| 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 | 35.8 | Very low | 41.5 | Very low | 245 Ų | 245 | 150.2 Ų | 150.2 | 100% | 1.207 | 85% | 0.851 | S | S | * | * | 0 | 145.4 | 0 | -71.1 | 165.4 | 170.5 | 0 | 0 | 107.9 | |||||
| 2 | V | 38.6 | Very low | 41.5 | Very low | 139 Ų | 139 | 148.3 Ų | 148.3 | 84% | 0.842 | 84% | 0.837 | S | S | * | * | trans | -120.6 | 128.3 | -177 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | P | 38.9 | Very low | 41.9 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 71% | 0.714 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -72 | 151.3 | 174.8 | 30.9 | -34.3 | 0 | 0 | 0 | 111 | ||
| 4 | P | 42.3 | Very low | 42.1 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 147.7 | -171.9 | 29.5 | -35.6 | 0 | 0 | 0 | 113 | ||
| 5 | L | 44 | Very low | 42.5 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 92% | 0.916 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 130 | 165.7 | -74.8 | 163.8 | 0 | 0 | 0 | 109.8 | ||
| 6 | A | 43.1 | Very low | 42.2 | Very low | 90 Ų | 90 | 139.1 Ų | 139.1 | 74% | 0.744 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 140.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 7 | P | 40.3 | Very low | 42 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 140.3 | 178.8 | 29.2 | -34.2 | 0 | 0 | 0 | 111.2 | ||
| 8 | L | 42.3 | Very low | 41.9 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 86% | 0.859 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 142.5 | 170.1 | -65.7 | 174.4 | 0 | 0 | 0 | 110 | ||
| 9 | P | 43.1 | Very low | 41.6 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 72% | 0.721 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -65 | 149.9 | 176.4 | 28 | -34.7 | 0 | 0 | 0 | 111.2 | ||
| 10 | P | 42.9 | Very low | 41.2 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 146.3 | 178.8 | 28.1 | -34.9 | 0 | 0 | 0 | 111.3 | D12 | P10-D12 PolarHBondContact O-N 3.28Š|
| 11 | R | 44.9 | Very low | 41.2 | Very low | 240 Ų | 240 | 146.7 Ų | 146.7 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 122.3 | 168.4 | -63.1 | 176.3 | 84.9 | 174.1 | 6.6 | 108.2 | ||
| 12 | D | 41.4 | Very low | 41.4 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 68% | 0.679 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 128.8 | 174.1 | -159 | -52.4 | 0 | 0 | 0 | 110.2 | P10 N14 | P10-D12 PolarHBondContact O-N 3.28Å; D12-N14 VanDerWaalsContact C-N 3.33Å; D12-N14 PolarHBondContact OD1-N 3.22Å |
| 13 | P | 46.5 | Very low | 41.6 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -71.8 | -20.3 | 177.4 | -19.3 | 33.4 | 0 | 0 | 0 | 114.7 | ||
| 14 | N | 44.6 | Very low | 42.4 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -100.3 | 112.2 | -172.6 | -81.1 | -42 | 0 | 0 | 0 | 112.3 | D12 A16 | D12-N14 VanDerWaalsContact C-N 3.33Å; D12-N14 PolarHBondContact OD1-N 3.22Å; N14-A16 PolarHBondContact O-N 3.33Å |
| 15 | G | 49.3 | Very low | 43.4 | Very low | 89 Ų | 89 | 141.8 Ų | 141.8 | 92% | 0.918 | 81% | 0.806 | S | S | * | * | trans | -73 | 87.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 16 | A | 36.9 | Very low | 44.6 | Very low | 96 Ų | 96 | 137.1 Ų | 137.1 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | -88.2 | 150.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111 | N14 | N14-A16 PolarHBondContact O-N 3.33Š| ||
| 17 | G | 38.5 | Very low | 46.2 | Very low | 62 Ų | 62 | 135 Ų | 135 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | trans | -72.7 | 170.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E19 | G17-E19 PolarHBondContact O-N 2.92Š| ||
| 18 | P | 40.2 | Very low | 47.9 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | trans | -66.7 | 103.8 | -179 | 27.7 | -34.4 | 0 | 0 | 0 | 111.5 | W20 | P18-W20 PolarHBondContact O-N 3.44Š| ||
| 19 | E | 36.7 | Very low | 49.5 | Very low | 185 Ų | 185 | 125 Ų | 125 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | trans | -65.8 | 123.8 | 167.3 | -168 | 178.3 | 158 | 0 | 0 | 109.4 | G17 R21 | G17-E19 PolarHBondContact O-N 2.92Å; E19-R21 PolarHBondContact O-N 2.9Å | ||
| 20 | W | 34.7 | Very low | 51.1 | Low | 246 Ų | 246 | 125.2 Ų | 125.2 | 93% | 0.932 | 71% | 0.708 | S | S | * | * | trans | -73.6 | 94.4 | -178.1 | -66.3 | 87.1 | 0 | 0 | 0 | 109.7 | P18 | P18-W20 PolarHBondContact O-N 3.44Š| ||
| 21 | R | 39.6 | Very low | 52.9 | Low | 240 Ų | 240 | 122.4 Ų | 122.4 | 91% | 0.906 | 69% | 0.688 | S | S | * | * | trans | -53.4 | 141.5 | 169.5 | -69.6 | -171.5 | 178.8 | -167.4 | -0.2 | 110.3 | E19 | E19-R21 PolarHBondContact O-N 2.9Š| ||
| 22 | E | 41.2 | Very low | 54.5 | Low | 178 Ų | 178 | 111.6 Ų | 111.6 | 83% | 0.832 | 65% | 0.65 | S | S | * | * | trans | -58 | 157.1 | 172.6 | -60.1 | -167.9 | 124.7 | 0 | 0 | 111.5 | G24 | E22-G24 VanDerWaalsContact C-N 3.33Å; E22-G24 PolarHBondContact O-N 2.82Å | ||
| 23 | P | 43.3 | Very low | 56.3 | Low | 139 Ų | 139 | 109.3 Ų | 109.3 | 90% | 0.903 | 64% | 0.641 | S | S | * | * | trans | -63.8 | 86.3 | -177.8 | -22.9 | 35.6 | 0 | 0 | 0 | 113.2 | ||||
| 24 | G | 54.5 | Low | 57.8 | Low | 63 Ų | 63 | 109.5 Ų | 109.5 | 65% | 0.649 | 63% | 0.626 | S | S | * | * | trans | -61.7 | 147 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E22 V26 | E22-G24 VanDerWaalsContact C-N 3.33Å; E22-G24 PolarHBondContact O-N 2.82Å; G24-V26 PolarHBondContact O-N 3.19Å | ||
| 25 | I | 64.3 | Low | 59.1 | Low | 139 Ų | 139 | 106.9 Ų | 106.9 | 71% | 0.713 | 61% | 0.608 | S | S | * | * | trans | -60.9 | 119.8 | 176.4 | -65 | 164.5 | 0 | 0 | 0 | 109 | S27 I67 | I25-S27 PolarHBondContact O-N 3.42Å; I25-I67 HydrophobicContact CG2-CB 4.35Å; I25-I67 HydrophobicContact CG2-CD1 4.49Å; I25-I67 HydrophobicContact CG2-CG1 4.04Å; I25-I67 HydrophobicContact CG2-CG2 3.73Å | ||
| 26 | V | 68.9 | Low | 59.8 | Low | 77 Ų | 77 | 105.2 Ų | 105.2 | 47% | 0.467 | 58% | 0.582 | S | S | . | * | trans | -65.5 | 110.8 | -177.2 | 178.2 | 0 | 0 | 0 | 0 | 110.2 | G24 D30 V31 I67 | G24-V26 PolarHBondContact O-N 3.19Å; V26-D30 HydrophobicContact CG1-CB 4.21Å; V26-V31 HydrophobicContact CG1-CG2 3.66Å; V26-I67 WeakPolarHBondContact O-CG2 3.39Å | ||
| 27 | S | 75.8 | Confident | 60.8 | Low | 46 Ų | 46 | 110.9 Ų | 110.9 | 32% | 0.322 | 58% | 0.583 | S | S | . | * | trans | -83 | 167.2 | -179 | 81.9 | 0 | 0 | 0 | 0 | 112 | I25 A29 D30 | I25-S27 PolarHBondContact O-N 3.42Å; S27-A29 PolarHBondContact O-N 3.46Å; S27-A29 PolarHBondContact OG-N 3.37Å; S27-D30 WeakPolarHBondContact CA-OD2 3.26Å; S27-D30 VanDerWaalsContact CB-OD2 3.23Å; S27-D30 WeakPolarHBondContact CB-OD2 3.42Å; S27-D30 PolarHBondContact N-OD2 3.41Å; S27-D30 PolarHBondContact O-N 3.32Å; S27-D30 VanDerWaalsContact O-N 3.15Å; S27-D30 PolarHBondContact OG-OD2 3.38Å | ||
| 28 | F | 76.7 | Confident | 61.9 | Low | 15 Ų | 15 | 114 Ų | 114 | 7% | 0.066 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -59.3 | -31.3 | 171.3 | 179.5 | -94.4 | 0 | 0 | 0 | 112.5 | D30 V31 A32 M55 T58 Y59 L62 P72 L74 I75 | F28-D30 VanDerWaalsContact C-N 3.26Å; F28-D30 PolarHBondContact O-N 3.2Å; F28-V31 PolarHBondContact O-N 3.35Å; F28-A32 HydrophobicContact CD1-CB 3.97Å; F28-A32 HydrophobicContact CE1-CB 3.53Å; F28-A32 HydrophobicContact CZ-CB 3.84Å; F28-A32 WeakPolarHBondContact O-CB 3.37Å; F28-A32 PolarHBondContact O-N 2.86Å; F28-M55 HydrophobicContact CZ-SD 4.27Å; F28-T58 HydrophobicContact CD2-CG2 4.47Å; F28-T58 HydrophobicContact CE2-CG2 4.3Å; F28-Y59 HydrophobicContact CD2-CD2 4.01Å; F28-Y59 HydrophobicContact CD2-CG 4.49Å; F28-Y59 HydrophobicContact CE2-CD2 4.46Å; F28-Y59 HydrophobicContact CG-CD2 4.34Å; F28-L62 HydrophobicContact CB-CD1 4.12Å; F28-L62 HydrophobicContact CD2-CD1 4.15Å; F28-P72 HydrophobicContact CB-CG 4.3Å; F28-P72 HydrophobicContact CD1-CB 3.99Å; F28-P72 HydrophobicContact CD1-CG 3.5Å; F28-P72 HydrophobicContact CE1-CB 4.15Å; F28-P72 HydrophobicContact CE1-CG 4.04Å; F28-P72 HydrophobicContact CG-CG 3.98Å; F28-L74 HydrophobicContact CE1-CD2 4.21Å; F28-L74 HydrophobicContact CZ-CD2 4.47Å; F28-I75 HydrophobicContact CE1-CD1 4.29Å; F28-I75 HydrophobicContact CE1-CG1 3.94Å; F28-I75 HydrophobicContact CE2-CD1 3.91Å; F28-I75 HydrophobicContact CE2-CG1 4.12Å; F28-I75 HydrophobicContact CZ-CD1 3.52Å; F28-I75 HydrophobicContact CZ-CG1 3.65Å |
| 29 | A | 75.2 | Confident | 62.9 | Low | 60 Ų | 60 | 113 Ų | 113 | 50% | 0.496 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.2 | -22.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S27 V31 | S27-A29 PolarHBondContact O-N 3.46Å; S27-A29 PolarHBondContact OG-N 3.37Å; A29-V31 VanDerWaalsContact C-N 3.33Å |
| 30 | D | 77.8 | Confident | 64.6 | Low | 117 Ų | 117 | 105.9 Ų | 105.9 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -80.6 | -14.5 | 177.7 | -55.9 | -69.4 | 0 | 0 | 0 | 112.9 | V26 S27 F28 | V26-D30 HydrophobicContact CG1-CB 4.21Å; S27-D30 WeakPolarHBondContact CA-OD2 3.26Å; S27-D30 VanDerWaalsContact CB-OD2 3.23Å; S27-D30 WeakPolarHBondContact CB-OD2 3.42Å; S27-D30 PolarHBondContact N-OD2 3.41Å; S27-D30 PolarHBondContact O-N 3.32Å; S27-D30 VanDerWaalsContact O-N 3.15Å; S27-D30 PolarHBondContact OG-OD2 3.38Å; F28-D30 VanDerWaalsContact C-N 3.26Å; F28-D30 PolarHBondContact O-N 3.2Å |
| 31 | V | 79.1 | Confident | 65.9 | Low | 67 Ų | 67 | 96.4 Ų | 96.4 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -117 | -22.1 | -177.2 | -165.7 | 0 | 0 | 0 | 0 | 112.2 | V26 F28 A29 V33 T58 L62 | V26-V31 HydrophobicContact CG1-CG2 3.66Å; F28-V31 PolarHBondContact O-N 3.35Å; A29-V31 VanDerWaalsContact C-N 3.33Å; V31-V33 PolarHBondContact O-N 2.95Å; V31-T58 HydrophobicContact CB-CG2 4.16Å; V31-T58 HydrophobicContact CG1-CG2 3.68Å; V31-L62 HydrophobicContact CG2-CD1 4.34Å |
| 32 | A | 79.1 | Confident | 67.6 | Low | 13 Ų | 13 | 90.2 Ų | 90.2 | 11% | 0.107 | 50% | 0.502 | C | S | . | . | trans | -67.2 | 128.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | F28 Y34 M55 L74 | F28-A32 HydrophobicContact CD1-CB 3.97Å; F28-A32 HydrophobicContact CE1-CB 3.53Å; F28-A32 HydrophobicContact CZ-CB 3.84Å; F28-A32 WeakPolarHBondContact O-CB 3.37Å; F28-A32 PolarHBondContact O-N 2.86Å; A32-Y34 HydrophobicContact CB-CD2 4.37Å; A32-Y34 HydrophobicContact CB-CE2 3.63Å; A32-Y34 WeakPolarHBondContact O-CD2 3.42Å; A32-M55 HydrophobicContact CB-SD 4.34Å; A32-L74 HydrophobicContact CB-CD2 4.43Å | ||
| 33 | V | 80 | Confident | 69.1 | Low | 79 Ų | 79 | 83.1 Ų | 83.1 | 48% | 0.479 | 47% | 0.469 | S | S | . | . | trans | -89.6 | 132.6 | 167.6 | 179.4 | 0 | 0 | 0 | 0 | 107.5 | V31 F35 Y51 M55 | V31-V33 PolarHBondContact O-N 2.95Å; V33-F35 HydrophobicContact CG1-CE2 4.45Å; V33-F35 HydrophobicContact CG1-CZ 4.38Å; V33-Y51 HydrophobicContact CB-CE2 4.5Å; V33-Y51 WeakPolarHBondContact O-CE2 3.39Å; V33-Y51 PolarHBondContact O-OH 3.18Å; V33-M55 HydrophobicContact CB-CE 3.95Å; V33-M55 HydrophobicContact CG2-CE 4.2Å | ||
| 34 | Y | 76.8 | Confident | 70.8 | Confident | 130 Ų | 130 | 85.4 Ų | 85.4 | 51% | 0.51 | 46% | 0.46 | S | S | . | . | trans | -111.6 | 146.6 | 176.2 | -62.9 | -95.7 | 0 | 0 | 0 | 109.7 | A32 L74 | A32-Y34 HydrophobicContact CB-CD2 4.37Å; A32-Y34 HydrophobicContact CB-CE2 3.63Å; A32-Y34 WeakPolarHBondContact O-CD2 3.42Å; Y34-L74 HydrophobicContact CD1-CD2 4.16Å; Y34-L74 HydrophobicContact CE1-CD2 3.82Å | ||
