 | 0 | 107.8 | R26 T30 Q31 F32 Y66 | R26-D28 WeakPolarHBondContact CB-OD2 3.41Å; R26-D28 PolarHBondContact O-N 3.37Å; D28-T30 PolarHBondContact O-N 2.77Å; D28-Q31 HydrophobicContact CB-CB 4.25Å; D28-Q31 PolarHBondContact O-N 3.16Å; D28-F32 PolarHBondContact O-N 2.8Å; D28-Y66 PolarHBondContact N-OH 3.21Å | ||
| 29 | P | 66.9 | Low | 66.7 | Low | 42 Ų | 42 | 111.7 Ų | 111.7 | 27% | 0.273 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -25.7 | -178.4 | 29.2 | -36.6 | 0 | 0 | 0 | 111.6 | F27 Q33 | F27-P29 WeakPolarHBondContact O-CD 3.28Å; P29-Q33 VanDerWaalsContact O-CB 3.3Å; P29-Q33 WeakPolarHBondContact O-CB 3.21Å; P29-Q33 VanDerWaalsContact O-CG 3.24Å; P29-Q33 WeakPolarHBondContact O-CG 3.26Å; P29-Q33 PolarHBondContact O-N 3.33Å |
| 30 | T | 75.4 | Confident | 67.8 | Low | 86 Ų | 86 | 102.3 Ų | 102.3 | 53% | 0.528 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 176.5 | -2.6 | 0 | 0 | 0 | 0 | 111.6 | D28 F32 Q33 D34 | D28-T30 PolarHBondContact O-N 2.77Å; T30-F32 VanDerWaalsContact C-N 3.33Å; T30-F32 PolarHBondContact O-N 3.29Å; T30-Q33 PolarHBondContact O-N 3.29Å; T30-D34 WeakPolarHBondContact O-CB 3.34Å; T30-D34 VanDerWaalsContact O-CG 3.25Å; T30-D34 PolarHBondContact O-N 3.29Å |
| 31 | Q | 77.8 | Confident | 69.1 | Low | 134 Ų | 134 | 98.1 Ų | 98.1 | 63% | 0.626 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.5 | -39 | 179 | -174 | -178.8 | 62.7 | 0 | 0 | 111.3 | D28 C35 | D28-Q31 HydrophobicContact CB-CB 4.25Å; D28-Q31 PolarHBondContact O-N 3.16Å; Q31-C35 WeakPolarHBondContact O-CB 3.44Å; Q31-C35 PolarHBondContact O-N 2.88Å; Q31-C35 PolarHBondContact O-SG 3.17Å |
| 32 | F | 77.5 | Confident | 70.4 | Confident | 6 Ų | 6 | 93.2 Ų | 93.2 | 3% | 0.026 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 172.6 | 176.3 | -96.4 | 0 | 0 | 0 | 111.2 | D28 T30 D34 C35 I36 L61 Y66 L70 I73 | D28-F32 PolarHBondContact O-N 2.8Å; T30-F32 VanDerWaalsContact C-N 3.33Å; T30-F32 PolarHBondContact O-N 3.29Å; F32-D34 PolarHBondContact O-N 2.81Å; F32-C35 PolarHBondContact O-N 3.03Å; F32-I36 HydrophobicContact CD1-CG1 4.27Å; F32-I36 HydrophobicContact CD2-CG1 4.4Å; F32-I36 HydrophobicContact CE1-CG1 3.89Å; F32-I36 HydrophobicContact CE2-CD1 4.23Å; F32-I36 HydrophobicContact CE2-CG1 4.03Å; F32-I36 HydrophobicContact CZ-CD1 4.13Å; F32-I36 HydrophobicContact CZ-CG1 3.77Å; F32-I36 VanDerWaalsContact O-CG1 3.28Å; F32-I36 WeakPolarHBondContact O-CG1 3.43Å; F32-I36 PolarHBondContact O-N 3.4Å; F32-L61 HydrophobicContact CD2-CB 4.08Å; F32-L61 HydrophobicContact CD2-CD1 3.69Å; F32-L61 HydrophobicContact CD2-CD2 3.71Å; F32-L61 HydrophobicContact CD2-CG 4Å; F32-L61 HydrophobicContact CE2-CB 3.79Å; F32-L61 HydrophobicContact CE2-CD1 3.58Å; F32-L61 HydrophobicContact CE2-CD2 4.27Å; F32-L61 HydrophobicContact CE2-CG 4.05Å; F32-Y66 HydrophobicContact CB-CD1 4.29Å; F32-Y66 HydrophobicContact CB-CE1 4.46Å; F32-Y66 HydrophobicContact CB-CG 4.47Å; F32-Y66 HydrophobicContact CD1-CD1 4.24Å; F32-Y66 HydrophobicContact CD1-CG 4.18Å; F32-Y66 HydrophobicContact CD2-CD2 4.12Å; F32-Y66 AromaticContact CD2-CG 3.97Å; F32-Y66 HydrophobicContact CD2-CG 3.97Å; F32-Y66 HydrophobicContact CE1-CG 4.43Å; F32-Y66 HydrophobicContact CE2-CD2 4.46Å; F32-Y66 HydrophobicContact CE2-CG 4.24Å; F32-Y66 HydrophobicContact CG-CD1 4.11Å; F32-Y66 HydrophobicContact CG-CD2 4.43Å; F32-Y66 AromaticContact CG-CG 3.94Å; F32-Y66 HydrophobicContact CG-CG 3.94Å; F32-Y66 HydrophobicContact CZ-CG 4.45Å; F32-L70 HydrophobicContact CE1-CB 4.04Å; F32-L70 HydrophobicContact CE1-CD1 4.48Å; F32-L70 HydrophobicContact CZ-CB 3.95Å; F32-L70 HydrophobicContact CZ-CD1 3.77Å; F32-L70 HydrophobicContact CZ-CG 4.49Å; F32-I73 HydrophobicContact CE1-CD1 4.35Å |
| 33 | Q | 78.4 | Confident | 71.5 | Confident | 68 Ų | 68 | 87.5 Ų | 87.5 | 32% | 0.318 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -56.9 | -49.7 | 177 | -82.8 | 172.7 | 24.3 | 0 | 0 | 111.5 | P29 T30 C35 I36 I37 T69 I73 | P29-Q33 VanDerWaalsContact O-CB 3.3Å; P29-Q33 WeakPolarHBondContact O-CB 3.21Å; P29-Q33 VanDerWaalsContact O-CG 3.24Å; P29-Q33 WeakPolarHBondContact O-CG 3.26Å; P29-Q33 PolarHBondContact O-N 3.33Å; T30-Q33 PolarHBondContact O-N 3.29Å; Q33-C35 PolarHBondContact O-N 3.42Å; Q33-I36 PolarHBondContact O-N 2.77Å; Q33-I37 HydrophobicContact CB-CD1 4.37Å; Q33-I37 WeakPolarHBondContact O-CB 3.37Å; Q33-I37 WeakPolarHBondContact O-CD1 3.49Å; Q33-I37 WeakPolarHBondContact O-CG1 2.98Å; Q33-I37 PolarHBondContact O-N 2.87Å; Q33-T69 HydrophobicContact CG-CG2 4.43Å; Q33-I73 HydrophobicContact CB-CD1 4.27Å; Q33-I73 HydrophobicContact CG-CD1 3.57Å; Q33-I73 HydrophobicContact CG-CG1 4.14Å |
| 34 | D | 80.9 | Confident | 72.3 | Confident | 97 Ų | 97 | 82.3 Ų | 82.3 | 52% | 0.519 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | -179 | -70.4 | -31 | 0 | 0 | 0 | 111.7 | T30 F32 Q38 | T30-D34 WeakPolarHBondContact O-CB 3.34Å; T30-D34 VanDerWaalsContact O-CG 3.25Å; T30-D34 PolarHBondContact O-N 3.29Å; F32-D34 PolarHBondContact O-N 2.81Å; D34-Q38 WeakPolarHBondContact O-CB 3.2Å; D34-Q38 PolarHBondContact O-N 3.46Å |
| 35 | C | 80.2 | Confident | 73.1 | Confident | 57 Ų | 57 | 79.5 Ų | 79.5 | 39% | 0.385 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 175 | -77.1 | 0 | 0 | 0 | 0 | 112.6 | Q31 F32 Q33 G39 F53 | Q31-C35 WeakPolarHBondContact O-CB 3.44Å; Q31-C35 PolarHBondContact O-N 2.88Å; Q31-C35 PolarHBondContact O-SG 3.17Å; F32-C35 PolarHBondContact O-N 3.03Å; Q33-C35 PolarHBondContact O-N 3.42Å; C35-G39 PolarHBondContact O-N 2.97Å; C35-F53 WeakPolarHBondContact O-CZ 3.49Å |
| 36 | I | 81.4 | Confident | 74 | Confident | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.005 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -69 | -45.4 | 178.6 | -66 | -63.1 | 0 | 0 | 0 | 110.8 | F32 Q33 Q38 G39 L40 F53 L54 L61 L70 I73 | F32-I36 HydrophobicContact CD1-CG1 4.27Å; F32-I36 HydrophobicContact CD2-CG1 4.4Å; F32-I36 HydrophobicContact CE1-CG1 3.89Å; F32-I36 HydrophobicContact CE2-CD1 4.23Å; F32-I36 HydrophobicContact CE2-CG1 4.03Å; F32-I36 HydrophobicContact CZ-CD1 4.13Å; F32-I36 HydrophobicContact CZ-CG1 3.77Å; F32-I36 VanDerWaalsContact O-CG1 3.28Å; F32-I36 WeakPolarHBondContact O-CG1 3.43Å; F32-I36 PolarHBondContact O-N 3.4Å; Q33-I36 PolarHBondContact O-N 2.77Å; I36-Q38 PolarHBondContact O-N 3.49Å; I36-G39 PolarHBondContact O-N 3.2Å; I36-L40 HydrophobicContact CG2-CD1 3.71Å; I36-L40 HydrophobicContact CG2-CG 4.26Å; I36-L40 WeakPolarHBondContact O-CB 3.36Å; I36-L40 VanDerWaalsContact O-CG 3.23Å; I36-L40 WeakPolarHBondContact O-CG 3.4Å; I36-L40 PolarHBondContact O-N 2.92Å; I36-F53 HydrophobicContact CD1-CE1 4.15Å; I36-L54 HydrophobicContact CD1-CD2 4.38Å; I36-L61 HydrophobicContact CD1-CD1 3.98Å; I36-L70 HydrophobicContact CD1-CD1 4.07Å; I36-I73 HydrophobicContact CB-CD1 4.4Å; I36-I73 HydrophobicContact CG2-CD1 4.24Å; I36-I73 HydrophobicContact CG2-CG2 4.16Å |
| 37 | I | 80.8 | Confident | 74.8 | Confident | 78 Ų | 78 | 75.4 Ų | 75.4 | 40% | 0.4 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 178.6 | -68.4 | 165.2 | 0 | 0 | 0 | 110.3 | Q33 L40 T41 I73 | Q33-I37 HydrophobicContact CB-CD1 4.37Å; Q33-I37 WeakPolarHBondContact O-CB 3.37Å; Q33-I37 WeakPolarHBondContact O-CD1 3.49Å; Q33-I37 WeakPolarHBondContact O-CG1 2.98Å; Q33-I37 PolarHBondContact O-N 2.87Å; I37-L40 PolarHBondContact O-N 2.77Å; I37-T41 WeakPolarHBondContact O-CB 3.31Å; I37-T41 PolarHBondContact O-N 2.86Å; I37-T41 PolarHBondContact O-OG1 2.78Å; I37-I73 HydrophobicContact CG1-CG2 4.29Å |
| 38 | Q | 82.3 | Confident | 76 | Confident | 114 Ų | 114 | 76.6 Ų | 76.6 | 53% | 0.533 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.4 | -49.1 | 176.2 | -178 | 177.3 | -4.1 | 0 | 0 | 111 | D34 I36 L40 T41 E42 | D34-Q38 WeakPolarHBondContact O-CB 3.2Å; D34-Q38 PolarHBondContact O-N 3.46Å; I36-Q38 PolarHBondContact O-N 3.49Å; Q38-L40 PolarHBondContact O-N 2.91Å; Q38-T41 WeakPolarHBondContact O-CB 3.47Å; Q38-T41 PolarHBondContact O-N 3.46Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.43Å; Q38-E42 PolarHBondContact NE2-OE1 2.98Å; Q38-E42 WeakPolarHBondContact O-CG 3.29Å; Q38-E42 PolarHBondContact O-N 2.94Å |
| 39 | G | 81.8 | Confident | 76.8 | Confident | 2 Ų | 2 | 74.7 Ų | 74.7 | 2% | 0.021 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | C35 I36 T41 E42 T43 F53 | C35-G39 PolarHBondContact O-N 2.97Å; I36-G39 PolarHBondContact O-N 3.2Å; G39-T41 VanDerWaalsContact C-N 3.3Å; G39-T41 PolarHBondContact O-N 2.97Å; G39-E42 PolarHBondContact O-N 3.41Å; G39-T43 PolarHBondContact O-N 3.17Å; G39-T43 PolarHBondContact O-OG1 2.9Å; G39-F53 VanDerWaalsContact CA-CZ 3.45Å |
| 40 | L | 78.2 | Confident | 77.3 | Confident | 39 Ų | 39 | 73.7 Ų | 73.7 | 20% | 0.204 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 175.8 | -72.2 | 171.7 | 0 | 0 | 0 | 112.1 | I36 I37 Q38 E42 T43 G44 V50 I73 L74 | I36-L40 HydrophobicContact CG2-CD1 3.71Å; I36-L40 HydrophobicContact CG2-CG 4.26Å; I36-L40 WeakPolarHBondContact O-CB 3.36Å; I36-L40 VanDerWaalsContact O-CG 3.23Å; I36-L40 WeakPolarHBondContact O-CG 3.4Å; I36-L40 PolarHBondContact O-N 2.92Å; I37-L40 PolarHBondContact O-N 2.77Å; Q38-L40 PolarHBondContact O-N 2.91Å; L40-E42 VanDerWaalsContact C-N 3.34Å; L40-T43 WeakPolarHBondContact CA-OG1 3.23Å; L40-T43 PolarHBondContact O-N 3.41Å; L40-T43 PolarHBondContact O-OG1 3.33Å; L40-G44 PolarHBondContact O-N 3.44Å; L40-V50 HydrophobicContact CD2-CG1 3.73Å; L40-V50 HydrophobicContact CD2-CG2 4.02Å; L40-I73 HydrophobicContact CD1-CG2 4.21Å; L40-L74 HydrophobicContact CD1-CD2 4.27Å; L40-L74 HydrophobicContact CD2-CD2 4.36Å |
| 41 | T | 79.1 | Confident | 77.5 | Confident | 108 Ų | 108 | 71.8 Ų | 71.8 | 66% | 0.663 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67 | -36.4 | 176.1 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | I37 Q38 G39 | I37-T41 WeakPolarHBondContact O-CB 3.31Å; I37-T41 PolarHBondContact O-N 2.86Å; I37-T41 PolarHBondContact O-OG1 2.78Å; Q38-T41 WeakPolarHBondContact O-CB 3.47Å; Q38-T41 PolarHBondContact O-N 3.46Å; G39-T41 VanDerWaalsContact C-N 3.3Å; G39-T41 PolarHBondContact O-N 2.97Å |