| 35 | F | 73.1 | Confident | 71.9 | Confident | 80 Ų | 80 | 87.4 Ų | 87.4 | 35% | 0.351 | 46% | 0.461 | S | S | . | . | trans | -119.4 | 145.3 | 172.8 | -70.5 | -70.2 | 0 | 0 | 0 | 109.9 | V33 E39 W40 L43 Y51 | V33-F35 HydrophobicContact CG1-CE2 4.45Å; V33-F35 HydrophobicContact CG1-CZ 4.38Å; F35-E39 WeakPolarHBondContact CA-OE2 3.42Å; F35-E39 HydrophobicContact CB-CB 4.2Å; F35-E39 HydrophobicContact CD1-CB 3.95Å; F35-W40 HydrophobicContact CB-CB 4.42Å; F35-W40 HydrophobicContact CB-CE3 4.39Å; F35-W40 AromaticContact CD2-CE3 3.92Å; F35-W40 HydrophobicContact CD2-CE3 3.92Å; F35-W40 HydrophobicContact CD2-CZ3 4.17Å; F35-W40 HydrophobicContact CG-CE3 4.44Å; F35-L43 HydrophobicContact CD2-CD1 4.03Å; F35-L43 HydrophobicContact CE2-CD1 3.81Å; F35-L43 HydrophobicContact CG-CD1 4.48Å; F35-L43 HydrophobicContact CZ-CD1 4.07Å; F35-Y51 HydrophobicContact CD2-CD2 4.11Å; F35-Y51 AromaticContact CD2-CE2 3.78Å; F35-Y51 HydrophobicContact CD2-CE2 3.78Å; F35-Y51 AromaticContact CE2-CD2 3.58Å; F35-Y51 HydrophobicContact CE2-CD2 3.58Å; F35-Y51 AromaticContact CE2-CE2 3.64Å; F35-Y51 HydrophobicContact CE2-CE2 3.64Å; F35-Y51 HydrophobicContact CE2-CG 4.31Å | ||
| 36 | C | 64.1 | Low | 72.3 | Confident | 54 Ų | 54 | 84.5 Ų | 84.5 | 37% | 0.365 | 46% | 0.458 | S | S | . | . | trans | -72.8 | 171.4 | 165 | 78.4 | 0 | 0 | 0 | 0 | 111.3 | E38 E39 W40 | C36-E38 PolarHBondContact O-N 2.89Å; C36-E38 PolarHBondContact SG-OE2 3.22Å; C36-E39 PolarHBondContact N-OE2 2.89Å; C36-E39 PolarHBondContact O-N 3.47Å; C36-E39 VanDerWaalsContact SG-CD 3.59Å; C36-E39 WeakPolarHBondContact SG-CG 3.42Å; C36-E39 PolarHBondContact SG-N 3.25Å; C36-W40 WeakPolarHBondContact O-CB 3.4Å; C36-W40 PolarHBondContact O-N 3.14Å | ||
| 37 | R | 57.1 | Low | 72.6 | Confident | 215 Ų | 215 | 85.2 Ų | 85.2 | 81% | 0.811 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63 | -35.6 | -178.2 | 175.2 | 174.1 | -72.4 | -145.1 | -3.7 | 111.6 | G41 | R37-G41 PolarHBondContact O-N 3.22Å |
| 38 | E | 62.2 | Low | 72.8 | Confident | 129 Ų | 129 | 86.2 Ų | 86.2 | 60% | 0.603 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -72.5 | -47.4 | -177.8 | -60.4 | 62.3 | -137.5 | 0 | 0 | 110.4 | C36 G41 C42 | C36-E38 PolarHBondContact O-N 2.89Å; C36-E38 PolarHBondContact SG-OE2 3.22Å; E38-G41 WeakPolarHBondContact O-CA 3.45Å; E38-G41 PolarHBondContact O-N 3.45Å; E38-G41 VanDerWaalsContact O-N 3.13Å; E38-C42 PolarHBondContact O-N 2.9Å; E38-C42 VanDerWaalsContact O-N 3.09Å; E38-C42 PolarHBondContact O-SG 3.48Å |
| 39 | E | 61.6 | Low | 72.8 | Confident | 101 Ų | 101 | 87.5 Ų | 87.5 | 47% | 0.472 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 174 | -73 | 167.5 | 157.2 | 0 | 0 | 112.1 | F35 C36 G41 C42 L43 | F35-E39 WeakPolarHBondContact CA-OE2 3.42Å; F35-E39 HydrophobicContact CB-CB 4.2Å; F35-E39 HydrophobicContact CD1-CB 3.95Å; C36-E39 PolarHBondContact N-OE2 2.89Å; C36-E39 PolarHBondContact O-N 3.47Å; C36-E39 VanDerWaalsContact SG-CD 3.59Å; C36-E39 WeakPolarHBondContact SG-CG 3.42Å; C36-E39 PolarHBondContact SG-N 3.25Å; E39-G41 PolarHBondContact O-N 3.43Å; E39-C42 WeakPolarHBondContact O-CB 3.36Å; E39-C42 PolarHBondContact O-N 2.9Å; E39-L43 PolarHBondContact O-N 3.39Å |
| 40 | W | 71.5 | Confident | 73.2 | Confident | 36 Ų | 36 | 89.8 Ų | 89.8 | 14% | 0.136 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -59.5 | -38.8 | 173.9 | -171.1 | -110.1 | 0 | 0 | 0 | 111.1 | F35 C36 C42 L43 R48 Y51 W77 | F35-W40 HydrophobicContact CB-CB 4.42Å; F35-W40 HydrophobicContact CB-CE3 4.39Å; F35-W40 AromaticContact CD2-CE3 3.92Å; F35-W40 HydrophobicContact CD2-CE3 3.92Å; F35-W40 HydrophobicContact CD2-CZ3 4.17Å; F35-W40 HydrophobicContact CG-CE3 4.44Å; C36-W40 WeakPolarHBondContact O-CB 3.4Å; C36-W40 PolarHBondContact O-N 3.14Å; W40-C42 VanDerWaalsContact C-N 3.3Å; W40-C42 PolarHBondContact O-N 3.45Å; W40-L43 HydrophobicContact CD2-CD1 4.49Å; W40-L43 HydrophobicContact CE3-CD1 3.62Å; W40-L43 HydrophobicContact CZ3-CD1 3.86Å; W40-L43 PolarHBondContact O-N 2.86Å; W40-R48 HydrophobicContact CD2-CG 4.28Å; W40-R48 HydrophobicContact CE3-CG 4.42Å; W40-R48 HydrophobicContact CH2-CB 3.76Å; W40-R48 HydrophobicContact CH2-CG 3.93Å; W40-R48 HydrophobicContact CZ2-CB 3.78Å; W40-R48 HydrophobicContact CZ2-CG 3.78Å; W40-R48 HydrophobicContact CZ3-CB 4.43Å; W40-R48 HydrophobicContact CZ3-CG 4.25Å; W40-R48 VanDerWaalsContact O-CZ 3.26Å; W40-R48 PolarHBondContact O-NE 3.39Å; W40-R48 PolarHBondContact O-NH2 3.16Å; W40-Y51 AromaticContact CH2-CD1 3.49Å; W40-Y51 HydrophobicContact CH2-CD1 3.49Å; W40-Y51 VanDerWaalsContact CH2-CD1 3.49Å; W40-Y51 AromaticContact CH2-CE1 3.84Å; W40-Y51 HydrophobicContact CH2-CE1 3.84Å; W40-Y51 HydrophobicContact CH2-CG 4.33Å; W40-Y51 AromaticContact CZ3-CD1 3.38Å; W40-Y51 HydrophobicContact CZ3-CD1 3.38Å; W40-Y51 AromaticContact CZ3-CE1 3.59Å; W40-Y51 HydrophobicContact CZ3-CE1 3.59Å; W40-Y51 AromaticContact CZ3-CG 3.92Å; W40-Y51 HydrophobicContact CZ3-CG 3.92Å; W40-W77 HydrophobicContact CD2-CH2 4.33Å; W40-W77 AromaticContact CE2-CH2 3.71Å; W40-W77 HydrophobicContact CH2-CH2 4.44Å; W40-W77 AromaticContact CZ2-CH2 3.77Å; W40-W77 HydrophobicContact CZ2-CH2 3.77Å; W40-W77 HydrophobicContact CZ2-CZ3 4.33Å; W40-W77 AromaticContact NE1-CH2 3.81Å |
| 41 | G | 62.3 | Low | 73.5 | Confident | 47 Ų | 47 | 85.4 Ų | 85.4 | 49% | 0.485 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -55.3 | -40.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R37 E38 E39 R48 | R37-G41 PolarHBondContact O-N 3.22Å; E38-G41 WeakPolarHBondContact O-CA 3.45Å; E38-G41 PolarHBondContact O-N 3.45Å; E38-G41 VanDerWaalsContact O-N 3.13Å; E39-G41 PolarHBondContact O-N 3.43Å; G41-R48 PolarHBondContact O-NH2 3.31Å |
| 42 | C | 75.6 | Confident | 73.6 | Confident | 110 Ų | 110 | 83.9 Ų | 83.9 | 74% | 0.743 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -74.3 | -18.6 | 178.1 | -64.4 | 0 | 0 | 0 | 0 | 115 | E38 E39 W40 | E38-C42 PolarHBondContact O-N 2.9Å; E38-C42 VanDerWaalsContact O-N 3.09Å; E38-C42 PolarHBondContact O-SG 3.48Å; E39-C42 WeakPolarHBondContact O-CB 3.36Å; E39-C42 PolarHBondContact O-N 2.9Å; W40-C42 VanDerWaalsContact C-N 3.3Å; W40-C42 PolarHBondContact O-N 3.45Å |
| 43 | L | 72.8 | Confident | 73.7 | Confident | 28 Ų | 28 | 87.7 Ų | 87.7 | 15% | 0.147 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -72.3 | 133.6 | 178.3 | -64.8 | -179.1 | 0 | 0 | 0 | 112.2 | F35 E39 W40 Q47 R48 | F35-L43 HydrophobicContact CD2-CD1 4.03Å; F35-L43 HydrophobicContact CE2-CD1 3.81Å; F35-L43 HydrophobicContact CG-CD1 4.48Å; F35-L43 HydrophobicContact CZ-CD1 4.07Å; E39-L43 PolarHBondContact O-N 3.39Å; W40-L43 HydrophobicContact CD2-CD1 4.49Å; W40-L43 HydrophobicContact CE3-CD1 3.62Å; W40-L43 HydrophobicContact CZ3-CD1 3.86Å; W40-L43 PolarHBondContact O-N 2.86Å; L43-Q47 HydrophobicContact CB-CB 4.32Å; L43-Q47 HydrophobicContact CD2-CB 4.35Å; L43-R48 HydrophobicContact CB-CG 3.72Å; L43-R48 HydrophobicContact CD1-CG 4.34Å; L43-R48 PolarHBondContact O-NE 3.46Å; L43-R48 PolarHBondContact O-NH2 2.03Å; L43-R48 VanDerWaalsContact O-NH2 3.09Å |
| 44 | R | 77.6 | Confident | 73.9 | Confident | 188 Ų | 188 | 86.8 Ų | 86.8 | 71% | 0.709 | 45% | 0.445 | S | S | * | . | trans | -67.2 | 154.1 | 171.8 | -61.1 | 178.3 | -179.7 | -156.9 | -2.8 | 110.7 | A46 Q47 R48 | R44-A46 VanDerWaalsContact C-N 3.31Å; R44-A46 PolarHBondContact O-N 3.13Å; R44-Q47 HydrophobicContact CB-CG 4.34Å; R44-Q47 WeakPolarHBondContact O-CA 3.49Å; R44-Q47 WeakPolarHBondContact O-CB 3.49Å; R44-Q47 PolarHBondContact O-N 2.91Å; R44-R48 PolarHBondContact O-N 3.11Å; R44-R48 VanDerWaalsContact O-N 3.08Å | ||
| 45 | P | 77.9 | Confident | 74.3 | Confident | 104 Ų | 104 | 81 Ų | 81 | 68% | 0.675 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -50.4 | -45.3 | -179.1 | -30.2 | 36.1 | 0 | 0 | 0 | 114.4 | Q47 R48 A49 | P45-Q47 VanDerWaalsContact C-N 3.27Å; P45-Q47 PolarHBondContact O-N 3.04Å; P45-R48 PolarHBondContact O-N 3.4Å; P45-A49 PolarHBondContact O-N 2.96Å |
| 46 | A | 72.4 | Confident | 74.5 | Confident | 79 Ų | 79 | 82.2 Ų | 82.2 | 65% | 0.653 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.4 | -23.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R44 L50 | R44-A46 VanDerWaalsContact C-N 3.31Å; R44-A46 PolarHBondContact O-N 3.13Å; A46-L50 WeakPolarHBondContact O-CB 3.03Å; A46-L50 PolarHBondContact O-N 2.68Å |
| 47 | Q | 76.4 | Confident | 75.4 | Confident | 92 Ų | 92 | 85.1 Ų | 85.1 | 43% | 0.43 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -80.4 | -36.9 | 173.7 | -63.5 | 174.8 | -93.9 | 0 | 0 | 111.4 | L43 R44 P45 Y51 | L43-Q47 HydrophobicContact CB-CB 4.32Å; L43-Q47 HydrophobicContact CD2-CB 4.35Å; R44-Q47 HydrophobicContact CB-CG 4.34Å; R44-Q47 WeakPolarHBondContact O-CA 3.49Å; R44-Q47 WeakPolarHBondContact O-CB 3.49Å; R44-Q47 PolarHBondContact O-N 2.91Å; P45-Q47 VanDerWaalsContact C-N 3.27Å; P45-Q47 PolarHBondContact O-N 3.04Å; Q47-Y51 WeakPolarHBondContact O-CB 3.4Å; Q47-Y51 PolarHBondContact O-N 3.27Å |
| 48 | R | 80.4 | Confident | 76.5 | Confident | 67 Ų | 67 | 76.3 Ų | 76.3 | 25% | 0.253 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 172.2 | -63.6 | -177.3 | -173.1 | 142.4 | 7 | 111 | W40 G41 L43 R44 P45 Y51 R52 | W40-R48 HydrophobicContact CD2-CG 4.28Å; W40-R48 HydrophobicContact CE3-CG 4.42Å; W40-R48 HydrophobicContact CH2-CB 3.76Å; W40-R48 HydrophobicContact CH2-CG 3.93Å; W40-R48 HydrophobicContact CZ2-CB 3.78Å; W40-R48 HydrophobicContact CZ2-CG 3.78Å; W40-R48 HydrophobicContact CZ3-CB 4.43Å; W40-R48 HydrophobicContact CZ3-CG 4.25Å; W40-R48 VanDerWaalsContact O-CZ 3.26Å; W40-R48 PolarHBondContact O-NE 3.39Å; W40-R48 PolarHBondContact O-NH2 3.16Å; G41-R48 PolarHBondContact O-NH2 3.31Å; L43-R48 HydrophobicContact CB-CG 3.72Å; L43-R48 HydrophobicContact CD1-CG 4.34Å; L43-R48 PolarHBondContact O-NE 3.46Å; L43-R48 PolarHBondContact O-NH2 2.03Å; L43-R48 VanDerWaalsContact O-NH2 3.09Å; R44-R48 PolarHBondContact O-N 3.11Å; R44-R48 VanDerWaalsContact O-N 3.08Å; P45-R48 PolarHBondContact O-N 3.4Å; R48-Y51 PolarHBondContact O-N 3.48Å; R48-R52 WeakPolarHBondContact O-CG 3.47Å; R48-R52 PolarHBondContact O-N 3.32Å |
| 49 | A | 76.8 | Confident | 77.4 | Confident | 41 Ų | 41 | 72.2 Ų | 72.2 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.7 | -56.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P45 Y51 R52 D53 | P45-A49 PolarHBondContact O-N 2.96Å; A49-Y51 PolarHBondContact O-N 3.08Å; A49-Y51 VanDerWaalsContact O-N 3.17Å; A49-R52 WeakPolarHBondContact O-CA 3.46Å; A49-R52 WeakPolarHBondContact O-CB 3.44Å; A49-R52 PolarHBondContact O-N 3.32Å; A49-D53 VanDerWaalsContact O-CG 3.31Å; A49-D53 PolarHBondContact O-N 3.24Å |
| 50 | L | 82.4 | Confident | 78.2 | Confident | 109 Ų | 109 | 69.1 Ų | 69.1 | 57% | 0.571 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -55.9 | -36.9 | 178.7 | 179.5 | 62.8 | 0 | 0 | 0 | 113.1 | A46 V54 | A46-L50 WeakPolarHBondContact O-CB 3.03Å; A46-L50 PolarHBondContact O-N 2.68Å; L50-V54 HydrophobicContact CD1-CG2 4.21Å; L50-V54 WeakPolarHBondContact O-CB 3.45Å; L50-V54 VanDerWaalsContact O-CG2 3.27Å; L50-V54 WeakPolarHBondContact O-CG2 3.28Å; L50-V54 PolarHBondContact O-N 2.88Å |