| 42 | E | 79.4 | Confident | 77.8 | Confident | 137 Ų | 137 | 71.5 Ų | 71.5 | 64% | 0.64 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -73.5 | -37.1 | 176.8 | -71.2 | 172.7 | -170.8 | 0 | 0 | 112.5 | Q38 G39 L40 | Q38-E42 WeakPolarHBondContact CG-OE1 3.43Å; Q38-E42 PolarHBondContact NE2-OE1 2.98Å; Q38-E42 WeakPolarHBondContact O-CG 3.29Å; Q38-E42 PolarHBondContact O-N 2.94Å; G39-E42 PolarHBondContact O-N 3.41Å; L40-E42 VanDerWaalsContact C-N 3.34Å |
| 43 | T | 73.8 | Confident | 78 | Confident | 25 Ų | 25 | 73.4 Ų | 73.4 | 15% | 0.153 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -82.2 | -15.7 | 178.4 | 49.9 | 0 | 0 | 0 | 0 | 114.2 | G39 L40 T45 D46 A49 V50 F53 | G39-T43 PolarHBondContact O-N 3.17Å; G39-T43 PolarHBondContact O-OG1 2.9Å; L40-T43 WeakPolarHBondContact CA-OG1 3.23Å; L40-T43 PolarHBondContact O-N 3.41Å; L40-T43 PolarHBondContact O-OG1 3.33Å; T43-T45 PolarHBondContact O-N 3.42Å; T43-D46 PolarHBondContact O-N 2.98Å; T43-A49 HydrophobicContact CG2-CB 3.8Å; T43-V50 WeakPolarHBondContact OG1-CG2 3.12Å; T43-F53 HydrophobicContact CG2-CB 4.02Å |
| 44 | G | 70.9 | Confident | 78 | Confident | 47 Ų | 47 | 72 Ų | 72 | 49% | 0.485 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | -132.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L40 | L40-G44 PolarHBondContact O-N 3.44Š|
| 45 | T | 68.7 | Low | 78.1 | Confident | 133 Ų | 133 | 73.6 Ų | 73.6 | 82% | 0.816 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 2.2 | -179.8 | 52 | 0 | 0 | 0 | 0 | 113.8 | T43 L47 | T43-T45 PolarHBondContact O-N 3.42Å; T45-L47 PolarHBondContact O-N 2.86Å |
| 46 | D | 74.9 | Confident | 78 | Confident | 107 Ų | 107 | 74 Ų | 74 | 57% | 0.572 | 42% | 0.415 | S | S | * | . | trans | -82 | 99 | -174.8 | -69 | -38.9 | 0 | 0 | 0 | 110.7 | T43 E48 A49 V50 | T43-D46 PolarHBondContact O-N 2.98Å; D46-E48 PolarHBondContact O-N 2.91Å; D46-A49 HydrophobicContact CB-CB 3.9Å; D46-A49 WeakPolarHBondContact O-CA 3.46Å; D46-A49 WeakPolarHBondContact O-CB 3.38Å; D46-A49 PolarHBondContact O-N 3.3Å; D46-V50 WeakPolarHBondContact O-CG2 3.5Å; D46-V50 PolarHBondContact O-N 3.49Å | ||
| 47 | L | 71.9 | Confident | 77.8 | Confident | 119 Ų | 119 | 74.7 Ų | 74.7 | 62% | 0.623 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -54.4 | -36.8 | -179.6 | -69.6 | 155.9 | 0 | 0 | 0 | 113.1 | T45 A49 V50 A51 F89 | T45-L47 PolarHBondContact O-N 2.86Å; L47-A49 VanDerWaalsContact C-N 3.34Å; L47-V50 PolarHBondContact O-N 3.48Å; L47-A51 WeakPolarHBondContact O-CB 3.42Å; L47-A51 PolarHBondContact O-N 3.25Å; L47-F89 HydrophobicContact CD1-CE2 4.32Å; L47-F89 HydrophobicContact CD2-CE2 4.28Å |
| 48 | E | 76.8 | Confident | 77.3 | Confident | 135 Ų | 135 | 72.3 Ų | 72.3 | 63% | 0.631 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62.8 | -38.1 | 174.4 | -95.7 | -93.8 | 128.7 | 0 | 0 | 112.6 | D46 K52 | D46-E48 PolarHBondContact O-N 2.91Å; E48-K52 WeakPolarHBondContact O-CG 3.37Å; E48-K52 PolarHBondContact O-N 2.82Å; E48-K52 IonicContact OE2-NZ 3.37Å; E48-K52 PolarHBondContact OE2-NZ 2.9Å |
| 49 | A | 75.8 | Confident | 76.7 | Confident | 33 Ų | 33 | 71.2 Ų | 71.2 | 27% | 0.273 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -76.1 | -39.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T43 D46 L47 K52 F53 | T43-A49 HydrophobicContact CG2-CB 3.8Å; D46-A49 HydrophobicContact CB-CB 3.9Å; D46-A49 WeakPolarHBondContact O-CA 3.46Å; D46-A49 WeakPolarHBondContact O-CB 3.38Å; D46-A49 PolarHBondContact O-N 3.3Å; L47-A49 VanDerWaalsContact C-N 3.34Å; A49-K52 PolarHBondContact O-N 3.39Å; A49-F53 WeakPolarHBondContact O-CB 3.14Å; A49-F53 PolarHBondContact O-N 3.36Å |
| 50 | V | 78.3 | Confident | 76 | Confident | 22 Ų | 22 | 80 Ų | 80 | 13% | 0.133 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 173 | 175.4 | 0 | 0 | 0 | 0 | 111 | L40 T43 D46 L47 K52 F53 L54 | L40-V50 HydrophobicContact CD2-CG1 3.73Å; L40-V50 HydrophobicContact CD2-CG2 4.02Å; T43-V50 WeakPolarHBondContact OG1-CG2 3.12Å; D46-V50 WeakPolarHBondContact O-CG2 3.5Å; D46-V50 PolarHBondContact O-N 3.49Å; L47-V50 PolarHBondContact O-N 3.48Å; V50-K52 PolarHBondContact O-N 3.26Å; V50-F53 PolarHBondContact O-N 2.86Å; V50-L54 HydrophobicContact CG1-CD1 3.88Å; V50-L54 HydrophobicContact CG1-CG 4.34Å; V50-L54 WeakPolarHBondContact O-CB 3.24Å; V50-L54 VanDerWaalsContact O-CG 3.31Å; V50-L54 WeakPolarHBondContact O-CG 3.25Å; V50-L54 PolarHBondContact O-N 3.25Å |
| 51 | A | 78.9 | Confident | 75.6 | Confident | 45 Ų | 45 | 79.8 Ų | 79.8 | 37% | 0.372 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L47 F53 L54 D55 | L47-A51 WeakPolarHBondContact O-CB 3.42Å; L47-A51 PolarHBondContact O-N 3.25Å; A51-F53 VanDerWaalsContact C-N 3.34Å; A51-F53 PolarHBondContact O-N 3.45Å; A51-L54 PolarHBondContact O-N 2.91Å; A51-D55 PolarHBondContact O-N 3.2Å |