| 51 | Y | 84.3 | Confident | 78.7 | Confident | 24 Ų | 24 | 72.8 Ų | 72.8 | 9% | 0.094 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | 173.4 | 166.1 | -87.5 | 0 | 0 | 0 | 112.4 | V33 F35 W40 Q47 R48 A49 D53 V54 M55 V78 | V33-Y51 HydrophobicContact CB-CE2 4.5Å; V33-Y51 WeakPolarHBondContact O-CE2 3.39Å; V33-Y51 PolarHBondContact O-OH 3.18Å; F35-Y51 HydrophobicContact CD2-CD2 4.11Å; F35-Y51 AromaticContact CD2-CE2 3.78Å; F35-Y51 HydrophobicContact CD2-CE2 3.78Å; F35-Y51 AromaticContact CE2-CD2 3.58Å; F35-Y51 HydrophobicContact CE2-CD2 3.58Å; F35-Y51 AromaticContact CE2-CE2 3.64Å; F35-Y51 HydrophobicContact CE2-CE2 3.64Å; F35-Y51 HydrophobicContact CE2-CG 4.31Å; W40-Y51 AromaticContact CH2-CD1 3.49Å; W40-Y51 HydrophobicContact CH2-CD1 3.49Å; W40-Y51 VanDerWaalsContact CH2-CD1 3.49Å; W40-Y51 AromaticContact CH2-CE1 3.84Å; W40-Y51 HydrophobicContact CH2-CE1 3.84Å; W40-Y51 HydrophobicContact CH2-CG 4.33Å; W40-Y51 AromaticContact CZ3-CD1 3.38Å; W40-Y51 HydrophobicContact CZ3-CD1 3.38Å; W40-Y51 AromaticContact CZ3-CE1 3.59Å; W40-Y51 HydrophobicContact CZ3-CE1 3.59Å; W40-Y51 AromaticContact CZ3-CG 3.92Å; W40-Y51 HydrophobicContact CZ3-CG 3.92Å; Q47-Y51 WeakPolarHBondContact O-CB 3.4Å; Q47-Y51 PolarHBondContact O-N 3.27Å; R48-Y51 PolarHBondContact O-N 3.48Å; A49-Y51 PolarHBondContact O-N 3.08Å; A49-Y51 VanDerWaalsContact O-N 3.17Å; Y51-D53 VanDerWaalsContact C-N 3.29Å; Y51-D53 PolarHBondContact O-N 2.96Å; Y51-V54 PolarHBondContact O-N 3.37Å; Y51-M55 HydrophobicContact CD1-CG 4.3Å; Y51-M55 HydrophobicContact CD2-CE 4.22Å; Y51-M55 HydrophobicContact CD2-CG 4.05Å; Y51-M55 HydrophobicContact CE1-CG 4.03Å; Y51-M55 HydrophobicContact CE2-CE 3.98Å; Y51-M55 HydrophobicContact CE2-CG 3.78Å; Y51-M55 HydrophobicContact CE2-SD 4.28Å; Y51-M55 HydrophobicContact CG-CG 4.34Å; Y51-M55 WeakPolarHBondContact O-CB 3.46Å; Y51-M55 VanDerWaalsContact O-CG 3.28Å; Y51-M55 WeakPolarHBondContact O-CG 3.28Å; Y51-M55 PolarHBondContact O-N 3.14Å; Y51-V78 HydrophobicContact CE1-CG2 4.43Å |
| 52 | R | 81.9 | Confident | 79.5 | Confident | 35 Ų | 35 | 71.4 Ų | 71.4 | 13% | 0.132 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.7 | -42 | 176.3 | -72.8 | -173.4 | -165.9 | 146.8 | 3.4 | 110.9 | R48 A49 R56 V78 E81 | R48-R52 WeakPolarHBondContact O-CG 3.47Å; R48-R52 PolarHBondContact O-N 3.32Å; A49-R52 WeakPolarHBondContact O-CA 3.46Å; A49-R52 WeakPolarHBondContact O-CB 3.44Å; A49-R52 PolarHBondContact O-N 3.32Å; R52-R56 VanDerWaalsContact O-CB 3.29Å; R52-R56 WeakPolarHBondContact O-CB 3.34Å; R52-R56 PolarHBondContact O-N 3.44Å; R52-V78 HydrophobicContact CB-CG1 3.85Å; R52-V78 HydrophobicContact CG-CG1 4.07Å; R52-V78 HydrophobicContact CG-CG2 4.26Å; R52-V78 WeakPolarHBondContact O-CG1 3.25Å; R52-E81 IonicContact CZ-OE2 3.54Å; R52-E81 VanDerWaalsContact CZ-OE2 3.29Å; R52-E81 IonicContact NE-OE2 2.64Å; R52-E81 PolarHBondContact NE-OE2 2.78Å; R52-E81 PolarHBondContact NH1-O 3.26Å; R52-E81 IonicContact NH2-OE1 3.47Å; R52-E81 IonicContact NH2-OE2 3.76Å; R52-E81 PolarHBondContact NH2-OE2 2.94Å |
| 53 | D | 79.6 | Confident | 79.5 | Confident | 93 Ų | 93 | 68.4 Ų | 68.4 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -51.8 | 177.1 | -60.4 | -31.8 | 0 | 0 | 0 | 111.3 | A49 Y51 M55 R56 E57 | A49-D53 VanDerWaalsContact O-CG 3.31Å; A49-D53 PolarHBondContact O-N 3.24Å; Y51-D53 VanDerWaalsContact C-N 3.29Å; Y51-D53 PolarHBondContact O-N 2.96Å; D53-M55 PolarHBondContact O-N 3.08Å; D53-R56 WeakPolarHBondContact O-CB 3.28Å; D53-R56 PolarHBondContact O-N 3.14Å; D53-E57 WeakPolarHBondContact O-CB 3.24Å; D53-E57 PolarHBondContact O-N 3.38Å |
| 54 | V | 85 | Confident | 79.7 | Confident | 61 Ų | 61 | 71.3 Ų | 71.3 | 37% | 0.37 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | -179.6 | 168.9 | 0 | 0 | 0 | 0 | 112.5 | L50 Y51 E57 T58 | L50-V54 HydrophobicContact CD1-CG2 4.21Å; L50-V54 WeakPolarHBondContact O-CB 3.45Å; L50-V54 VanDerWaalsContact O-CG2 3.27Å; L50-V54 WeakPolarHBondContact O-CG2 3.28Å; L50-V54 PolarHBondContact O-N 2.88Å; Y51-V54 PolarHBondContact O-N 3.37Å; V54-E57 PolarHBondContact O-N 3.2Å; V54-T58 VanDerWaalsContact O-CB 3.24Å; V54-T58 WeakPolarHBondContact O-CB 3.35Å; V54-T58 PolarHBondContact O-N 3.07Å; V54-T58 PolarHBondContact O-OG1 2.84Å |
| 55 | M | 84.9 | Confident | 79.6 | Confident | 9 Ų | 9 | 68.3 Ų | 68.3 | 4% | 0.044 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67 | -39.3 | 176.6 | -70.4 | -63.8 | 132.7 | 0 | 0 | 111.5 | F28 A32 V33 Y51 D53 Y59 I75 | F28-M55 HydrophobicContact CZ-SD 4.27Å; A32-M55 HydrophobicContact CB-SD 4.34Å; V33-M55 HydrophobicContact CB-CE 3.95Å; V33-M55 HydrophobicContact CG2-CE 4.2Å; Y51-M55 HydrophobicContact CD1-CG 4.3Å; Y51-M55 HydrophobicContact CD2-CE 4.22Å; Y51-M55 HydrophobicContact CD2-CG 4.05Å; Y51-M55 HydrophobicContact CE1-CG 4.03Å; Y51-M55 HydrophobicContact CE2-CE 3.98Å; Y51-M55 HydrophobicContact CE2-CG 3.78Å; Y51-M55 HydrophobicContact CE2-SD 4.28Å; Y51-M55 HydrophobicContact CG-CG 4.34Å; Y51-M55 WeakPolarHBondContact O-CB 3.46Å; Y51-M55 VanDerWaalsContact O-CG 3.28Å; Y51-M55 WeakPolarHBondContact O-CG 3.28Å; Y51-M55 PolarHBondContact O-N 3.14Å; D53-M55 PolarHBondContact O-N 3.08Å; M55-Y59 WeakPolarHBondContact O-CB 3.44Å; M55-Y59 PolarHBondContact O-N 2.79Å; M55-I75 HydrophobicContact CB-CD1 4.19Å; M55-I75 WeakPolarHBondContact O-CD1 3.4Å |
| 56 | R | 78.4 | Confident | 79 | Confident | 104 Ų | 104 | 66.7 Ų | 66.7 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.8 | -46 | 174.1 | -174.8 | -172.9 | -58.2 | -138 | -5.7 | 111.9 | R52 D53 Y59 G60 V78 | R52-R56 VanDerWaalsContact O-CB 3.29Å; R52-R56 WeakPolarHBondContact O-CB 3.34Å; R52-R56 PolarHBondContact O-N 3.44Å; D53-R56 WeakPolarHBondContact O-CB 3.28Å; D53-R56 PolarHBondContact O-N 3.14Å; R56-Y59 PolarHBondContact O-N 2.83Å; R56-G60 PolarHBondContact O-N 3.41Å; R56-V78 PolarHBondContact NH2-O 3.12Å |
| 57 | E | 82.4 | Confident | 78.6 | Confident | 116 Ų | 116 | 65.9 Ų | 65.9 | 54% | 0.542 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 177 | -177.3 | 178.2 | -175.7 | 0 | 0 | 111.3 | D53 V54 G60 H61 | D53-E57 WeakPolarHBondContact O-CB 3.24Å; D53-E57 PolarHBondContact O-N 3.38Å; V54-E57 PolarHBondContact O-N 3.2Å; E57-G60 PolarHBondContact O-N 2.99Å; E57-H61 VanDerWaalsContact CG-CE1 3.42Å; E57-H61 WeakPolarHBondContact CG-CE1 3.23Å; E57-H61 PolarHBondContact O-N 2.72Å; E57-H61 PolarHBondContact O-ND1 3.43Å; E57-H61 IonicContact OE1-CE1 3.8Å; E57-H61 PolarHBondContact OE1-CE1 3.26Å |
| 58 | T | 80.9 | Confident | 77.7 | Confident | 30 Ų | 30 | 62.9 Ų | 62.9 | 18% | 0.184 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 177.1 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | F28 V31 V54 H61 L62 | F28-T58 HydrophobicContact CD2-CG2 4.47Å; F28-T58 HydrophobicContact CE2-CG2 4.3Å; V31-T58 HydrophobicContact CB-CG2 4.16Å; V31-T58 HydrophobicContact CG1-CG2 3.68Å; V54-T58 VanDerWaalsContact O-CB 3.24Å; V54-T58 WeakPolarHBondContact O-CB 3.35Å; V54-T58 PolarHBondContact O-N 3.07Å; V54-T58 PolarHBondContact O-OG1 2.84Å; T58-H61 PolarHBondContact O-N 2.87Å; T58-L62 HydrophobicContact CG2-CD1 4.27Å; T58-L62 WeakPolarHBondContact O-CG 3.3Å; T58-L62 PolarHBondContact O-N 3.03Å; T58-L62 VanDerWaalsContact O-N 3.07Å |
| 59 | Y | 80.1 | Confident | 76.8 | Confident | 42 Ų | 42 | 62.6 Ų | 62.6 | 17% | 0.165 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64 | -40 | 173.2 | 179.3 | -104.7 | 0 | 0 | 0 | 112.2 | F28 M55 R56 L62 S63 K71 P72 I75 | F28-Y59 HydrophobicContact CD2-CD2 4.01Å; F28-Y59 HydrophobicContact CD2-CG 4.49Å; F28-Y59 HydrophobicContact CE2-CD2 4.46Å; F28-Y59 HydrophobicContact CG-CD2 4.34Å; M55-Y59 WeakPolarHBondContact O-CB 3.44Å; M55-Y59 PolarHBondContact O-N 2.79Å; R56-Y59 PolarHBondContact O-N 2.83Å; Y59-L62 PolarHBondContact O-N 3.38Å; Y59-S63 WeakPolarHBondContact CE1-OG 3.44Å; Y59-S63 VanDerWaalsContact O-CB 3.28Å; Y59-S63 WeakPolarHBondContact O-CB 3.37Å; Y59-S63 PolarHBondContact O-N 3Å; Y59-S63 PolarHBondContact O-OG 2.84Å; Y59-K71 WeakPolarHBondContact OH-CA 3.39Å; Y59-P72 HydrophobicContact CD2-CG 4.25Å; Y59-P72 HydrophobicContact CE2-CG 4.15Å; Y59-I75 HydrophobicContact CD1-CG1 4.49Å; Y59-I75 HydrophobicContact CD1-CG2 3.8Å; Y59-I75 HydrophobicContact CD2-CG1 4.07Å; Y59-I75 HydrophobicContact CE1-CG2 4.16Å; Y59-I75 HydrophobicContact CG-CD1 4.24Å; Y59-I75 HydrophobicContact CG-CG1 3.89Å; Y59-I75 HydrophobicContact CG-CG2 4.06Å |
| 60 | G | 79.9 | Confident | 76 | Confident | 36 Ų | 36 | 68.5 Ų | 68.5 | 37% | 0.371 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R56 E57 S63 A64 | R56-G60 PolarHBondContact O-N 3.41Å; E57-G60 PolarHBondContact O-N 2.99Å; G60-S63 PolarHBondContact O-N 3.35Å; G60-A64 WeakPolarHBondContact O-CB 3.5Å; G60-A64 PolarHBondContact O-N 3.26Å |
| 61 | H | 81.9 | Confident | 75.2 | Confident | 113 Ų | 113 | 67.7 Ų | 67.7 | 52% | 0.523 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 176.5 | -69.4 | 139.3 | 0 | 0 | 0 | 112.8 | E57 T58 S63 A64 L65 | E57-H61 VanDerWaalsContact CG-CE1 3.42Å; E57-H61 WeakPolarHBondContact CG-CE1 3.23Å; E57-H61 PolarHBondContact O-N 2.72Å; E57-H61 PolarHBondContact O-ND1 3.43Å; E57-H61 IonicContact OE1-CE1 3.8Å; E57-H61 PolarHBondContact OE1-CE1 3.26Å; T58-H61 PolarHBondContact O-N 2.87Å; H61-S63 VanDerWaalsContact C-N 3.34Å; H61-S63 PolarHBondContact O-N 2.94Å; H61-A64 PolarHBondContact O-N 2.72Å; H61-L65 WeakPolarHBondContact O-CG 3.45Å; H61-L65 PolarHBondContact O-N 2.83Å; H61-L65 VanDerWaalsContact O-N 3.15Å |
| 62 | L | 77.6 | Confident | 74.7 | Confident | 19 Ų | 19 | 68 Ų | 68 | 10% | 0.099 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.1 | -33.4 | 177.5 | -68.1 | 171.7 | 0 | 0 | 0 | 112.4 | F28 V31 T58 Y59 L65 I67 G68 | F28-L62 HydrophobicContact CB-CD1 4.12Å; F28-L62 HydrophobicContact CD2-CD1 4.15Å; V31-L62 HydrophobicContact CG2-CD1 4.34Å; T58-L62 HydrophobicContact CG2-CD1 4.27Å; T58-L62 WeakPolarHBondContact O-CG 3.3Å; T58-L62 PolarHBondContact O-N 3.03Å; T58-L62 VanDerWaalsContact O-N 3.07Å; Y59-L62 PolarHBondContact O-N 3.38Å; L62-L65 PolarHBondContact O-N 3.13Å; L62-I67 HydrophobicContact CD2-CG2 4.06Å; L62-I67 WeakPolarHBondContact O-CA 3.49Å; L62-I67 WeakPolarHBondContact O-CB 3.35Å; L62-I67 PolarHBondContact O-N 3.34Å; L62-G68 PolarHBondContact O-N 3.17Å |
| 63 | S | 76.6 | Confident | 73.9 | Confident | 46 Ų | 46 | 70.4 Ų | 70.4 | 32% | 0.322 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.3 | -43.5 | 173.1 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | Y59 G60 H61 L65 G66 | Y59-S63 WeakPolarHBondContact CE1-OG 3.44Å; Y59-S63 VanDerWaalsContact O-CB 3.28Å; Y59-S63 WeakPolarHBondContact O-CB 3.37Å; Y59-S63 PolarHBondContact O-N 3Å; Y59-S63 PolarHBondContact O-OG 2.84Å; G60-S63 PolarHBondContact O-N 3.35Å; H61-S63 VanDerWaalsContact C-N 3.34Å; H61-S63 PolarHBondContact O-N 2.94Å; S63-L65 PolarHBondContact O-N 3.2Å; S63-G66 PolarHBondContact O-N 3.39Å |
| 64 | A | 76.2 | Confident | 73.5 | Confident | 90 Ų | 90 | 67.2 Ų | 67.2 | 74% | 0.744 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -65.1 | -24.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G60 H61 G66 | G60-A64 WeakPolarHBondContact O-CB 3.5Å; G60-A64 PolarHBondContact O-N 3.26Å; H61-A64 PolarHBondContact O-N 2.72Å; A64-G66 VanDerWaalsContact C-N 3.3Å |
| 65 | L | 76.6 | Confident | 73 | Confident | 124 Ų | 124 | 64.3 Ų | 64.3 | 65% | 0.649 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -1.3 | 172.7 | -68 | 170.1 | 0 | 0 | 0 | 113.7 | H61 L62 S63 I67 | H61-L65 WeakPolarHBondContact O-CG 3.45Å; H61-L65 PolarHBondContact O-N 2.83Å; H61-L65 VanDerWaalsContact O-N 3.15Å; L62-L65 PolarHBondContact O-N 3.13Å; S63-L65 PolarHBondContact O-N 3.2Å; L65-I67 HydrophobicContact CB-CB 4.37Å; L65-I67 HydrophobicContact CB-CD1 3.83Å; L65-I67 HydrophobicContact CB-CG1 4.08Å; L65-I67 HydrophobicContact CD1-CD1 4.37Å; L65-I67 PolarHBondContact O-N 3.46Å |
| 66 | G | 64.4 | Low | 72.4 | Confident | 71 Ų | 71 | 66.5 Ų | 66.5 | 73% | 0.732 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 16.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | S63 A64 | S63-G66 PolarHBondContact O-N 3.39Å; A64-G66 VanDerWaalsContact C-N 3.3Å |
| 67 | I | 63.5 | Low | 71.8 | Confident | 61 Ų | 61 | 66 Ų | 66 | 31% | 0.313 | 41% | 0.411 | S | S | . | . | trans | -100.3 | -18.2 | -173.2 | -71.2 | 174 | 0 | 0 | 0 | 111.7 | I25 V26 L62 L65 G69 | I25-I67 HydrophobicContact CG2-CB 4.35Å; I25-I67 HydrophobicContact CG2-CD1 4.49Å; I25-I67 HydrophobicContact CG2-CG1 4.04Å; I25-I67 HydrophobicContact CG2-CG2 3.73Å; V26-I67 WeakPolarHBondContact O-CG2 3.39Å; L62-I67 HydrophobicContact CD2-CG2 4.06Å; L62-I67 WeakPolarHBondContact O-CA 3.49Å; L62-I67 WeakPolarHBondContact O-CB 3.35Å; L62-I67 PolarHBondContact O-N 3.34Å; L65-I67 HydrophobicContact CB-CB 4.37Å; L65-I67 HydrophobicContact CB-CD1 3.83Å; L65-I67 HydrophobicContact CB-CG1 4.08Å; L65-I67 HydrophobicContact CD1-CD1 4.37Å; L65-I67 PolarHBondContact O-N 3.46Å; I67-G69 PolarHBondContact O-N 2.9Å | ||
| 68 | G | 57 | Low | 71.1 | Confident | 29 Ų | 29 | 60.5 Ų | 60.5 | 30% | 0.299 | 39% | 0.386 | S | S | . | . | trans | -73.4 | 118.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L62 | L62-G68 PolarHBondContact O-N 3.17Š| ||
| 69 | G | 63 | Low | 70.3 | Confident | 61 Ų | 61 | 61.6 Ų | 61.6 | 63% | 0.629 | 39% | 0.389 | S | S | * | . | trans | -78.4 | -149.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I67 K71 | I67-G69 PolarHBondContact O-N 2.9Å; G69-K71 PolarHBondContact O-N 2.85Å | ||
| 70 | N | 59.4 | Low | 69.4 | Low | 165 Ų | 165 | 65.5 Ų | 65.5 | 88% | 0.882 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -53.8 | 136.4 | 175.8 | -72.7 | -15.6 | 0 | 0 | 0 | 112 | P72 | N70-P72 WeakPolarHBondContact O-CD 3.24Š|
| 71 | K | 66.3 | Low | 68.3 | Low | 92 Ų | 92 | 66.1 Ų | 66.1 | 40% | 0.4 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -48 | 118 | -178.8 | -173.8 | -176.1 | -175 | -175 | 0 | 111.4 | Y59 G69 I75 E79 | Y59-K71 WeakPolarHBondContact OH-CA 3.39Å; G69-K71 PolarHBondContact O-N 2.85Å; K71-I75 HydrophobicContact CG-CB 4.36Å; K71-I75 HydrophobicContact CG-CG2 4.05Å; K71-E79 VanDerWaalsContact CE-CD 3.46Å; K71-E79 WeakPolarHBondContact CE-OE1 3.2Å; K71-E79 VanDerWaalsContact CE-OE2 3.31Å; K71-E79 WeakPolarHBondContact CE-OE2 3.47Å; K71-E79 VanDerWaalsContact NZ-CD 3.28Å; K71-E79 IonicContact NZ-OE1 3.76Å; K71-E79 IonicContact NZ-OE2 3.47Å; K71-E79 PolarHBondContact NZ-OE2 2.97Å |
| 72 | P | 72.5 | Confident | 66.9 | Low | 30 Ų | 30 | 62.1 Ų | 62.1 | 20% | 0.195 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 143.3 | 179.9 | -24.7 | 33 | 0 | 0 | 0 | 112.1 | F28 Y59 N70 L74 I75 S76 | F28-P72 HydrophobicContact CB-CG 4.3Å; F28-P72 HydrophobicContact CD1-CB 3.99Å; F28-P72 HydrophobicContact CD1-CG 3.5Å; F28-P72 HydrophobicContact CE1-CB 4.15Å; F28-P72 HydrophobicContact CE1-CG 4.04Å; F28-P72 HydrophobicContact CG-CG 3.98Å; Y59-P72 HydrophobicContact CD2-CG 4.25Å; Y59-P72 HydrophobicContact CE2-CG 4.15Å; N70-P72 WeakPolarHBondContact O-CD 3.24Å; P72-L74 PolarHBondContact O-N 2.88Å; P72-L74 VanDerWaalsContact O-N 3.17Å; P72-I75 HydrophobicContact CB-CB 4.42Å; P72-I75 HydrophobicContact CB-CG1 4.24Å; P72-I75 HydrophobicContact CG-CG1 4.23Å; P72-I75 WeakPolarHBondContact O-CA 3.39Å; P72-I75 PolarHBondContact O-N 2.88Å; P72-S76 PolarHBondContact O-N 2.88Å |
| 73 | A | 65.9 | Low | 65.2 | Low | 87 Ų | 87 | 68.9 Ų | 68.9 | 72% | 0.719 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -56.1 | -34.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | I75 S76 W77 | A73-I75 VanDerWaalsContact C-N 3.34Å; A73-I75 PolarHBondContact O-N 3.19Å; A73-S76 PolarHBondContact O-N 3.27Å; A73-W77 PolarHBondContact O-N 3.46Å |
| 74 | L | 71.8 | Confident | 63.2 | Low | 26 Ų | 26 | 72.6 Ų | 72.6 | 14% | 0.136 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.1 | -42.9 | 172.5 | -177.5 | 67.9 | 0 | 0 | 0 | 112.1 | F28 A32 Y34 P72 W77 V78 | F28-L74 HydrophobicContact CE1-CD2 4.21Å; F28-L74 HydrophobicContact CZ-CD2 4.47Å; A32-L74 HydrophobicContact CB-CD2 4.43Å; Y34-L74 HydrophobicContact CD1-CD2 4.16Å; Y34-L74 HydrophobicContact CE1-CD2 3.82Å; P72-L74 PolarHBondContact O-N 2.88Å; P72-L74 VanDerWaalsContact O-N 3.17Å; L74-W77 HydrophobicContact CD1-CE3 3.99Å; L74-W77 HydrophobicContact CD1-CZ3 4.25Å; L74-W77 PolarHBondContact O-N 3.36Å; L74-V78 HydrophobicContact CD1-CG2 4.49Å; L74-V78 HydrophobicContact CG-CG2 4.44Å; L74-V78 VanDerWaalsContact O-CB 3.29Å; L74-V78 WeakPolarHBondContact O-CB 3.21Å; L74-V78 WeakPolarHBondContact O-CG2 3.36Å; L74-V78 PolarHBondContact O-N 3.04Å |
| 75 | I | 74.8 | Confident | 61.6 | Low | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -72.1 | -35.2 | 179.1 | -66.7 | -62 | 0 | 0 | 0 | 111.2 | F28 M55 Y59 K71 P72 A73 V78 E79 | F28-I75 HydrophobicContact CE1-CD1 4.29Å; F28-I75 HydrophobicContact CE1-CG1 3.94Å; F28-I75 HydrophobicContact CE2-CD1 3.91Å; F28-I75 HydrophobicContact CE2-CG1 4.12Å; F28-I75 HydrophobicContact CZ-CD1 3.52Å; F28-I75 HydrophobicContact CZ-CG1 3.65Å; M55-I75 HydrophobicContact CB-CD1 4.19Å; M55-I75 WeakPolarHBondContact O-CD1 3.4Å; Y59-I75 HydrophobicContact CD1-CG1 4.49Å; Y59-I75 HydrophobicContact CD1-CG2 3.8Å; Y59-I75 HydrophobicContact CD2-CG1 4.07Å; Y59-I75 HydrophobicContact CE1-CG2 4.16Å; Y59-I75 HydrophobicContact CG-CD1 4.24Å; Y59-I75 HydrophobicContact CG-CG1 3.89Å; Y59-I75 HydrophobicContact CG-CG2 4.06Å; K71-I75 HydrophobicContact CG-CB 4.36Å; K71-I75 HydrophobicContact CG-CG2 4.05Å; P72-I75 HydrophobicContact CB-CB 4.42Å; P72-I75 HydrophobicContact CB-CG1 4.24Å; P72-I75 HydrophobicContact CG-CG1 4.23Å; P72-I75 WeakPolarHBondContact O-CA 3.39Å; P72-I75 PolarHBondContact O-N 2.88Å; A73-I75 VanDerWaalsContact C-N 3.34Å; A73-I75 PolarHBondContact O-N 3.19Å; I75-V78 PolarHBondContact O-N 3.21Å; I75-E79 WeakPolarHBondContact CG2-OE1 3.3Å; I75-E79 WeakPolarHBondContact O-CB 3.36Å; I75-E79 WeakPolarHBondContact O-CG 3.09Å; I75-E79 PolarHBondContact O-N 2.83Å |
| 76 | S | 70.4 | Confident | 59.6 | Low | 55 Ų | 55 | 73.1 Ų | 73.1 | 39% | 0.385 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59 | -48.7 | 170.8 | -155.1 | 0 | 0 | 0 | 0 | 111.7 | P72 A73 E79 E80 | P72-S76 PolarHBondContact O-N 2.88Å; A73-S76 PolarHBondContact O-N 3.27Å; S76-E79 PolarHBondContact O-N 3.46Å; S76-E80 WeakPolarHBondContact O-CB 3.5Å; S76-E80 PolarHBondContact O-N 3.31Å |
| 77 | W | 66.8 | Low | 58.2 | Low | 93 Ų | 93 | 76.9 Ų | 76.9 | 35% | 0.352 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 177.4 | 177.5 | 67.7 | 0 | 0 | 0 | 113.1 | W40 A73 L74 E79 E80 E81 | W40-W77 HydrophobicContact CD2-CH2 4.33Å; W40-W77 AromaticContact CE2-CH2 3.71Å; W40-W77 HydrophobicContact CH2-CH2 4.44Å; W40-W77 AromaticContact CZ2-CH2 3.77Å; W40-W77 HydrophobicContact CZ2-CH2 3.77Å; W40-W77 HydrophobicContact CZ2-CZ3 4.33Å; W40-W77 AromaticContact NE1-CH2 3.81Å; A73-W77 PolarHBondContact O-N 3.46Å; L74-W77 HydrophobicContact CD1-CE3 3.99Å; L74-W77 HydrophobicContact CD1-CZ3 4.25Å; L74-W77 PolarHBondContact O-N 3.36Å; W77-E79 VanDerWaalsContact C-N 3.28Å; W77-E79 PolarHBondContact O-N 3.13Å; W77-E80 PolarHBondContact O-N 2.88Å; W77-E81 HydrophobicContact CD2-CG 4.46Å; W77-E81 HydrophobicContact CG-CG 4.49Å; W77-E81 HydrophobicContact CZ2-CG 4.4Å; W77-E81 WeakPolarHBondContact CZ2-OE1 3.42Å; W77-E81 WeakPolarHBondContact CZ2-OE2 3.34Å; W77-E81 VanDerWaalsContact NE1-CD 3.29Å; W77-E81 PolarHBondContact NE1-OE1 2.89Å; W77-E81 WeakPolarHBondContact O-CB 3.44Å; W77-E81 PolarHBondContact O-N 3.1Å |
| 78 | V | 67.1 | Low | 57 | Low | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.4 | -26.4 | 175.6 | 160.5 | 0 | 0 | 0 | 0 | 112.9 | Y51 R52 R56 L74 I75 A82 | Y51-V78 HydrophobicContact CE1-CG2 4.43Å; R52-V78 HydrophobicContact CB-CG1 3.85Å; R52-V78 HydrophobicContact CG-CG1 4.07Å; R52-V78 HydrophobicContact CG-CG2 4.26Å; R52-V78 WeakPolarHBondContact O-CG1 3.25Å; R56-V78 PolarHBondContact NH2-O 3.12Å; L74-V78 HydrophobicContact CD1-CG2 4.49Å; L74-V78 HydrophobicContact CG-CG2 4.44Å; L74-V78 VanDerWaalsContact O-CB 3.29Å; L74-V78 WeakPolarHBondContact O-CB 3.21Å; L74-V78 WeakPolarHBondContact O-CG2 3.36Å; L74-V78 PolarHBondContact O-N 3.04Å; I75-V78 PolarHBondContact O-N 3.21Å; V78-A82 WeakPolarHBondContact O-CB 3.5Å |
| 79 | E | 65.4 | Low | 56 | Low | 54 Ų | 54 | 80.4 Ų | 80.4 | 25% | 0.252 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -84 | -45.8 | 172.8 | -74 | 172 | -141.4 | 0 | 0 | 111.9 | K71 I75 S76 W77 E81 A82 E83 | K71-E79 VanDerWaalsContact CE-CD 3.46Å; K71-E79 WeakPolarHBondContact CE-OE1 3.2Å; K71-E79 VanDerWaalsContact CE-OE2 3.31Å; K71-E79 WeakPolarHBondContact CE-OE2 3.47Å; K71-E79 VanDerWaalsContact NZ-CD 3.28Å; K71-E79 IonicContact NZ-OE1 3.76Å; K71-E79 IonicContact NZ-OE2 3.47Å; K71-E79 PolarHBondContact NZ-OE2 2.97Å; I75-E79 WeakPolarHBondContact CG2-OE1 3.3Å; I75-E79 WeakPolarHBondContact O-CB 3.36Å; I75-E79 WeakPolarHBondContact O-CG 3.09Å; I75-E79 PolarHBondContact O-N 2.83Å; S76-E79 PolarHBondContact O-N 3.46Å; W77-E79 VanDerWaalsContact C-N 3.28Å; W77-E79 PolarHBondContact O-N 3.13Å; E79-E81 PolarHBondContact O-N 3.33Å; E79-A82 CarbonylContact O-C 3.6Å; E79-A82 WeakPolarHBondContact O-CA 3.45Å; E79-A82 WeakPolarHBondContact O-CB 3.32Å; E79-A82 PolarHBondContact O-N 3.3Å; E79-E83 PolarHBondContact O-N 3.28Å |
| 80 | E | 61.3 | Low | 54.7 | Low | 124 Ų | 124 | 88.7 Ų | 88.7 | 58% | 0.579 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.5 | -44.2 | 177.7 | -170.9 | 173.9 | -165.8 | 0 | 0 | 112 | S76 W77 A82 E83 L84 | S76-E80 WeakPolarHBondContact O-CB 3.5Å; S76-E80 PolarHBondContact O-N 3.31Å; W77-E80 PolarHBondContact O-N 2.88Å; E80-A82 PolarHBondContact O-N 2.97Å; E80-E83 PolarHBondContact O-N 3.06Å; E80-L84 PolarHBondContact O-N 2.97Å |
| 81 | E | 56.7 | Low | 53.8 | Low | 49 Ų | 49 | 88.5 Ų | 88.5 | 23% | 0.229 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -72.5 | -2.7 | 171.6 | -70.9 | -158.4 | 142 | 0 | 0 | 114.3 | R52 W77 E79 W85 | R52-E81 IonicContact CZ-OE2 3.54Å; R52-E81 VanDerWaalsContact CZ-OE2 3.29Å; R52-E81 IonicContact NE-OE2 2.64Å; R52-E81 PolarHBondContact NE-OE2 2.78Å; R52-E81 PolarHBondContact NH1-O 3.26Å; R52-E81 IonicContact NH2-OE1 3.47Å; R52-E81 IonicContact NH2-OE2 3.76Å; R52-E81 PolarHBondContact NH2-OE2 2.94Å; W77-E81 HydrophobicContact CD2-CG 4.46Å; W77-E81 HydrophobicContact CG-CG 4.49Å; W77-E81 HydrophobicContact CZ2-CG 4.4Å; W77-E81 WeakPolarHBondContact CZ2-OE1 3.42Å; W77-E81 WeakPolarHBondContact CZ2-OE2 3.34Å; W77-E81 VanDerWaalsContact NE1-CD 3.29Å; W77-E81 PolarHBondContact NE1-OE1 2.89Å; W77-E81 WeakPolarHBondContact O-CB 3.44Å; W77-E81 PolarHBondContact O-N 3.1Å; E79-E81 PolarHBondContact O-N 3.33Å; E81-W85 VanDerWaalsContact O-CD1 3.24Å |
| 82 | A | 51.7 | Low | 52.4 | Low | 28 Ų | 28 | 89.1 Ų | 89.1 | 23% | 0.231 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -101.4 | -33.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V78 E79 E80 L84 W85 G86 | V78-A82 WeakPolarHBondContact O-CB 3.5Å; E79-A82 CarbonylContact O-C 3.6Å; E79-A82 WeakPolarHBondContact O-CA 3.45Å; E79-A82 WeakPolarHBondContact O-CB 3.32Å; E79-A82 PolarHBondContact O-N 3.3Å; E80-A82 PolarHBondContact O-N 2.97Å; A82-L84 PolarHBondContact O-N 3.23Å; A82-W85 CarbonylContact O-C 3.48Å; A82-W85 PolarHBondContact O-N 3.45Å; A82-G86 PolarHBondContact O-N 2.87Å |
| 83 | E | 41.1 | Very low | 50.9 | Low | 161 Ų | 161 | 96.8 Ų | 96.8 | 75% | 0.752 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.5 | -37.3 | 171.4 | -68.8 | -176.6 | 159.3 | 0 | 0 | 111.2 | E79 E80 W85 G86 | E79-E83 PolarHBondContact O-N 3.28Å; E80-E83 PolarHBondContact O-N 3.06Å; E83-W85 PolarHBondContact O-N 2.81Å; E83-W85 VanDerWaalsContact O-N 3.07Å; E83-G86 PolarHBondContact O-N 3.31Å |
| 84 | L | 35.7 | Very low | 49.2 | Very low | 125 Ų | 125 | 98.7 Ų | 98.7 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -15.3 | 170.1 | -89.4 | 161.5 | 0 | 0 | 0 | 115.5 | E80 A82 | E80-L84 PolarHBondContact O-N 2.97Å; A82-L84 PolarHBondContact O-N 3.23Å |