| 52 | K | 83.1 | Confident | 75.2 | Confident | 128 Ų | 128 | 79.6 Ų | 79.6 | 56% | 0.557 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.1 | -37.8 | 176.4 | -71.1 | 167.6 | -168.1 | 157.9 | 0 | 112.3 | E48 A49 V50 A56 | E48-K52 WeakPolarHBondContact O-CG 3.37Å; E48-K52 PolarHBondContact O-N 2.82Å; E48-K52 IonicContact OE2-NZ 3.37Å; E48-K52 PolarHBondContact OE2-NZ 2.9Å; A49-K52 PolarHBondContact O-N 3.39Å; V50-K52 PolarHBondContact O-N 3.26Å; K52-A56 VanDerWaalsContact O-CB 3.3Å; K52-A56 WeakPolarHBondContact O-CB 3.19Å; K52-A56 PolarHBondContact O-N 2.81Å |
| 53 | F | 82.2 | Confident | 74.8 | Confident | 47 Ų | 47 | 76.3 Ų | 76.3 | 21% | 0.206 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 174.7 | 173.2 | -96.5 | 0 | 0 | 0 | 111.6 | C35 I36 G39 T43 A49 V50 A51 A56 S57 | C35-F53 WeakPolarHBondContact O-CZ 3.49Å; I36-F53 HydrophobicContact CD1-CE1 4.15Å; G39-F53 VanDerWaalsContact CA-CZ 3.45Å; T43-F53 HydrophobicContact CG2-CB 4.02Å; A49-F53 WeakPolarHBondContact O-CB 3.14Å; A49-F53 PolarHBondContact O-N 3.36Å; V50-F53 PolarHBondContact O-N 2.86Å; A51-F53 VanDerWaalsContact C-N 3.34Å; A51-F53 PolarHBondContact O-N 3.45Å; F53-A56 PolarHBondContact O-N 2.87Å; F53-S57 WeakPolarHBondContact CE2-OG 3.37Å; F53-S57 VanDerWaalsContact CZ-OG 3.25Å; F53-S57 WeakPolarHBondContact CZ-OG 3.06Å; F53-S57 WeakPolarHBondContact O-CB 3.28Å; F53-S57 PolarHBondContact O-N 3.32Å; F53-S57 PolarHBondContact O-OG 3.5Å |
| 54 | L | 79.8 | Confident | 74.8 | Confident | 37 Ų | 37 | 87.1 Ų | 87.1 | 19% | 0.194 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 175.3 | -71.2 | 170.6 | 0 | 0 | 0 | 111.1 | I36 V50 A51 A56 S57 G58 Y63 L70 | I36-L54 HydrophobicContact CD1-CD2 4.38Å; V50-L54 HydrophobicContact CG1-CD1 3.88Å; V50-L54 HydrophobicContact CG1-CG 4.34Å; V50-L54 WeakPolarHBondContact O-CB 3.24Å; V50-L54 VanDerWaalsContact O-CG 3.31Å; V50-L54 WeakPolarHBondContact O-CG 3.25Å; V50-L54 PolarHBondContact O-N 3.25Å; A51-L54 PolarHBondContact O-N 2.91Å; L54-A56 VanDerWaalsContact C-N 3.33Å; L54-A56 PolarHBondContact O-N 3.45Å; L54-S57 PolarHBondContact O-N 3.47Å; L54-G58 PolarHBondContact O-N 3.3Å; L54-Y63 PolarHBondContact O-OH 3.12Å; L54-L70 HydrophobicContact CD2-CD1 3.89Å |
| 55 | D | 81.5 | Confident | 74.9 | Confident | 131 Ų | 131 | 90.8 Ų | 90.8 | 70% | 0.701 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.1 | -42.2 | 175.7 | -77.1 | -29.7 | 0 | 0 | 0 | 112.4 | A51 | A51-D55 PolarHBondContact O-N 3.2Å |
| 56 | A | 78.9 | Confident | 75.1 | Confident | 65 Ų | 65 | 85.7 Ų | 85.7 | 54% | 0.537 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68 | -35.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K52 F53 L54 | K52-A56 VanDerWaalsContact O-CB 3.3Å; K52-A56 WeakPolarHBondContact O-CB 3.19Å; K52-A56 PolarHBondContact O-N 2.81Å; F53-A56 PolarHBondContact O-N 2.87Å; L54-A56 VanDerWaalsContact C-N 3.33Å; L54-A56 PolarHBondContact O-N 3.45Å |
| 57 | S | 77.1 | Confident | 75.3 | Confident | 16 Ų | 16 | 82.1 Ų | 82.1 | 11% | 0.112 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -79.8 | -26.3 | -179.8 | -59.6 | 0 | 0 | 0 | 0 | 112 | F53 L54 A59 K60 L61 | F53-S57 WeakPolarHBondContact CE2-OG 3.37Å; F53-S57 VanDerWaalsContact CZ-OG 3.25Å; F53-S57 WeakPolarHBondContact CZ-OG 3.06Å; F53-S57 WeakPolarHBondContact O-CB 3.28Å; F53-S57 PolarHBondContact O-N 3.32Å; F53-S57 PolarHBondContact O-OG 3.5Å; L54-S57 PolarHBondContact O-N 3.47Å; S57-A59 PolarHBondContact O-N 3.43Å; S57-K60 CarbonylContact O-C 3.55Å; S57-K60 WeakPolarHBondContact O-CA 3.28Å; S57-K60 PolarHBondContact O-N 3.33Å; S57-L61 WeakPolarHBondContact O-CB 3.48Å; S57-L61 WeakPolarHBondContact O-CG 3.38Å; S57-L61 PolarHBondContact O-N 2.67Å |
| 58 | G | 71 | Confident | 75.5 | Confident | 29 Ų | 29 | 84.6 Ų | 84.6 | 30% | 0.299 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.7 | -22.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L54 K60 Y63 | L54-G58 PolarHBondContact O-N 3.3Å; G58-K60 VanDerWaalsContact C-N 3.25Å; G58-Y63 VanDerWaalsContact CA-CZ 3.44Å; G58-Y63 WeakPolarHBondContact CA-OH 3.5Å; G58-Y63 PolarHBondContact N-OH 2.69Å; G58-Y63 VanDerWaalsContact N-OH 3.12Å |
| 59 | A | 68.8 | Low | 75.7 | Confident | 91 Ų | 91 | 79.4 Ų | 79.4 | 75% | 0.752 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -21.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S57 | S57-A59 PolarHBondContact O-N 3.43Š|
| 60 | K | 67.2 | Low | 75.8 | Confident | 185 Ų | 185 | 78.8 Ų | 78.8 | 80% | 0.804 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | -24.6 | -178.1 | -71.1 | 176.6 | -179.9 | 171.1 | 0 | 113.4 | S57 G58 | S57-K60 CarbonylContact O-C 3.55Å; S57-K60 WeakPolarHBondContact O-CA 3.28Å; S57-K60 PolarHBondContact O-N 3.33Å; G58-K60 VanDerWaalsContact C-N 3.25Å |
| 61 | L | 68.8 | Low | 75.9 | Confident | 36 Ų | 36 | 84 Ų | 84 | 19% | 0.188 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -117.1 | 127.3 | -171.8 | -61.4 | 171.6 | 0 | 0 | 0 | 110.4 | F32 I36 S57 Y63 | F32-L61 HydrophobicContact CD2-CB 4.08Å; F32-L61 HydrophobicContact CD2-CD1 3.69Å; F32-L61 HydrophobicContact CD2-CD2 3.71Å; F32-L61 HydrophobicContact CD2-CG 4Å; F32-L61 HydrophobicContact CE2-CB 3.79Å; F32-L61 HydrophobicContact CE2-CD1 3.58Å; F32-L61 HydrophobicContact CE2-CD2 4.27Å; F32-L61 HydrophobicContact CE2-CG 4.05Å; I36-L61 HydrophobicContact CD1-CD1 3.98Å; S57-L61 WeakPolarHBondContact O-CB 3.48Å; S57-L61 WeakPolarHBondContact O-CG 3.38Å; S57-L61 PolarHBondContact O-N 2.67Å; L61-Y63 PolarHBondContact O-N 3.02Å |
| 62 | D | 71.3 | Confident | 76 | Confident | 103 Ų | 103 | 87.1 Ų | 87.1 | 55% | 0.551 | 44% | 0.437 | S | S | * | . | trans | -73.4 | 89.7 | 176.5 | -70.5 | -66.6 | 0 | 0 | 0 | 111.5 | R64 R65 Y66 | D62-R64 PolarHBondContact O-N 3.19Å; D62-R64 VanDerWaalsContact O-N 3.09Å; D62-R65 PolarHBondContact O-N 3.37Å; D62-Y66 WeakPolarHBondContact O-CD2 3.25Å; D62-Y66 PolarHBondContact O-N 2.77Å; D62-Y66 VanDerWaalsContact O-N 3.15Å | ||
| 63 | Y | 70.7 | Confident | 75.8 | Confident | 68 Ų | 68 | 82.3 Ų | 82.3 | 27% | 0.267 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57 | -26.3 | 176 | -68.3 | -46.5 | 0 | 0 | 0 | 113.5 | L54 G58 L61 R65 A67 L70 | L54-Y63 PolarHBondContact O-OH 3.12Å; G58-Y63 VanDerWaalsContact CA-CZ 3.44Å; G58-Y63 WeakPolarHBondContact CA-OH 3.5Å; G58-Y63 PolarHBondContact N-OH 2.69Å; G58-Y63 VanDerWaalsContact N-OH 3.12Å; L61-Y63 PolarHBondContact O-N 3.02Å; Y63-R65 VanDerWaalsContact C-N 3.26Å; Y63-R65 PolarHBondContact O-N 2.97Å; Y63-A67 VanDerWaalsContact O-CA 3.25Å; Y63-A67 WeakPolarHBondContact O-CA 3.4Å; Y63-A67 WeakPolarHBondContact O-CB 3.41Å; Y63-A67 PolarHBondContact O-N 2.87Å; Y63-L70 HydrophobicContact CD1-CD1 3.94Å; Y63-L70 HydrophobicContact CE1-CD1 3.54Å |
| 64 | R | 74.3 | Confident | 75.5 | Confident | 252 Ų | 252 | 83.1 Ų | 83.1 | 95% | 0.951 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.9 | -30.2 | 176.2 | -98.5 | -169.4 | 155.7 | -160.3 | -5 | 114.3 | D62 | D62-R64 PolarHBondContact O-N 3.19Å; D62-R64 VanDerWaalsContact O-N 3.09Å |
| 65 | R | 73.9 | Confident | 75.4 | Confident | 125 Ų | 125 | 85.5 Ų | 85.5 | 47% | 0.472 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -98.1 | -29.1 | 179.9 | -92.3 | -178.6 | 177.5 | 173.3 | 11 | 113.2 | E25 F27 D62 Y63 | E25-R65 IonicContact OE2-CZ 3.18Å; E25-R65 VanDerWaalsContact OE2-CZ 3.29Å; E25-R65 IonicContact OE2-NH1 2.77Å; E25-R65 PolarHBondContact OE2-NH1 3.43Å; E25-R65 IonicContact OE2-NH2 3.29Å; E25-R65 PolarHBondContact OE2-NH2 2.99Å; F27-R65 HydrophobicContact CE2-CB 4.28Å; F27-R65 HydrophobicContact CE2-CG 4.33Å; D62-R65 PolarHBondContact O-N 3.37Å; Y63-R65 VanDerWaalsContact C-N 3.26Å; Y63-R65 PolarHBondContact O-N 2.97Å |
| 66 | Y | 72.4 | Confident | 75.1 | Confident | 26 Ų | 26 | 81.3 Ų | 81.3 | 10% | 0.102 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -106.9 | 13.2 | -178.4 | -59.5 | -73.1 | 0 | 0 | 0 | 113.2 | F27 D28 F32 D62 E68 T69 L70 | F27-Y66 HydrophobicContact CD1-CE1 4.13Å; F27-Y66 HydrophobicContact CE1-CD1 4.39Å; F27-Y66 AromaticContact CE1-CE1 3.93Å; F27-Y66 HydrophobicContact CE1-CE1 3.93Å; F27-Y66 HydrophobicContact CZ-CD1 4.48Å; F27-Y66 HydrophobicContact CZ-CE1 4.15Å; D28-Y66 PolarHBondContact N-OH 3.21Å; F32-Y66 HydrophobicContact CB-CD1 4.29Å; F32-Y66 HydrophobicContact CB-CE1 4.46Å; F32-Y66 HydrophobicContact CB-CG 4.47Å; F32-Y66 HydrophobicContact CD1-CD1 4.24Å; F32-Y66 HydrophobicContact CD1-CG 4.18Å; F32-Y66 HydrophobicContact CD2-CD2 4.12Å; F32-Y66 AromaticContact CD2-CG 3.97Å; F32-Y66 HydrophobicContact CD2-CG 3.97Å; F32-Y66 HydrophobicContact CE1-CG 4.43Å; F32-Y66 HydrophobicContact CE2-CD2 4.46Å; F32-Y66 HydrophobicContact CE2-CG 4.24Å; F32-Y66 HydrophobicContact CG-CD1 4.11Å; F32-Y66 HydrophobicContact CG-CD2 4.43Å; F32-Y66 AromaticContact CG-CG 3.94Å; F32-Y66 HydrophobicContact CG-CG 3.94Å; F32-Y66 HydrophobicContact CZ-CG 4.45Å; D62-Y66 WeakPolarHBondContact O-CD2 3.25Å; D62-Y66 PolarHBondContact O-N 2.77Å; D62-Y66 VanDerWaalsContact O-N 3.15Å; Y66-E68 PolarHBondContact O-N 2.81Å; Y66-T69 WeakPolarHBondContact CA-OG1 3.48Å; Y66-T69 PolarHBondContact O-N 3.33Å; Y66-T69 PolarHBondContact O-OG1 3.26Å; Y66-L70 VanDerWaalsContact O-CB 3.28Å; Y66-L70 WeakPolarHBondContact O-CB 3.24Å; Y66-L70 PolarHBondContact O-N 2.84Å |
| 67 | A | 77.8 | Confident | 74.6 | Confident | 32 Ų | 32 | 79.8 Ų | 79.8 | 26% | 0.264 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -56.6 | -49.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y63 T69 L70 F71 | Y63-A67 VanDerWaalsContact O-CA 3.25Å; Y63-A67 WeakPolarHBondContact O-CA 3.4Å; Y63-A67 WeakPolarHBondContact O-CB 3.41Å; Y63-A67 PolarHBondContact O-N 2.87Å; A67-T69 VanDerWaalsContact C-N 3.32Å; A67-T69 PolarHBondContact O-N 2.88Å; A67-L70 PolarHBondContact O-N 3.47Å; A67-F71 HydrophobicContact CB-CD2 4.43Å; A67-F71 WeakPolarHBondContact O-CB 3.44Å; A67-F71 WeakPolarHBondContact O-CD2 3.3Å; A67-F71 PolarHBondContact O-N 3.19Å |
| 68 | E | 78 | Confident | 74 | Confident | 170 Ų | 170 | 80.9 Ų | 80.9 | 79% | 0.794 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59.7 | -44.2 | -179.8 | -67.8 | -165.5 | 160.8 | 0 | 0 | 111.5 | Y66 F71 D72 | Y66-E68 PolarHBondContact O-N 2.81Å; E68-F71 PolarHBondContact O-N 3.42Å; E68-D72 WeakPolarHBondContact O-CB 3.49Å; E68-D72 PolarHBondContact O-N 3.46Å |