| 85 | W | 43.3 | Very low | 47.3 | Very low | 196 Ų | 196 | 106.6 Ų | 106.6 | 74% | 0.742 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.1 | 22 | -178.1 | -63.8 | 81.8 | 0 | 0 | 0 | 112.8 | E81 A82 E83 | E81-W85 VanDerWaalsContact O-CD1 3.24Å; A82-W85 CarbonylContact O-C 3.48Å; A82-W85 PolarHBondContact O-N 3.45Å; E83-W85 PolarHBondContact O-N 2.81Å; E83-W85 VanDerWaalsContact O-N 3.07Å |
| 86 | G | 33.5 | Very low | 44.8 | Very low | 29 Ų | 29 | 112.3 Ų | 112.3 | 30% | 0.299 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -64.5 | 165.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A82 E83 A88 A89 | A82-G86 PolarHBondContact O-N 2.87Å; E83-G86 PolarHBondContact O-N 3.31Å; G86-A88 PolarHBondContact O-N 3.06Å; G86-A89 PolarHBondContact O-N 3.03Å |
| 87 | P | 35.9 | Very low | 42.9 | Very low | 150 Ų | 150 | 115.7 Ų | 115.7 | 97% | 0.974 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 2.1 | -171.5 | -25.1 | 35.6 | 0 | 0 | 0 | 117.6 | ||
| 88 | A | 37.1 | Very low | 41.1 | Very low | 95 Ų | 95 | 117.3 Ų | 117.3 | 79% | 0.785 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -6.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G86 R90 | G86-A88 PolarHBondContact O-N 3.06Å; A88-R90 PolarHBondContact O-N 3.11Å |
| 89 | A | 36.2 | Very low | 39.2 | Very low | 68 Ų | 68 | 125.8 Ų | 125.8 | 56% | 0.562 | 68% | 0.678 | S | S | * | * | trans | -70.4 | 90.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G86 | G86-A89 PolarHBondContact O-N 3.03Š| ||
| 90 | R | 36.4 | Very low | 37.4 | Very low | 236 Ų | 236 | 129 Ų | 129 | 89% | 0.891 | 70% | 0.701 | S | S | * | * | trans | -69.8 | 143.4 | 163.6 | -76 | -179 | 167 | -175.9 | -4.2 | 110 | A88 P92 | A88-R90 PolarHBondContact O-N 3.11Å; R90-P92 WeakPolarHBondContact O-CD 3.48Å | ||
| 91 | D | 40.9 | Very low | 35.9 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 86% | 0.856 | 72% | 0.715 | S | S | * | * | trans | -52.1 | 127.9 | 174.3 | -86.6 | -63.7 | 0 | 0 | 0 | 113 | ||||
| 92 | P | 36.1 | Very low | 34.9 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 69% | 0.688 | 74% | 0.741 | S | S | * | * | trans | -99.3 | 101.5 | 155.7 | 32.4 | -20.6 | 0 | 0 | 0 | 109.5 | R90 T94 | R90-P92 WeakPolarHBondContact O-CD 3.48Å; P92-T94 PolarHBondContact O-N 3.24Å; P92-T94 VanDerWaalsContact O-N 3.16Å | ||
| 93 | E | 41.8 | Very low | 33.8 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -59.5 | 116.4 | 158 | -77.9 | -167.2 | 99.9 | 0 | 0 | 108.7 | ||||
| 94 | T | 29.5 | Very low | 33.3 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -142.7 | 128 | 166.3 | -51.8 | 0 | 0 | 0 | 0 | 110.2 | P92 | P92-T94 PolarHBondContact O-N 3.24Å; P92-T94 VanDerWaalsContact O-N 3.16Å | ||
| 95 | K | 30.9 | Very low | 33 | Very low | 191 Ų | 191 | 135.3 Ų | 135.3 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 150.2 | -175.1 | -64.8 | 166.2 | -178.4 | 169.3 | 0 | 111.1 | ||
| 96 | C | 23.2 | Very low | 32.6 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 138.9 | 168.3 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 97 | P | 30 | Very low | 32.5 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 166.7 | 161.9 | -16.8 | 32 | 0 | 0 | 0 | 113 | ||
| 98 | T | 29.1 | Very low | 32.1 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | -126.8 | 170.4 | 176.9 | 57.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 99 | E | 28.1 | Very low | 31.5 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | cis | -115.6 | -134.3 | 6.4 | -55.8 | 170 | 160.1 | 0 | 0 | 109.2 | ||||
| 100 | T | 27.3 | Very low | 31.2 | Very low | 121 Ų | 121 | 153.4 Ų | 153.4 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | cis | -143.6 | 154.8 | 5.6 | 45.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 101 | D | 30.4 | Very low | 31.1 | Very low | 162 Ų | 162 | 151.6 Ų | 151.6 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -109 | 154.2 | 160 | -83.7 | -57.6 | 0 | 0 | 0 | 110.1 | ||||
| 102 | P | 35.7 | Very low | 30.5 | Very low | 119 Ų | 119 | 153.5 Ų | 153.5 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -127.5 | 107.3 | 158.8 | 34.1 | -19.4 | 0 | 0 | 0 | 114 | ||||
| 103 | A | 28.2 | Very low | 30.2 | Very low | 97 Ų | 97 | 155.5 Ų | 155.5 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | 52.3 | 125.4 | 145.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 104 | D | 29.2 | Very low | 29.7 | Very low | 157 Ų | 157 | 156.6 Ų | 156.6 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | -143.9 | -176.2 | 114.3 | -153.3 | -6.7 | 0 | 0 | 0 | 111 | |||||
| 105 | S | 31.3 | Very low | 29.7 | Very low | 86 Ų | 86 | 158.1 Ų | 158.1 | 60% | 0.601 | 80% | 0.797 | S | S | * | * | trans | -140.6 | 146.4 | -135.3 | -39.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 106 | R | 34.7 | Very low | 29.6 | Very low | 238 Ų | 238 | 152.6 Ų | 152.6 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | 67.1 | 160.4 | 165 | -69.4 | 171.6 | 162 | 152.1 | -6.8 | 115.5 | ||||
| 107 | N | 30 | Very low | 29.8 | Very low | 144 Ų | 144 | 156.2 Ų | 156.2 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | cis | -128.1 | 170.5 | 4.6 | -155.3 | 32.6 | 0 | 0 | 0 | 113.7 | ||||
| 108 | K | 29 | Very low | 29.7 | Very low | 166 Ų | 166 | 153.6 Ų | 153.6 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | -104.7 | 166 | 173.8 | -154.5 | 179 | -175.4 | -176.7 | 0 | 109.8 | ||||
| 109 | E | 24.6 | Very low | 29.7 | Very low | 178 Ų | 178 | 152.3 Ų | 152.3 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | 67.2 | 146.4 | -175.7 | -67.9 | 148.9 | 106.8 | 0 | 0 | 112.9 | ||||
| 110 | E | 29.4 | Very low | 29.7 | Very low | 192 Ų | 192 | 151.3 Ų | 151.3 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | cis | -128.8 | 140.1 | 14.8 | -61.2 | 169.8 | 105 | 0 | 0 | 112.7 | ||||
| 111 | E | 33.7 | Very low | 29.9 | Very low | 198 Ų | 198 | 153.8 Ų | 153.8 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -136.2 | 97 | 152.1 | -170 | -169.5 | 150.6 | 0 | 0 | 109.1 | ||||
| 112 | R | 28.8 | Very low | 29.7 | Very low | 199 Ų | 199 | 155.3 Ų | 155.3 | 75% | 0.751 | 80% | 0.801 | S | S | * | * | trans | -152.8 | 92.9 | 170.5 | -151.1 | -170.6 | -171.5 | -58.9 | -11.2 | 114.7 | ||||
| 113 | Q | 28.8 | Very low | 29.7 | Very low | 148 Ų | 148 | 154.7 Ų | 154.7 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | 41.9 | 106.3 | 141.2 | -56.8 | 174.3 | -13.1 | 0 | 0 | 119.1 | ||||
| 114 | R | 31.7 | Very low | 29.7 | Very low | 215 Ų | 215 | 156.3 Ų | 156.3 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | -167.7 | 124.4 | 118.3 | -104.1 | -172.3 | 147.5 | -161.3 | -22.8 | 111.5 | |||||
| 115 | E | 29.1 | Very low | 30.3 | Very low | 159 Ų | 159 | 154 Ų | 154 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | 50.4 | 115 | 93.9 | -56.9 | -173.8 | 126.6 | 0 | 0 | 113.2 | |||||
| 116 | G | 28.6 | Very low | 30.1 | Very low | 75 Ų | 75 | 156.6 Ų | 156.6 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | cis | -150.9 | -142.7 | -3.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 117 | M | 28.2 | Very low | 29.8 | Very low | 196 Ų | 196 | 149.3 Ų | 149.3 | 97% | 0.966 | 79% | 0.793 | S | S | * | * | cis | -173.5 | 157.7 | -14.7 | 51.7 | 177.8 | 179.7 | 0 | 0 | 106.1 | ||||
| 118 | G | 27.1 | Very low | 30 | Very low | 72 Ų | 72 | 149.5 Ų | 149.5 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | cis | -171.3 | -169 | -4.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 119 | A | 29.3 | Very low | 29.8 | Very low | 99 Ų | 99 | 144.9 Ų | 144.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 29.5 | 129 | 162 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 120 | L | 29.6 | Very low | 30.2 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | cis | -159.6 | -178.7 | 23.8 | -141.4 | 61.2 | 0 | 0 | 0 | 106.4 | ||||
| 121 | E | 30 | Very low | 30.4 | Very low | 174 Ų | 174 | 139 Ų | 139 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | cis | -138.7 | -161 | 10.2 | -58.9 | -167.7 | 94.7 | 0 | 0 | 111.8 | ||||
| 122 | K | 26.5 | Very low | 30.5 | Very low | 193 Ų | 193 | 133 Ų | 133 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | -160.1 | 166.1 | 178.3 | -91.4 | -171.6 | -176.3 | 177.4 | 0 | 109.2 | ||||
| 123 | P | 37 | Very low | 30.7 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | cis | -146 | -169.5 | -26.8 | 35.6 | -12.9 | 0 | 0 | 0 | 115.5 | ||||
| 124 | V | 27.5 | Very low | 30.7 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | 74.3 | 173.2 | 158.4 | -113.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 125 | P | 42.5 | Very low | 30.9 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | -132.5 | -143.6 | -120.4 | 47.2 | -26 | 0 | 0 | 0 | 114.9 | |||||
| 126 | V | 25.7 | Very low | 31.2 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | 77.2 | 144.4 | 174.9 | 161 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 127 | A | 28.1 | Very low | 31.5 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | cis | -133.7 | 152.2 | 15.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 128 | T | 34.2 | Very low | 31.7 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -75.3 | 130.8 | 150.3 | 48 | 0 | 0 | 0 | 0 | 110 | ||||
| 129 | G | 25.9 | Very low | 32 | Very low | 70 Ų | 70 | 129.9 Ų | 129.9 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -162.6 | 64.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | P131 | G129-P131 WeakPolarHBondContact O-CD 3.47Š| ||
| 130 | S | 32.6 | Very low | 32.2 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -97.7 | 107.1 | 167.8 | -64.6 | 0 | 0 | 0 | 0 | 110.4 | G132 | S130-G132 PolarHBondContact O-N 3.23Š| ||
| 131 | P | 33.9 | Very low | 32.3 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -73.2 | 117.2 | -178.5 | 28.1 | -33.4 | 0 | 0 | 0 | 111.5 | G129 L133 | G129-P131 WeakPolarHBondContact O-CD 3.47Å; P131-L133 PolarHBondContact O-N 3.18Å | ||
| 132 | G | 34.8 | Very low | 32.6 | Very low | 74 Ų | 74 | 125.8 Ų | 125.8 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | -74.5 | 112 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S130 | S130-G132 PolarHBondContact O-N 3.23Š| ||
| 133 | L | 33.2 | Very low | 33.1 | Very low | 171 Ų | 171 | 122.2 Ų | 122.2 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -84.1 | 115.4 | 169.4 | -68 | 178.4 | 0 | 0 | 0 | 110.2 | P131 | P131-L133 PolarHBondContact O-N 3.18Š| ||
| 134 | K | 30.1 | Very low | 33.1 | Very low | 202 Ų | 202 | 123 Ų | 123 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | trans | -64 | 132.8 | -179.2 | -63.3 | 176.4 | -179.4 | 176.5 | 0 | 110.6 | ||||
| 135 | A | 35.7 | Very low | 33.5 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -67.8 | 127 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q137 | A135-Q137 PolarHBondContact O-N 3.01Š| ||
| 136 | P | 33.9 | Very low | 33.1 | Very low | 125 Ų | 125 | 126 Ų | 126 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -71.7 | 112.2 | 175.3 | 28.2 | -32.5 | 0 | 0 | 0 | 109.8 | ||||
| 137 | Q | 36.2 | Very low | 33.1 | Very low | 200 Ų | 200 | 128.4 Ų | 128.4 | 94% | 0.935 | 81% | 0.808 | S | S | * | * | trans | -77.3 | 124.3 | 164.3 | -66.6 | -174.6 | 58.9 | 0 | 0 | 108.6 | A135 | A135-Q137 PolarHBondContact O-N 3.01Š| ||
| 138 | A | 31.6 | Very low | 33.2 | Very low | 81 Ų | 81 | 133.6 Ų | 133.6 | 67% | 0.669 | 82% | 0.818 | S | S | * | * | trans | -130.4 | 141.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | L140 | A138-L140 PolarHBondContact O-N 3.38Š| ||
| 139 | P | 32.8 | Very low | 32.9 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -72.9 | 129.6 | -168.7 | 28.3 | -34.7 | 0 | 0 | 0 | 112.1 | A141 | P139-A141 PolarHBondContact O-N 2.98Š| ||