| 69 | T | 79.1 | Confident | 73.3 | Confident | 26 Ų | 26 | 85.5 Ų | 85.5 | 16% | 0.16 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 176.7 | -1 | 0 | 0 | 0 | 0 | 112.5 | Q33 Y66 A67 D72 I73 | Q33-T69 HydrophobicContact CG-CG2 4.43Å; Y66-T69 WeakPolarHBondContact CA-OG1 3.48Å; Y66-T69 PolarHBondContact O-N 3.33Å; Y66-T69 PolarHBondContact O-OG1 3.26Å; A67-T69 VanDerWaalsContact C-N 3.32Å; A67-T69 PolarHBondContact O-N 2.88Å; T69-D72 PolarHBondContact O-N 3.04Å; T69-I73 VanDerWaalsContact O-CD1 3.24Å; T69-I73 WeakPolarHBondContact O-CD1 3.18Å; T69-I73 WeakPolarHBondContact O-CG1 3.43Å; T69-I73 PolarHBondContact O-N 3.09Å |
| 70 | L | 79.6 | Confident | 72.5 | Confident | 20 Ų | 20 | 87 Ų | 87 | 11% | 0.105 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.1 | -45 | 177.2 | -176.4 | 125.7 | 0 | 0 | 0 | 111.6 | F32 I36 L54 Y63 Y66 A67 D72 I73 L74 | F32-L70 HydrophobicContact CE1-CB 4.04Å; F32-L70 HydrophobicContact CE1-CD1 4.48Å; F32-L70 HydrophobicContact CZ-CB 3.95Å; F32-L70 HydrophobicContact CZ-CD1 3.77Å; F32-L70 HydrophobicContact CZ-CG 4.49Å; I36-L70 HydrophobicContact CD1-CD1 4.07Å; L54-L70 HydrophobicContact CD2-CD1 3.89Å; Y63-L70 HydrophobicContact CD1-CD1 3.94Å; Y63-L70 HydrophobicContact CE1-CD1 3.54Å; Y66-L70 VanDerWaalsContact O-CB 3.28Å; Y66-L70 WeakPolarHBondContact O-CB 3.24Å; Y66-L70 PolarHBondContact O-N 2.84Å; A67-L70 PolarHBondContact O-N 3.47Å; L70-D72 VanDerWaalsContact C-N 3.34Å; L70-I73 PolarHBondContact O-N 3.15Å; L70-L74 HydrophobicContact CD2-CD1 3.56Å; L70-L74 HydrophobicContact CG-CD1 3.97Å; L70-L74 WeakPolarHBondContact O-CB 3.3Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.44Å; L70-L74 PolarHBondContact O-N 3.35Å |
| 71 | F | 78.8 | Confident | 71.5 | Confident | 133 Ų | 133 | 82 Ų | 82 | 58% | 0.583 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.9 | -41.4 | 175.1 | -82.2 | -67.1 | 0 | 0 | 0 | 111.3 | A67 E68 L74 V75 | A67-F71 HydrophobicContact CB-CD2 4.43Å; A67-F71 WeakPolarHBondContact O-CB 3.44Å; A67-F71 WeakPolarHBondContact O-CD2 3.3Å; A67-F71 PolarHBondContact O-N 3.19Å; E68-F71 PolarHBondContact O-N 3.42Å; F71-L74 PolarHBondContact O-N 2.79Å; F71-V75 VanDerWaalsContact O-CB 3.26Å; F71-V75 WeakPolarHBondContact O-CB 3.5Å; F71-V75 WeakPolarHBondContact O-CG2 3.38Å; F71-V75 PolarHBondContact O-N 2.82Å |
| 72 | D | 81.3 | Confident | 70.4 | Confident | 110 Ų | 110 | 84.9 Ų | 84.9 | 59% | 0.588 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.4 | -43.6 | 177.5 | -160.8 | 25.4 | 0 | 0 | 0 | 111.4 | E68 T69 L70 L74 A76 | E68-D72 WeakPolarHBondContact O-CB 3.49Å; E68-D72 PolarHBondContact O-N 3.46Å; T69-D72 PolarHBondContact O-N 3.04Å; L70-D72 VanDerWaalsContact C-N 3.34Å; D72-L74 PolarHBondContact O-N 3.01Å; D72-A76 WeakPolarHBondContact O-CA 3.49Å; D72-A76 WeakPolarHBondContact O-CB 3.14Å; D72-A76 PolarHBondContact O-N 2.72Å |
| 73 | I | 79.1 | Confident | 69.3 | Low | 27 Ų | 27 | 84 Ų | 84 | 14% | 0.138 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 175.5 | -60.9 | 155.3 | 0 | 0 | 0 | 111.6 | F32 Q33 I36 I37 L40 T69 L70 G77 | F32-I73 HydrophobicContact CE1-CD1 4.35Å; Q33-I73 HydrophobicContact CB-CD1 4.27Å; Q33-I73 HydrophobicContact CG-CD1 3.57Å; Q33-I73 HydrophobicContact CG-CG1 4.14Å; I36-I73 HydrophobicContact CB-CD1 4.4Å; I36-I73 HydrophobicContact CG2-CD1 4.24Å; I36-I73 HydrophobicContact CG2-CG2 4.16Å; I37-I73 HydrophobicContact CG1-CG2 4.29Å; L40-I73 HydrophobicContact CD1-CG2 4.21Å; T69-I73 VanDerWaalsContact O-CD1 3.24Å; T69-I73 WeakPolarHBondContact O-CD1 3.18Å; T69-I73 WeakPolarHBondContact O-CG1 3.43Å; T69-I73 PolarHBondContact O-N 3.09Å; L70-I73 PolarHBondContact O-N 3.15Å; I73-G77 WeakPolarHBondContact O-CA 3.45Å; I73-G77 PolarHBondContact O-N 2.98Å |
| 74 | L | 77.3 | Confident | 68 | Low | 63 Ų | 63 | 86.6 Ų | 86.6 | 33% | 0.33 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.6 | -42.2 | -179.2 | -72.8 | 168.9 | 0 | 0 | 0 | 112.1 | L40 L70 F71 D72 G78 | L40-L74 HydrophobicContact CD1-CD2 4.27Å; L40-L74 HydrophobicContact CD2-CD2 4.36Å; L70-L74 HydrophobicContact CD2-CD1 3.56Å; L70-L74 HydrophobicContact CG-CD1 3.97Å; L70-L74 WeakPolarHBondContact O-CB 3.3Å; L70-L74 VanDerWaalsContact O-CG 3.29Å; L70-L74 WeakPolarHBondContact O-CG 3.44Å; L70-L74 PolarHBondContact O-N 3.35Å; F71-L74 PolarHBondContact O-N 2.79Å; D72-L74 PolarHBondContact O-N 3.01Å; L74-G78 PolarHBondContact O-N 2.95Å |
| 75 | V | 77.2 | Confident | 66.6 | Low | 87 Ų | 87 | 80.6 Ų | 80.6 | 53% | 0.527 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -73.5 | -51 | 179.2 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | F71 G78 M79 | F71-V75 VanDerWaalsContact O-CB 3.26Å; F71-V75 WeakPolarHBondContact O-CB 3.5Å; F71-V75 WeakPolarHBondContact O-CG2 3.38Å; F71-V75 PolarHBondContact O-N 2.82Å; V75-G78 PolarHBondContact O-N 2.93Å; V75-M79 HydrophobicContact CG1-SD 4.28Å; V75-M79 VanDerWaalsContact O-CG 3.31Å; V75-M79 WeakPolarHBondContact O-CG 3.22Å; V75-M79 PolarHBondContact O-N 3.3Å |
| 76 | A | 75.4 | Confident | 65.2 | Low | 43 Ų | 43 | 83.9 Ų | 83.9 | 36% | 0.355 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D72 M79 L80 | D72-A76 WeakPolarHBondContact O-CA 3.49Å; D72-A76 WeakPolarHBondContact O-CB 3.14Å; D72-A76 PolarHBondContact O-N 2.72Å; A76-M79 PolarHBondContact O-N 3Å; A76-L80 VanDerWaalsContact O-CB 3.28Å; A76-L80 WeakPolarHBondContact O-CB 3.48Å; A76-L80 PolarHBondContact O-N 3.21Å |
| 77 | G | 67.4 | Low | 64 | Low | 33 Ų | 33 | 85.2 Ų | 85.2 | 34% | 0.34 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I73 L80 V81 | I73-G77 WeakPolarHBondContact O-CA 3.45Å; I73-G77 PolarHBondContact O-N 2.98Å; G77-L80 PolarHBondContact O-N 3.23Å; G77-V81 WeakPolarHBondContact O-CG2 2.93Å; G77-V81 PolarHBondContact O-N 3.49Å |
| 78 | G | 64.2 | Low | 62.6 | Low | 39 Ų | 39 | 89.8 Ų | 89.8 | 40% | 0.402 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L74 V75 T82 | L74-G78 PolarHBondContact O-N 2.95Å; V75-G78 PolarHBondContact O-N 2.93Å; G78-T82 PolarHBondContact O-N 2.61Å |
| 79 | M | 58 | Low | 60.9 | Low | 126 Ų | 126 | 87.8 Ų | 87.8 | 62% | 0.621 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.2 | -37.5 | 175 | -71.2 | 179.7 | 67.3 | 0 | 0 | 112.4 | V75 A76 V81 T82 | V75-M79 HydrophobicContact CG1-SD 4.28Å; V75-M79 VanDerWaalsContact O-CG 3.31Å; V75-M79 WeakPolarHBondContact O-CG 3.22Å; V75-M79 PolarHBondContact O-N 3.3Å; A76-M79 PolarHBondContact O-N 3Å; M79-V81 VanDerWaalsContact C-N 3.35Å; M79-T82 PolarHBondContact O-N 3.29Å; M79-T82 VanDerWaalsContact O-N 3.14Å; M79-T82 PolarHBondContact O-OG1 3.43Å |
| 80 | L | 50 | Low | 59.3 | Low | 124 Ų | 124 | 97 Ų | 97 | 65% | 0.649 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.8 | -32.9 | -178.3 | -145.4 | 148.1 | 0 | 0 | 0 | 111.3 | A76 G77 T82 A83 | A76-L80 VanDerWaalsContact O-CB 3.28Å; A76-L80 WeakPolarHBondContact O-CB 3.48Å; A76-L80 PolarHBondContact O-N 3.21Å; G77-L80 PolarHBondContact O-N 3.23Å; L80-T82 VanDerWaalsContact C-N 3.27Å; L80-T82 PolarHBondContact O-N 2.91Å; L80-A83 PolarHBondContact O-N 2.62Å |
| 81 | V | 47.5 | Very low | 57.6 | Low | 78 Ų | 78 | 102 Ų | 102 | 47% | 0.473 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.1 | -31.6 | 170.2 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | G77 M79 A83 L84 | G77-V81 WeakPolarHBondContact O-CG2 2.93Å; G77-V81 PolarHBondContact O-N 3.49Å; M79-V81 VanDerWaalsContact C-N 3.35Å; V81-A83 PolarHBondContact O-N 2.81Å; V81-L84 PolarHBondContact O-N 2.86Å |
| 82 | T | 45.8 | Very low | 55.7 | Low | 97 Ų | 97 | 98.5 Ų | 98.5 | 60% | 0.595 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.3 | -13.9 | 175.6 | 62.4 | 0 | 0 | 0 | 0 | 114.8 | G78 M79 L80 | G78-T82 PolarHBondContact O-N 2.61Å; M79-T82 PolarHBondContact O-N 3.29Å; M79-T82 VanDerWaalsContact O-N 3.14Å; M79-T82 PolarHBondContact O-OG1 3.43Å; L80-T82 VanDerWaalsContact C-N 3.27Å; L80-T82 PolarHBondContact O-N 2.91Å |
| 83 | A | 48.4 | Very low | 54 | Low | 84 Ų | 84 | 101.3 Ų | 101.3 | 69% | 0.694 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -10.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L80 V81 | L80-A83 PolarHBondContact O-N 2.62Å; V81-A83 PolarHBondContact O-N 2.81Å |
| 84 | L | 42.3 | Very low | 52.6 | Low | 123 Ų | 123 | 108.3 Ų | 108.3 | 64% | 0.644 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -105.7 | 132.4 | 175.1 | -85 | 159.4 | 0 | 0 | 0 | 110.3 | V81 K86 | V81-L84 PolarHBondContact O-N 2.86Å; L84-K86 PolarHBondContact O-N 3.37Å |
| 85 | P | 44.6 | Very low | 50.6 | Low | 127 Ų | 127 | 114.3 Ų | 114.3 | 83% | 0.825 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -75.3 | 40.4 | -171.4 | 31.2 | -36.8 | 0 | 0 | 0 | 114.3 | ||
| 86 | K | 45.1 | Very low | 48.6 | Very low | 193 Ų | 193 | 113.9 Ų | 113.9 | 84% | 0.839 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -144.1 | 98.7 | 171.5 | -68.7 | -167.3 | 178.1 | 163.6 | 0 | 110.5 | L84 | L84-K86 PolarHBondContact O-N 3.37Š|
| 87 | G | 46.6 | Very low | 46.6 | Very low | 54 Ų | 54 | 117 Ų | 117 | 56% | 0.557 | 67% | 0.669 | S | S | * | * | trans | 120.5 | 89 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113 | F89 | G87-F89 PolarHBondContact O-N 2.73Å; G87-F89 VanDerWaalsContact O-N 3.16Å | ||
| 88 | V | 48.6 | Very low | 45.2 | Very low | 128 Ų | 128 | 122.4 Ų | 122.4 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | -63.9 | 107.7 | 170.8 | 167 | 0 | 0 | 0 | 0 | 109.2 | R90 | V88-R90 HydrophobicContact CG1-CB 4.27Å; V88-R90 HydrophobicContact CG1-CG 3.23Å | ||
| 89 | F | 42.7 | Very low | 44.3 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 57% | 0.566 | 70% | 0.696 | S | S | * | * | trans | -87 | 96.7 | 149.8 | -157.8 | -97.1 | 0 | 0 | 0 | 106 | L47 G87 V91 | L47-F89 HydrophobicContact CD1-CE2 4.32Å; L47-F89 HydrophobicContact CD2-CE2 4.28Å; G87-F89 PolarHBondContact O-N 2.73Å; G87-F89 VanDerWaalsContact O-N 3.16Å; F89-V91 VanDerWaalsContact C-N 3.31Å; F89-V91 HydrophobicContact CD1-CG2 3.8Å; F89-V91 HydrophobicContact CE1-CG2 4.17Å; F89-V91 PolarHBondContact O-N 3.06Å | ||