| 140 | L | 33.5 | Very low | 33.2 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -82.4 | 101 | 169.9 | -70.2 | 175.2 | 0 | 0 | 0 | 109.8 | A138 | A138-L140 PolarHBondContact O-N 3.38Š| ||
| 141 | A | 32.1 | Very low | 33.3 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 131.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | P139 | P139-A141 PolarHBondContact O-N 2.98Š|
| 142 | G | 36.9 | Very low | 33.3 | Very low | 67 Ų | 67 | 139.7 Ų | 139.7 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 149.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 143 | P | 37.3 | Very low | 33.3 | Very low | 118 Ų | 118 | 139.3 Ų | 139.3 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 146.8 | 171.5 | -20.9 | 33.5 | 0 | 0 | 0 | 112.8 | Y145 | P143-Y145 PolarHBondContact O-N 3.23Š|
| 144 | P | 37 | Very low | 33.5 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -84.5 | 96.2 | -173.7 | 33.1 | -34.9 | 0 | 0 | 0 | 112.6 | ||||
| 145 | Y | 35.3 | Very low | 33.7 | Very low | 217 Ų | 217 | 136.1 Ų | 136.1 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -131.2 | 106.4 | 159.7 | -83.5 | -79.8 | 0 | 0 | 0 | 109.9 | P143 W147 | P143-Y145 PolarHBondContact O-N 3.23Å; Y145-W147 PolarHBondContact O-N 2.93Å | ||
| 146 | G | 34.8 | Very low | 33.9 | Very low | 86 Ų | 86 | 143.7 Ų | 143.7 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -70.1 | 123.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 147 | W | 26 | Very low | 34.2 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | trans | -120.7 | 115.7 | 155.6 | 58.6 | -78.7 | 0 | 0 | 0 | 106 | Y145 Q149 | Y145-W147 PolarHBondContact O-N 2.93Å; W147-Q149 HydrophobicContact CE3-CG 4.17Å; W147-Q149 HydrophobicContact CH2-CG 4.02Å; W147-Q149 HydrophobicContact CZ3-CG 3.69Å | ||
| 148 | E | 29.5 | Very low | 34.1 | Very low | 194 Ų | 194 | 143.3 Ų | 143.3 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 137.6 | -179 | -63.7 | -175.4 | 98.5 | 0 | 0 | 109.7 | P150 | E148-P150 WeakPolarHBondContact O-CD 3.31Š|
| 149 | Q | 28.8 | Very low | 34.6 | Very low | 141 Ų | 141 | 145.2 Ų | 145.2 | 66% | 0.659 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 122.5 | 179.6 | -61.8 | -162 | -4.7 | 0 | 0 | 110 | W147 S151 | W147-Q149 HydrophobicContact CE3-CG 4.17Å; W147-Q149 HydrophobicContact CH2-CG 4.02Å; W147-Q149 HydrophobicContact CZ3-CG 3.69Å; Q149-S151 PolarHBondContact O-N 3.22Å |
| 150 | P | 32 | Very low | 34.7 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 127.2 | 167.4 | -22.1 | 34.4 | 0 | 0 | 0 | 110.3 | E148 | E148-P150 WeakPolarHBondContact O-CD 3.31Š|
| 151 | S | 32.9 | Very low | 35.2 | Very low | 118 Ų | 118 | 143.4 Ų | 143.4 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 139.8 | -175.4 | -59.5 | 0 | 0 | 0 | 0 | 113.2 | Q149 A153 | Q149-S151 PolarHBondContact O-N 3.22Å; S151-A153 PolarHBondContact O-N 2.67Å; S151-A153 VanDerWaalsContact O-N 3.17Å |
| 152 | K | 35.4 | Very low | 35.4 | Very low | 208 Ų | 208 | 142.7 Ų | 142.7 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | trans | -69 | 109.8 | 179.1 | -67.3 | -179.3 | -179.2 | 176.5 | 0 | 111.7 | ||||
| 153 | A | 34.2 | Very low | 35.1 | Very low | 66 Ų | 66 | 144.3 Ų | 144.3 | 55% | 0.545 | 80% | 0.797 | S | S | . | * | trans | -101.7 | 138.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S151 H155 | S151-A153 PolarHBondContact O-N 2.67Å; S151-A153 VanDerWaalsContact O-N 3.17Å; A153-H155 PolarHBondContact O-N 3.41Å; A153-H155 VanDerWaalsContact O-N 3.09Å | ||
| 154 | P | 37.3 | Very low | 35.5 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -83.9 | 83.2 | -174.3 | 33.4 | -35.5 | 0 | 0 | 0 | 112.4 | R156 | P154-R156 PolarHBondContact O-N 3.17Š| ||
| 155 | H | 34.7 | Very low | 36 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -71.2 | 112.9 | 173.6 | -73.5 | -81.6 | 0 | 0 | 0 | 111.8 | A153 | A153-H155 PolarHBondContact O-N 3.41Å; A153-H155 VanDerWaalsContact O-N 3.09Å | ||
| 156 | R | 40.5 | Very low | 36.7 | Very low | 247 Ų | 247 | 140 Ų | 140 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | trans | -69.6 | 136.3 | 171.1 | -67.1 | -173.6 | 179 | -148.5 | 2.4 | 111.1 | P154 | P154-R156 PolarHBondContact O-N 3.17Š| ||
| 157 | G | 40.2 | Very low | 37.6 | Very low | 78 Ų | 78 | 142.2 Ų | 142.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 60.9 | 89.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 158 | R | 33.1 | Very low | 38.7 | Very low | 238 Ų | 238 | 134.9 Ų | 134.9 | 90% | 0.898 | 75% | 0.754 | S | S | * | * | trans | -135.4 | 132.5 | 142.6 | -81.2 | 177.4 | 67.5 | -179.4 | 1.7 | 108.8 | ||||
| 159 | P | 41.5 | Very low | 39.8 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | trans | -70.2 | 133.2 | 175.3 | 28.8 | -33.2 | 0 | 0 | 0 | 110.3 | ||||
| 160 | S | 35.9 | Very low | 41.1 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | -92 | 112.8 | 175.6 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | C162 | S160-C162 PolarHBondContact O-N 3.11Å; S160-C162 VanDerWaalsContact O-N 3.09Å | ||
| 161 | L | 43 | Very low | 42.3 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | trans | -80.3 | 28.2 | 176.9 | -66.9 | 173.8 | 0 | 0 | 0 | 113.1 | A163 | L161-A163 PolarHBondContact O-N 3.3Š| ||
| 162 | C | 36.8 | Very low | 43.9 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 58% | 0.581 | 74% | 0.744 | S | S | * | * | trans | -91.5 | 75.5 | 173.9 | -68.5 | 0 | 0 | 0 | 0 | 110.5 | S160 H164 | S160-C162 PolarHBondContact O-N 3.11Å; S160-C162 VanDerWaalsContact O-N 3.09Å; C162-H164 VanDerWaalsContact C-N 3.3Å; C162-H164 PolarHBondContact O-N 2.88Å | ||
| 163 | A | 31.5 | Very low | 46 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 83% | 0.826 | 73% | 0.726 | S | S | * | * | trans | -69.7 | 84.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | L161 | L161-A163 PolarHBondContact O-N 3.3Š| ||
| 164 | H | 44.5 | Very low | 48.3 | Very low | 162 Ų | 162 | 132 Ų | 132 | 75% | 0.75 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 133.2 | 162.6 | -62.9 | -70.9 | 0 | 0 | 0 | 108.7 | C162 | C162-H164 VanDerWaalsContact C-N 3.3Å; C162-H164 PolarHBondContact O-N 2.88Å |
| 165 | P | 49 | Very low | 50.5 | Low | 92 Ų | 92 | 128 Ų | 128 | 60% | 0.597 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 137.8 | 176.1 | 25.1 | -33.5 | 0 | 0 | 0 | 109.4 | V167 | P165-V167 PolarHBondContact O-N 2.99Š|
| 166 | P | 49.5 | Very low | 53.1 | Low | 114 Ų | 114 | 119.8 Ų | 119.8 | 74% | 0.74 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 133.9 | -174.7 | 24.4 | -33.9 | 0 | 0 | 0 | 110.4 | P168 | P166-P168 WeakPolarHBondContact O-CD 3.5Š|
| 167 | V | 53.5 | Low | 55.2 | Low | 133 Ų | 133 | 117.2 Ų | 117.2 | 81% | 0.806 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 122.9 | 175.7 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | P165 R169 | P165-V167 PolarHBondContact O-N 2.99Å; V167-R169 PolarHBondContact O-N 3.17Å |
| 168 | P | 49.7 | Very low | 57.4 | Low | 35 Ų | 35 | 117 Ų | 117 | 23% | 0.227 | 63% | 0.631 | C | S | . | * | P | Polyproline II helix | trans | -59.6 | 140.9 | -177.7 | -25.9 | 35.8 | 0 | 0 | 0 | 111.1 | P166 Q172 W185 | P166-P168 WeakPolarHBondContact O-CD 3.5Å; P168-Q172 HydrophobicContact CB-CB 4.46Å; P168-W185 VanDerWaalsContact CD-CH2 3.42Å; P168-W185 HydrophobicContact CG-CD2 4.41Å; P168-W185 HydrophobicContact CG-CE3 3.92Å; P168-W185 HydrophobicContact CG-CH2 3.59Å; P168-W185 HydrophobicContact CG-CZ2 4.06Å; P168-W185 HydrophobicContact CG-CZ3 3.49Å; P168-W185 VanDerWaalsContact CG-CZ3 3.49Å |
| 169 | R | 52.8 | Low | 60 | Low | 223 Ų | 223 | 108.2 Ų | 108.2 | 84% | 0.842 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 147.3 | 171.1 | -67.5 | -174.6 | 176.6 | -167 | -0.4 | 108.9 | V167 D171 Q172 | V167-R169 PolarHBondContact O-N 3.17Å; R169-D171 PolarHBondContact O-N 3.48Å; R169-Q172 PolarHBondContact O-N 3.05Å |
| 170 | A | 56 | Low | 62 | Low | 82 Ų | 82 | 105.6 Ų | 105.6 | 68% | 0.678 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -14.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | R173 | A170-R173 WeakPolarHBondContact O-CD 3.22Å; A170-R173 WeakPolarHBondContact O-CG 3.39Å |
| 171 | D | 57.5 | Low | 64.5 | Low | 153 Ų | 153 | 106.6 Ų | 106.6 | 82% | 0.818 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -38.2 | 176.5 | -166.5 | 27.7 | 0 | 0 | 0 | 113.3 | R169 R173 | R169-D171 PolarHBondContact O-N 3.48Å; D171-R173 PolarHBondContact O-N 3.06Å |
| 172 | Q | 65.2 | Low | 66.7 | Low | 137 Ų | 137 | 101.3 Ų | 101.3 | 64% | 0.64 | 57% | 0.57 | S | S | * | * | trans | -82.6 | 67.4 | 178.5 | -73.5 | -171.5 | -10.8 | 0 | 0 | 112 | P168 R169 | P168-Q172 HydrophobicContact CB-CB 4.46Å; R169-Q172 PolarHBondContact O-N 3.05Å | ||
| 173 | R | 79 | Confident | 69.1 | Low | 142 Ų | 142 | 99.2 Ų | 99.2 | 54% | 0.536 | 55% | 0.551 | S | S | . | * | trans | -102.4 | 126.4 | 174.5 | -82.5 | 176.9 | 174.6 | -87.8 | -6.6 | 111.5 | A170 D171 G175 S182 | A170-R173 WeakPolarHBondContact O-CD 3.22Å; A170-R173 WeakPolarHBondContact O-CG 3.39Å; D171-R173 PolarHBondContact O-N 3.06Å; R173-G175 PolarHBondContact O-N 3.48Å; R173-S182 PolarHBondContact NH1-OG 3.24Å | ||
| 174 | H | 82.8 | Confident | 71.7 | Confident | 52 Ų | 52 | 96.7 Ų | 96.7 | 24% | 0.241 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 107 | 178.6 | -60.6 | -72.3 | 0 | 0 | 0 | 110.2 | F183 R186 L189 | H174-F183 PolarHBondContact N-O 2.95Å; H174-F183 PolarHBondContact O-N 3.21Å; H174-R186 PolarHBondContact CD2-N 2.67Å; H174-R186 PolarHBondContact NE2-N 2.64Å; H174-L189 HydrophobicContact CB-CB 4.01Å; H174-L189 HydrophobicContact CB-CD2 3.74Å; H174-L189 HydrophobicContact CB-CG 4.49Å |
| 175 | G | 83.7 | Confident | 73.5 | Confident | 47 Ų | 47 | 94.1 Ų | 94.1 | 49% | 0.485 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 140.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R173 L189 | R173-G175 PolarHBondContact O-N 3.48Å; G175-L189 WeakPolarHBondContact O-CD2 3.24Å |
| 176 | C | 89.3 | Confident | 75.1 | Confident | 4 Ų | 4 | 98.2 Ų | 98.2 | 3% | 0.027 | 52% | 0.518 | C | S | . | . | trans | -85.7 | 117.9 | 169.3 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | V178 C179 G180 K181 F183 L189 H196 | C176-V178 PolarHBondContact O-N 2.74Å; C176-C179 PolarHBondContact O-N 3.45Å; C176-G180 WeakPolarHBondContact O-CA 3.48Å; C176-G180 PolarHBondContact O-N 2.74Å; C176-K181 PolarHBondContact N-O 2.91Å; C176-F183 HydrophobicContact CB-CE2 4.26Å; C176-L189 HydrophobicContact CB-CD1 3.56Å; C176-H196 PolarHBondContact SG-NE2 3.09Å; C176-H196 VanDerWaalsContact SG-NE2 3.37Å | ||
| 177 | Y | 84.3 | Confident | 76.6 | Confident | 194 Ų | 194 | 96.6 Ų | 96.6 | 76% | 0.761 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -27 | -179.4 | 69.3 | -89.5 | 0 | 0 | 0 | 113.5 | ||
| 178 | V | 86.3 | Confident | 78.1 | Confident | 73 Ų | 73 | 92.6 Ų | 92.6 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -33 | -178.2 | -172.6 | 0 | 0 | 0 | 0 | 112.9 | C176 H196 | C176-V178 PolarHBondContact O-N 2.74Å; V178-H196 HydrophobicContact CG1-CB 4.19Å; V178-H196 HydrophobicContact CG2-CB 4.32Å |
| 179 | C | 88.1 | Confident | 79.7 | Confident | 53 Ų | 53 | 92.2 Ų | 92.2 | 36% | 0.358 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.6 | 20.9 | -173.9 | 79.3 | 0 | 0 | 0 | 0 | 115.6 | C176 K181 H192 H196 | C176-C179 PolarHBondContact O-N 3.45Å; C179-K181 PolarHBondContact O-N 2.89Å; C179-K181 VanDerWaalsContact SG-CD 3.58Å; C179-H192 PolarHBondContact SG-NE2 3.2Å; C179-H196 VanDerWaalsContact SG-CE1 3.55Å |
| 180 | G | 83.3 | Confident | 81.2 | Confident | 67 Ų | 67 | 84.6 Ų | 84.6 | 69% | 0.691 | 46% | 0.46 | S | S | * | . | trans | 67 | -6.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | C176 S182 | C176-G180 WeakPolarHBondContact O-CA 3.48Å; C176-G180 PolarHBondContact O-N 2.74Å; G180-S182 PolarHBondContact O-N 3.07Å | ||
| 181 | K | 88.4 | Confident | 82.4 | Confident | 119 Ų | 119 | 84 Ų | 84 | 52% | 0.517 | 44% | 0.443 | S | S | . | . | trans | -64.5 | 132.3 | -176.4 | -70.2 | 174.9 | -169.4 | 165 | 0 | 110.9 | C176 C179 F183 | C176-K181 PolarHBondContact N-O 2.91Å; C179-K181 PolarHBondContact O-N 2.89Å; C179-K181 VanDerWaalsContact SG-CD 3.58Å; K181-F183 HydrophobicContact CB-CE2 3.6Å; K181-F183 HydrophobicContact CB-CZ 3.91Å; K181-F183 WeakPolarHBondContact O-CD2 3.31Å; K181-F183 WeakPolarHBondContact O-CE2 3.49Å | ||
| 182 | S | 88.9 | Confident | 83.7 | Confident | 59 Ų | 59 | 77.8 Ų | 77.8 | 41% | 0.413 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.2 | 178.3 | 70.8 | 0 | 0 | 0 | 0 | 112.3 | R173 G180 | R173-S182 PolarHBondContact NH1-OG 3.24Å; G180-S182 PolarHBondContact O-N 3.07Å |
| 183 | F | 86.9 | Confident | 84.6 | Confident | 42 Ų | 42 | 72.7 Ų | 72.7 | 18% | 0.184 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 144.2 | -175.9 | -63.9 | -91.9 | 0 | 0 | 0 | 110.6 | H174 C176 K181 W185 L189 H192 | H174-F183 PolarHBondContact N-O 2.95Å; H174-F183 PolarHBondContact O-N 3.21Å; C176-F183 HydrophobicContact CB-CE2 4.26Å; K181-F183 HydrophobicContact CB-CE2 3.6Å; K181-F183 HydrophobicContact CB-CZ 3.91Å; K181-F183 WeakPolarHBondContact O-CD2 3.31Å; K181-F183 WeakPolarHBondContact O-CE2 3.49Å; F183-W185 PolarHBondContact O-N 3.38Å; F183-L189 HydrophobicContact CB-CB 4.19Å; F183-L189 HydrophobicContact CD2-CB 4.12Å; F183-L189 HydrophobicContact CD2-CD1 3.88Å; F183-L189 HydrophobicContact CE2-CD1 4.17Å; F183-L189 HydrophobicContact CG-CB 4.27Å; F183-H192 HydrophobicContact CE1-CB 3.89Å; F183-H192 HydrophobicContact CE2-CB 4.06Å; F183-H192 AromaticContact CE2-CD2 3.24Å; F183-H192 WeakPolarHBondContact CE2-CD2 3.49Å; F183-H192 AromaticContact CE2-CG 3.79Å; F183-H192 HydrophobicContact CZ-CB 3.55Å; F183-H192 AromaticContact CZ-CD2 3.21Å; F183-H192 WeakPolarHBondContact CZ-CD2 3.48Å; F183-H192 AromaticContact CZ-CG 3.31Å; F183-H192 AromaticContact CZ-NE2 3.98Å |
| 184 | A | 86.8 | Confident | 84.8 | Confident | 48 Ų | 48 | 68.9 Ų | 68.9 | 40% | 0.397 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -74.1 | -12.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 185 | W | 83.1 | Confident | 84.8 | Confident | 108 Ų | 108 | 70.3 Ų | 70.3 | 41% | 0.409 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -141.1 | 142.6 | -176.5 | -57.6 | 109.4 | 0 | 0 | 0 | 110.9 | P168 F183 S187 T188 L189 | P168-W185 VanDerWaalsContact CD-CH2 3.42Å; P168-W185 HydrophobicContact CG-CD2 4.41Å; P168-W185 HydrophobicContact CG-CE3 3.92Å; P168-W185 HydrophobicContact CG-CH2 3.59Å; P168-W185 HydrophobicContact CG-CZ2 4.06Å; P168-W185 HydrophobicContact CG-CZ3 3.49Å; P168-W185 VanDerWaalsContact CG-CZ3 3.49Å; F183-W185 PolarHBondContact O-N 3.38Å; W185-S187 VanDerWaalsContact C-N 3.27Å; W185-S187 PolarHBondContact O-N 3.2Å; W185-T188 HydrophobicContact CB-CG2 4.49Å; W185-T188 PolarHBondContact O-N 2.89Å; W185-T188 PolarHBondContact O-OG1 3.24Å; W185-T188 VanDerWaalsContact O-OG1 3.07Å; W185-L189 PolarHBondContact O-N 3.05Å; W185-L189 VanDerWaalsContact O-N 3.15Å |
| 186 | R | 82.8 | Confident | 84.8 | Confident | 177 Ų | 177 | 71.4 Ų | 71.4 | 67% | 0.668 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.6 | -33.7 | -179.9 | -159.7 | 177.5 | -177.8 | 109.7 | 1.4 | 112 | H174 L189 V190 | H174-R186 PolarHBondContact CD2-N 2.67Å; H174-R186 PolarHBondContact NE2-N 2.64Å; R186-L189 PolarHBondContact O-N 3.37Å; R186-V190 WeakPolarHBondContact O-CG2 3.41Å; R186-V190 PolarHBondContact O-N 3.03Å |
| 187 | S | 81.2 | Confident | 84.4 | Confident | 80 Ų | 80 | 74.6 Ų | 74.6 | 56% | 0.559 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61 | -43.7 | 173.7 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | W185 L189 V190 E191 | W185-S187 VanDerWaalsContact C-N 3.27Å; W185-S187 PolarHBondContact O-N 3.2Å; S187-L189 VanDerWaalsContact C-N 3.35Å; S187-V190 PolarHBondContact O-N 3.39Å; S187-E191 PolarHBondContact O-N 3.45Å |
| 188 | T | 83.4 | Confident | 84.2 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 31% | 0.307 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -75.6 | -23.3 | 178.8 | 56.8 | 0 | 0 | 0 | 0 | 113 | W185 H192 | W185-T188 HydrophobicContact CB-CG2 4.49Å; W185-T188 PolarHBondContact O-N 2.89Å; W185-T188 PolarHBondContact O-OG1 3.24Å; W185-T188 VanDerWaalsContact O-OG1 3.07Å; T188-H192 WeakPolarHBondContact O-CB 3.38Å; T188-H192 PolarHBondContact O-N 2.63Å; T188-H192 VanDerWaalsContact O-N 3.12Å |
| 189 | L | 84.9 | Confident | 84 | Confident | 26 Ų | 26 | 69 Ų | 69 | 14% | 0.136 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.6 | -47 | 163.1 | 172.3 | 61.4 | 0 | 0 | 0 | 111.4 | H174 G175 C176 F183 W185 R186 S187 H192 V193 | H174-L189 HydrophobicContact CB-CB 4.01Å; H174-L189 HydrophobicContact CB-CD2 3.74Å; H174-L189 HydrophobicContact CB-CG 4.49Å; G175-L189 WeakPolarHBondContact O-CD2 3.24Å; C176-L189 HydrophobicContact CB-CD1 3.56Å; F183-L189 HydrophobicContact CB-CB 4.19Å; F183-L189 HydrophobicContact CD2-CB 4.12Å; F183-L189 HydrophobicContact CD2-CD1 3.88Å; F183-L189 HydrophobicContact CE2-CD1 4.17Å; F183-L189 HydrophobicContact CG-CB 4.27Å; W185-L189 PolarHBondContact O-N 3.05Å; W185-L189 VanDerWaalsContact O-N 3.15Å; R186-L189 PolarHBondContact O-N 3.37Å; S187-L189 VanDerWaalsContact C-N 3.35Å; L189-H192 CarbonylContact O-C 3.33Å; L189-H192 WeakPolarHBondContact O-CA 3.47Å; L189-H192 WeakPolarHBondContact O-CB 3.37Å; L189-H192 PolarHBondContact O-N 3.47Å; L189-H192 VanDerWaalsContact O-N 3.09Å; L189-V193 HydrophobicContact CD1-CG2 4.14Å; L189-V193 HydrophobicContact CG-CG2 4.47Å; L189-V193 WeakPolarHBondContact O-CG2 3.27Å; L189-V193 PolarHBondContact O-N 3.43Å |
| 190 | V | 83.1 | Confident | 83.9 | Confident | 64 Ų | 64 | 71.9 Ų | 71.9 | 39% | 0.388 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 179.4 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | R186 S187 H192 V193 Y194 | R186-V190 WeakPolarHBondContact O-CG2 3.41Å; R186-V190 PolarHBondContact O-N 3.03Å; S187-V190 PolarHBondContact O-N 3.39Å; V190-H192 PolarHBondContact O-N 2.86Å; V190-V193 PolarHBondContact O-N 3.28Å; V190-Y194 HydrophobicContact CG1-CE1 4.24Å; V190-Y194 HydrophobicContact CG1-CE2 4.18Å; V190-Y194 WeakPolarHBondContact CG1-OH 3.2Å; V190-Y194 PolarHBondContact O-N 3.26Å |
| 191 | E | 81.9 | Confident | 84 | Confident | 68 Ų | 68 | 71.6 Ų | 71.6 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.6 | -33.2 | 172.6 | -72.3 | -163.7 | 149.8 | 0 | 0 | 112.6 | S187 H213 | S187-E191 PolarHBondContact O-N 3.45Å; E191-H213 IonicContact OE1-ND1 2.83Å; E191-H213 PolarHBondContact OE1-ND1 3.12Å; E191-H213 IonicContact OE2-CE1 3.4Å; E191-H213 PolarHBondContact OE2-CE1 3.01Å; E191-H213 IonicContact OE2-ND1 3.38Å; E191-H213 PolarHBondContact OE2-ND1 3.08Å |
| 192 | H | 84.1 | Confident | 83.9 | Confident | 24 Ų | 24 | 69.3 Ų | 69.3 | 11% | 0.111 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -74.3 | -34.2 | 174.1 | 174.5 | 47.7 | 0 | 0 | 0 | 113.1 | C179 F183 T188 L189 V190 Y194 S195 H196 | C179-H192 PolarHBondContact SG-NE2 3.2Å; F183-H192 HydrophobicContact CE1-CB 3.89Å; F183-H192 HydrophobicContact CE2-CB 4.06Å; F183-H192 AromaticContact CE2-CD2 3.24Å; F183-H192 WeakPolarHBondContact CE2-CD2 3.49Å; F183-H192 AromaticContact CE2-CG 3.79Å; F183-H192 HydrophobicContact CZ-CB 3.55Å; F183-H192 AromaticContact CZ-CD2 3.21Å; F183-H192 WeakPolarHBondContact CZ-CD2 3.48Å; F183-H192 AromaticContact CZ-CG 3.31Å; F183-H192 AromaticContact CZ-NE2 3.98Å; T188-H192 WeakPolarHBondContact O-CB 3.38Å; T188-H192 PolarHBondContact O-N 2.63Å; T188-H192 VanDerWaalsContact O-N 3.12Å; L189-H192 CarbonylContact O-C 3.33Å; L189-H192 WeakPolarHBondContact O-CA 3.47Å; L189-H192 WeakPolarHBondContact O-CB 3.37Å; L189-H192 PolarHBondContact O-N 3.47Å; L189-H192 VanDerWaalsContact O-N 3.09Å; V190-H192 PolarHBondContact O-N 2.86Å; H192-Y194 PolarHBondContact O-N 2.94Å; H192-S195 PolarHBondContact CE1-OG 3.39Å; H192-S195 PolarHBondContact ND1-OG 2.88Å; H192-S195 WeakPolarHBondContact O-CB 3.34Å; H192-S195 PolarHBondContact O-N 3.39Å; H192-S195 PolarHBondContact O-OG 3.46Å; H192-H196 AromaticContact CD2-NE2 3.88Å; H192-H196 AromaticContact CE1-CE1 3.75Å; H192-H196 AromaticContact CE1-NE2 3.2Å; H192-H196 PolarHBondContact CE1-NE2 2.91Å; H192-H196 AromaticContact NE2-CD2 3.98Å; H192-H196 AromaticContact NE2-CE1 3.85Å; H192-H196 AromaticContact NE2-NE2 3.02Å; H192-H196 PolarHBondContact NE2-NE2 3.47Å |
| 193 | V | 83.7 | Confident | 83.8 | Confident | 30 Ų | 30 | 71.8 Ų | 71.8 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.3 | -34.9 | 177.4 | 169 | 0 | 0 | 0 | 0 | 111.4 | L189 V190 S195 H196 T197 | L189-V193 HydrophobicContact CD1-CG2 4.14Å; L189-V193 HydrophobicContact CG-CG2 4.47Å; L189-V193 WeakPolarHBondContact O-CG2 3.27Å; L189-V193 PolarHBondContact O-N 3.43Å; V190-V193 PolarHBondContact O-N 3.28Å; V193-S195 PolarHBondContact O-N 2.59Å; V193-S195 VanDerWaalsContact O-N 3.08Å; V193-H196 PolarHBondContact O-N 3.28Å; V193-T197 HydrophobicContact CG1-CG2 4.05Å; V193-T197 PolarHBondContact O-N 2.81Å; V193-T197 VanDerWaalsContact O-N 3.07Å; V193-T197 PolarHBondContact O-OG1 3.42Å |
| 194 | Y | 84.8 | Confident | 83.9 | Confident | 61 Ų | 61 | 69.9 Ų | 69.9 | 24% | 0.239 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.1 | -24.4 | 170.9 | -56.7 | -34.2 | 0 | 0 | 0 | 114.1 | V190 H192 H196 T197 G198 E199 P201 G212 | V190-Y194 HydrophobicContact CG1-CE1 4.24Å; V190-Y194 HydrophobicContact CG1-CE2 4.18Å; V190-Y194 WeakPolarHBondContact CG1-OH 3.2Å; V190-Y194 PolarHBondContact O-N 3.26Å; H192-Y194 PolarHBondContact O-N 2.94Å; Y194-H196 VanDerWaalsContact C-N 3.29Å; Y194-H196 PolarHBondContact O-N 2.93Å; Y194-T197 WeakPolarHBondContact CA-OG1 3.5Å; Y194-G198 WeakPolarHBondContact O-CA 3.41Å; Y194-G198 PolarHBondContact O-N 2.93Å; Y194-E199 HydrophobicContact CD1-CB 3.92Å; Y194-P201 HydrophobicContact CD2-CG 4.33Å; Y194-P201 HydrophobicContact CE1-CG 4.15Å; Y194-P201 HydrophobicContact CE2-CG 3.88Å; Y194-G212 WeakPolarHBondContact CD2-O 3.47Å |
| 195 | S | 82.4 | Confident | 84 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 57% | 0.573 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -77 | -11.8 | 174.8 | 72.8 | 0 | 0 | 0 | 0 | 114.3 | H192 V193 | H192-S195 PolarHBondContact CE1-OG 3.39Å; H192-S195 PolarHBondContact ND1-OG 2.88Å; H192-S195 WeakPolarHBondContact O-CB 3.34Å; H192-S195 PolarHBondContact O-N 3.39Å; H192-S195 PolarHBondContact O-OG 3.46Å; V193-S195 PolarHBondContact O-N 2.59Å; V193-S195 VanDerWaalsContact O-N 3.08Å |
| 196 | H | 83.1 | Confident | 84.1 | Confident | 71 Ų | 71 | 71.6 Ų | 71.6 | 33% | 0.329 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -100.5 | -43.5 | 171.9 | -56.7 | -65 | 0 | 0 | 0 | 112 | C176 V178 C179 H192 V193 Y194 G198 | C176-H196 PolarHBondContact SG-NE2 3.09Å; C176-H196 VanDerWaalsContact SG-NE2 3.37Å; V178-H196 HydrophobicContact CG1-CB 4.19Å; V178-H196 HydrophobicContact CG2-CB 4.32Å; C179-H196 VanDerWaalsContact SG-CE1 3.55Å; H192-H196 AromaticContact CD2-NE2 3.88Å; H192-H196 AromaticContact CE1-CE1 3.75Å; H192-H196 AromaticContact CE1-NE2 3.2Å; H192-H196 PolarHBondContact CE1-NE2 2.91Å; H192-H196 AromaticContact NE2-CD2 3.98Å; H192-H196 AromaticContact NE2-CE1 3.85Å; H192-H196 AromaticContact NE2-NE2 3.02Å; H192-H196 PolarHBondContact NE2-NE2 3.47Å; V193-H196 PolarHBondContact O-N 3.28Å; Y194-H196 VanDerWaalsContact C-N 3.29Å; Y194-H196 PolarHBondContact O-N 2.93Å; H196-G198 VanDerWaalsContact C-N 3.3Å; H196-G198 PolarHBondContact O-N 2.89Å |