| 90 | R | 45 | Very low | 43.7 | Very low | 219 Ų | 219 | 125.4 Ų | 125.4 | 83% | 0.826 | 70% | 0.698 | S | S | * | * | trans | -68.5 | 102.6 | 163.6 | -59.3 | -161.6 | 93.1 | 156.2 | 1.8 | 104.8 | V88 G92 | V88-R90 HydrophobicContact CG1-CB 4.27Å; V88-R90 HydrophobicContact CG1-CG 3.23Å; R90-G92 PolarHBondContact O-N 3.15Å | ||
| 91 | V | 43.7 | Very low | 43.1 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | trans | -61.4 | 87.9 | 152.4 | 178.5 | 0 | 0 | 0 | 0 | 104.5 | F89 E93 | F89-V91 VanDerWaalsContact C-N 3.31Å; F89-V91 HydrophobicContact CD1-CG2 3.8Å; F89-V91 HydrophobicContact CE1-CG2 4.17Å; F89-V91 PolarHBondContact O-N 3.06Å; V91-E93 PolarHBondContact O-N 2.92Å; V91-E93 VanDerWaalsContact O-N 3.12Å | ||
| 92 | G | 40.3 | Very low | 42.9 | Very low | 60 Ų | 60 | 130.2 Ų | 130.2 | 62% | 0.619 | 71% | 0.713 | S | S | * | * | trans | -61.5 | 111 | 169.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | R90 | R90-G92 PolarHBondContact O-N 3.15Š| ||
| 93 | E | 44 | Very low | 43.2 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 50.6 | 111.4 | 135.4 | -149.3 | 162.4 | 104.2 | 0 | 0 | 116.7 | V91 Q95 | V91-E93 PolarHBondContact O-N 2.92Å; V91-E93 VanDerWaalsContact O-N 3.12Å; E93-Q95 PolarHBondContact O-N 3.01Å |
| 94 | E | 50.5 | Low | 43.3 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | trans | 27 | 84.4 | 148.8 | -70.2 | -179.3 | 89.7 | 0 | 0 | 116 | A96 | E94-A96 PolarHBondContact O-N 3.15Š| ||
| 95 | Q | 35.5 | Very low | 43.4 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | trans | -88.4 | 83.5 | 133.1 | -75.9 | -175.8 | 86 | 0 | 0 | 106.5 | E93 C97 | E93-Q95 PolarHBondContact O-N 3.01Å; Q95-C97 PolarHBondContact O-N 2.87Å | ||
| 96 | A | 35.5 | Very low | 43.3 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | trans | -50.1 | 101.1 | 144.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | E94 H98 | E94-A96 PolarHBondContact O-N 3.15Å; A96-H98 PolarHBondContact O-N 2.82Å | ||
| 97 | C | 33.9 | Very low | 43.2 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | -57 | 91.4 | 157 | -50.7 | 0 | 0 | 0 | 0 | 104 | Q95 V99 | Q95-C97 PolarHBondContact O-N 2.87Å; C97-V99 HydrophobicContact CB-CG2 4.09Å; C97-V99 PolarHBondContact O-N 2.8Å | ||
| 98 | H | 38 | Very low | 43 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 68% | 0.676 | 77% | 0.77 | S | S | * | * | trans | -66.1 | 81.2 | 159.5 | -172 | 55.9 | 0 | 0 | 0 | 104.4 | A96 D100 | A96-H98 PolarHBondContact O-N 2.82Å; H98-D100 IonicContact CD2-OD2 3.27Å; H98-D100 PolarHBondContact CD2-OD2 3.12Å; H98-D100 IonicContact NE2-OD1 2.61Å; H98-D100 PolarHBondContact NE2-OD1 2.78Å; H98-D100 IonicContact NE2-OD2 3.45Å; H98-D100 PolarHBondContact NE2-OD2 3.3Å; H98-D100 PolarHBondContact O-N 2.9Å | ||
| 99 | V | 43.5 | Very low | 42.7 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 63% | 0.63 | 77% | 0.769 | S | S | * | * | trans | -65.9 | 99 | 158.4 | -172.9 | 0 | 0 | 0 | 0 | 102.6 | C97 W101 | C97-V99 HydrophobicContact CB-CG2 4.09Å; C97-V99 PolarHBondContact O-N 2.8Å; V99-W101 HydrophobicContact CG1-CB 4Å; V99-W101 PolarHBondContact O-N 2.9Å | ||
| 100 | D | 45.8 | Very low | 42.7 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | trans | -60 | 68.8 | 154 | -94.9 | -66.7 | 0 | 0 | 0 | 107.4 | H98 C102 | H98-D100 IonicContact CD2-OD2 3.27Å; H98-D100 PolarHBondContact CD2-OD2 3.12Å; H98-D100 IonicContact NE2-OD1 2.61Å; H98-D100 PolarHBondContact NE2-OD1 2.78Å; H98-D100 IonicContact NE2-OD2 3.45Å; H98-D100 PolarHBondContact NE2-OD2 3.3Å; H98-D100 PolarHBondContact O-N 2.9Å; D100-C102 PolarHBondContact O-N 2.86Å | ||
| 101 | W | 38.4 | Very low | 42.5 | Very low | 205 Ų | 205 | 129.9 Ų | 129.9 | 78% | 0.777 | 78% | 0.779 | S | S | * | * | trans | -82.8 | 89.4 | 154.7 | -171.9 | -94.5 | 0 | 0 | 0 | 104 | V99 P103 | V99-W101 HydrophobicContact CG1-CB 4Å; V99-W101 PolarHBondContact O-N 2.9Å; W101-P103 WeakPolarHBondContact O-CD 3.33Å | ||
| 102 | C | 43.2 | Very low | 42.4 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | trans | -82.5 | 104.4 | 170.3 | -150.8 | 0 | 0 | 0 | 0 | 106.5 | D100 S104 | D100-C102 PolarHBondContact O-N 2.86Å; C102-S104 PolarHBondContact O-N 3.05Å | ||
| 103 | P | 51.5 | Low | 42.6 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | trans | -94 | 91.4 | 164.9 | 32 | -13.8 | 0 | 0 | 0 | 106.1 | W101 | W101-P103 WeakPolarHBondContact O-CD 3.33Š| ||
| 104 | S | 49.9 | Very low | 42.5 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -143.4 | 97.5 | 167.9 | -72.2 | 0 | 0 | 0 | 0 | 108.8 | C102 | C102-S104 PolarHBondContact O-N 3.05Š| ||
| 105 | G | 44.4 | Very low | 41.8 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 100% | 1.598 | 79% | 0.792 | S | S | * | * | trans | 168.1 | 0 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109 |
Retrieved 105 of 105 residues in 25.1 ms
(Link to these results)