| 197 | T | 81.9 | Confident | 84.4 | Confident | 71 Ų | 71 | 65.5 Ų | 65.5 | 44% | 0.436 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -74.4 | -21 | 179.1 | 58.7 | 0 | 0 | 0 | 0 | 112.9 | V193 Y194 E199 | V193-T197 HydrophobicContact CG1-CG2 4.05Å; V193-T197 PolarHBondContact O-N 2.81Å; V193-T197 VanDerWaalsContact O-N 3.07Å; V193-T197 PolarHBondContact O-OG1 3.42Å; Y194-T197 WeakPolarHBondContact CA-OG1 3.5Å; T197-E199 VanDerWaalsContact CB-OE2 3.25Å; T197-E199 WeakPolarHBondContact CB-OE2 3.38Å; T197-E199 PolarHBondContact O-N 2.96Å; T197-E199 WeakPolarHBondContact OG1-CB 3.46Å; T197-E199 VanDerWaalsContact OG1-CD 3.3Å; T197-E199 WeakPolarHBondContact OG1-CG 3.3Å; T197-E199 PolarHBondContact OG1-N 3.49Å; T197-E199 PolarHBondContact OG1-OE2 3.49Å |
| 198 | G | 79.7 | Confident | 84.5 | Confident | 45 Ų | 45 | 64.3 Ų | 64.3 | 46% | 0.464 | 37% | 0.367 | S | S | . | . | trans | 77.7 | 0.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y194 H196 | Y194-G198 WeakPolarHBondContact O-CA 3.41Å; Y194-G198 PolarHBondContact O-N 2.93Å; H196-G198 VanDerWaalsContact C-N 3.3Å; H196-G198 PolarHBondContact O-N 2.89Å | ||
| 199 | E | 80.9 | Confident | 84.7 | Confident | 104 Ų | 104 | 67.8 Ų | 67.8 | 49% | 0.486 | 38% | 0.378 | S | S | . | . | trans | -58.8 | 144.5 | 177.5 | -68.8 | 167.3 | 128.7 | 0 | 0 | 111.7 | Y194 T197 | Y194-E199 HydrophobicContact CD1-CB 3.92Å; T197-E199 VanDerWaalsContact CB-OE2 3.25Å; T197-E199 WeakPolarHBondContact CB-OE2 3.38Å; T197-E199 PolarHBondContact O-N 2.96Å; T197-E199 WeakPolarHBondContact OG1-CB 3.46Å; T197-E199 VanDerWaalsContact OG1-CD 3.3Å; T197-E199 WeakPolarHBondContact OG1-CG 3.3Å; T197-E199 PolarHBondContact OG1-N 3.49Å; T197-E199 PolarHBondContact OG1-OE2 3.49Å | ||
| 200 | K | 86.4 | Confident | 84.8 | Confident | 114 Ų | 114 | 67.5 Ų | 67.5 | 50% | 0.496 | 38% | 0.382 | S | S | . | . | trans | -139.9 | 72 | -172 | -78.1 | 157.2 | -174.6 | 160.4 | 0 | 110.5 | F202 H203 G210 F211 | K200-F202 PolarHBondContact O-N 3.35Å; K200-H203 PolarHBondContact O-CE1 3.34Å; K200-H203 PolarHBondContact O-ND1 3.46Å; K200-G210 WeakPolarHBondContact CD-O 3.35Å; K200-F211 CarbonylContact C-O 3.5Å; K200-F211 VanDerWaalsContact C-O 3.3Å; K200-F211 WeakPolarHBondContact CA-O 3.31Å | ||
| 201 | P | 84.7 | Confident | 84.9 | Confident | 61 Ų | 61 | 66.8 Ų | 66.8 | 40% | 0.396 | 37% | 0.373 | S | S | . | . | trans | -56.1 | -31.6 | -172.5 | -26.5 | 35.5 | 0 | 0 | 0 | 113.9 | Y194 H203 | Y194-P201 HydrophobicContact CD2-CG 4.33Å; Y194-P201 HydrophobicContact CE1-CG 4.15Å; Y194-P201 HydrophobicContact CE2-CG 3.88Å; P201-H203 PolarHBondContact O-N 3.26Å; P201-H203 PolarHBondContact O-ND1 3.32Å | ||
| 202 | F | 86.4 | Confident | 85 | Confident | 70 Ų | 70 | 64.3 Ų | 64.3 | 31% | 0.307 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 96.9 | -171.6 | -54.1 | -77.7 | 0 | 0 | 0 | 111.7 | K200 G210 F211 A214 L217 | K200-F202 PolarHBondContact O-N 3.35Å; F202-G210 CarbonylContact O-C 3.59Å; F202-F211 HydrophobicContact CB-CB 4.43Å; F202-F211 WeakPolarHBondContact CB-O 3.4Å; F202-F211 WeakPolarHBondContact CD2-O 3.3Å; F202-F211 PolarHBondContact N-O 3.07Å; F202-F211 VanDerWaalsContact N-O 3.09Å; F202-F211 PolarHBondContact O-N 3.4Å; F202-A214 HydrophobicContact CD1-CB 3.81Å; F202-A214 VanDerWaalsContact CD2-N 3.28Å; F202-A214 HydrophobicContact CE1-CB 3.69Å; F202-A214 HydrophobicContact CE2-CB 4.44Å; F202-A214 HydrophobicContact CG-CB 4.24Å; F202-A214 HydrophobicContact CZ-CB 4.03Å; F202-L217 HydrophobicContact CB-CB 4.07Å; F202-L217 HydrophobicContact CB-CD2 3.89Å |
| 203 | H | 87.8 | Confident | 84.9 | Confident | 111 Ų | 111 | 66.7 Ų | 66.7 | 51% | 0.514 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 142.3 | -178.8 | -69 | 86.3 | 0 | 0 | 0 | 113.7 | K200 P201 L217 | K200-H203 PolarHBondContact O-CE1 3.34Å; K200-H203 PolarHBondContact O-ND1 3.46Å; P201-H203 PolarHBondContact O-N 3.26Å; P201-H203 PolarHBondContact O-ND1 3.32Å; H203-L217 WeakPolarHBondContact O-CD2 3.35Å |
| 204 | C | 89.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.02 | 39% | 0.385 | C | S | . | . | trans | -82.4 | 116.1 | 170.2 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | D206 G208 K209 F211 L217 | C204-D206 PolarHBondContact O-N 2.9Å; C204-D206 PolarHBondContact SG-N 3.3Å; C204-D206 VanDerWaalsContact SG-N 3.42Å; C204-D206 PolarHBondContact SG-OD2 2.81Å; C204-G208 VanDerWaalsContact O-CA 3.25Å; C204-G208 WeakPolarHBondContact O-CA 3.29Å; C204-G208 PolarHBondContact O-N 3.04Å; C204-K209 HydrophobicContact CB-CB 4.42Å; C204-K209 WeakPolarHBondContact CB-O 3.33Å; C204-K209 PolarHBondContact N-O 3.46Å; C204-F211 HydrophobicContact CB-CE2 4.41Å; C204-L217 HydrophobicContact CB-CD1 3.7Å | ||
| 205 | T | 87.7 | Confident | 84.9 | Confident | 106 Ų | 106 | 67.3 Ų | 67.3 | 65% | 0.65 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -33.3 | 171 | 37.5 | 0 | 0 | 0 | 0 | 113.4 | R221 | T205-R221 PolarHBondContact OG1-NH2 3.1Š|
| 206 | D | 86.3 | Confident | 85.1 | Confident | 85 Ų | 85 | 65.3 Ų | 65.3 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -11.9 | -163.7 | -26.8 | -43 | 0 | 0 | 0 | 112.3 | C204 H224 | C204-D206 PolarHBondContact O-N 2.9Å; C204-D206 PolarHBondContact SG-N 3.3Å; C204-D206 VanDerWaalsContact SG-N 3.42Å; C204-D206 PolarHBondContact SG-OD2 2.81Å; D206-H224 HydrophobicContact CB-CB 4.46Å; D206-H224 IonicContact OD2-CD2 3.53Å; D206-H224 PolarHBondContact OD2-CD2 2.97Å; D206-H224 IonicContact OD2-CG 3.45Å |
| 207 | C | 87.8 | Confident | 85.3 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 34% | 0.338 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -158.6 | 17 | 176.6 | 70.6 | 0 | 0 | 0 | 0 | 115.9 | K209 H220 H224 | C207-K209 PolarHBondContact O-N 3.33Å; C207-K209 VanDerWaalsContact SG-CD 3.59Å; C207-H220 PolarHBondContact SG-NE2 2.98Å; C207-H224 PolarHBondContact SG-NE2 3.24Å |
| 208 | G | 84.4 | Confident | 85.4 | Confident | 55 Ų | 55 | 63 Ų | 63 | 57% | 0.567 | 37% | 0.374 | S | S | * | . | trans | 69.7 | -5.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | C204 G210 | C204-G208 VanDerWaalsContact O-CA 3.25Å; C204-G208 WeakPolarHBondContact O-CA 3.29Å; C204-G208 PolarHBondContact O-N 3.04Å; G208-G210 PolarHBondContact O-N 3.35Å | ||
| 209 | K | 87.4 | Confident | 85.6 | Confident | 122 Ų | 122 | 65.9 Ų | 65.9 | 53% | 0.53 | 37% | 0.374 | S | S | . | . | trans | -68.3 | 119.4 | -173.1 | -71.2 | 175.2 | -170.2 | 161.3 | 0 | 112.2 | C204 C207 F211 | C204-K209 HydrophobicContact CB-CB 4.42Å; C204-K209 WeakPolarHBondContact CB-O 3.33Å; C204-K209 PolarHBondContact N-O 3.46Å; C207-K209 PolarHBondContact O-N 3.33Å; C207-K209 VanDerWaalsContact SG-CD 3.59Å; K209-F211 HydrophobicContact CB-CE2 3.94Å; K209-F211 HydrophobicContact CB-CZ 4.17Å; K209-F211 WeakPolarHBondContact O-CD2 3.25Å; K209-F211 WeakPolarHBondContact O-CE2 3.14Å | ||
| 210 | G | 86.4 | Confident | 85.8 | Confident | 21 Ų | 21 | 62 Ų | 62 | 22% | 0.216 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 145.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K200 F202 G208 | K200-G210 WeakPolarHBondContact CD-O 3.35Å; F202-G210 CarbonylContact O-C 3.59Å; G208-G210 PolarHBondContact O-N 3.35Å |
| 211 | F | 85.1 | Confident | 85.8 | Confident | 48 Ų | 48 | 61.1 Ų | 61.1 | 21% | 0.211 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 146.8 | 176.6 | -59.9 | -91.1 | 0 | 0 | 0 | 111 | K200 F202 C204 K209 H213 L217 H220 | K200-F211 CarbonylContact C-O 3.5Å; K200-F211 VanDerWaalsContact C-O 3.3Å; K200-F211 WeakPolarHBondContact CA-O 3.31Å; F202-F211 HydrophobicContact CB-CB 4.43Å; F202-F211 WeakPolarHBondContact CB-O 3.4Å; F202-F211 WeakPolarHBondContact CD2-O 3.3Å; F202-F211 PolarHBondContact N-O 3.07Å; F202-F211 VanDerWaalsContact N-O 3.09Å; F202-F211 PolarHBondContact O-N 3.4Å; C204-F211 HydrophobicContact CB-CE2 4.41Å; K209-F211 HydrophobicContact CB-CE2 3.94Å; K209-F211 HydrophobicContact CB-CZ 4.17Å; K209-F211 WeakPolarHBondContact O-CD2 3.25Å; K209-F211 WeakPolarHBondContact O-CE2 3.14Å; F211-H213 VanDerWaalsContact C-N 3.32Å; F211-H213 PolarHBondContact O-N 2.88Å; F211-L217 HydrophobicContact CB-CB 4.45Å; F211-L217 HydrophobicContact CD2-CB 3.99Å; F211-L217 HydrophobicContact CD2-CD1 3.98Å; F211-L217 HydrophobicContact CE2-CD1 4.13Å; F211-L217 HydrophobicContact CG-CB 4.38Å; F211-H220 HydrophobicContact CE1-CB 4.12Å; F211-H220 HydrophobicContact CE2-CB 3.95Å; F211-H220 AromaticContact CE2-CD2 3.31Å; F211-H220 WeakPolarHBondContact CE2-CD2 3.26Å; F211-H220 AromaticContact CE2-CG 3.77Å; F211-H220 HydrophobicContact CZ-CB 3.55Å; F211-H220 AromaticContact CZ-CD2 3.3Å; F211-H220 WeakPolarHBondContact CZ-CD2 3.27Å; F211-H220 AromaticContact CZ-CG 3.34Å; F211-H220 AromaticContact CZ-NE2 3.96Å |
| 212 | G | 83.4 | Confident | 85.7 | Confident | 17 Ų | 17 | 59 Ų | 59 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -76.8 | -11.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y194 | Y194-G212 WeakPolarHBondContact CD2-O 3.47Š|
| 213 | H | 83.4 | Confident | 85.5 | Confident | 73 Ų | 73 | 60.3 Ų | 60.3 | 34% | 0.338 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -137.2 | 138 | 179.4 | -50.7 | -107.5 | 0 | 0 | 0 | 111.3 | E191 F211 S215 S216 L217 | E191-H213 IonicContact OE1-ND1 2.83Å; E191-H213 PolarHBondContact OE1-ND1 3.12Å; E191-H213 IonicContact OE2-CE1 3.4Å; E191-H213 PolarHBondContact OE2-CE1 3.01Å; E191-H213 IonicContact OE2-ND1 3.38Å; E191-H213 PolarHBondContact OE2-ND1 3.08Å; F211-H213 VanDerWaalsContact C-N 3.32Å; F211-H213 PolarHBondContact O-N 2.88Å; H213-S215 VanDerWaalsContact C-N 3.28Å; H213-S215 PolarHBondContact O-N 2.93Å; H213-S216 WeakPolarHBondContact O-CB 3.38Å; H213-S216 PolarHBondContact O-N 3.37Å; H213-L217 PolarHBondContact O-N 3.2Å |
| 214 | A | 83.7 | Confident | 85.2 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 35% | 0.347 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55.7 | -40.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F202 S216 L217 S218 | F202-A214 HydrophobicContact CD1-CB 3.81Å; F202-A214 VanDerWaalsContact CD2-N 3.28Å; F202-A214 HydrophobicContact CE1-CB 3.69Å; F202-A214 HydrophobicContact CE2-CB 4.44Å; F202-A214 HydrophobicContact CG-CB 4.24Å; F202-A214 HydrophobicContact CZ-CB 4.03Å; A214-S216 PolarHBondContact O-N 3.02Å; A214-L217 PolarHBondContact O-N 3.02Å; A214-L217 VanDerWaalsContact O-N 3.13Å; A214-S218 PolarHBondContact O-N 3.37Å; A214-S218 PolarHBondContact O-OG 2.84Å |
| 215 | S | 84.4 | Confident | 84.8 | Confident | 63 Ų | 63 | 68 Ų | 68 | 44% | 0.441 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.4 | -23.4 | 179.9 | 84.9 | 0 | 0 | 0 | 0 | 113.5 | H213 K219 | H213-S215 VanDerWaalsContact C-N 3.28Å; H213-S215 PolarHBondContact O-N 2.93Å; S215-K219 WeakPolarHBondContact O-CD 3.38Å; S215-K219 WeakPolarHBondContact O-CE 3.47Å; S215-K219 WeakPolarHBondContact O-CG 3.26Å; S215-K219 PolarHBondContact O-N 3.43Å; S215-K219 PolarHBondContact OG-NZ 3.48Å; S215-K219 VanDerWaalsContact OG-NZ 3.16Å |
| 216 | S | 85.6 | Confident | 84.4 | Confident | 40 Ų | 40 | 65.2 Ų | 65.2 | 28% | 0.28 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -79.8 | -38.9 | 175 | -65 | 0 | 0 | 0 | 0 | 111.3 | H213 A214 K219 H220 | H213-S216 WeakPolarHBondContact O-CB 3.38Å; H213-S216 PolarHBondContact O-N 3.37Å; A214-S216 PolarHBondContact O-N 3.02Å; S216-K219 PolarHBondContact O-N 3.3Å; S216-H220 WeakPolarHBondContact O-CB 3.43Å; S216-H220 PolarHBondContact O-N 2.9Å |
| 217 | L | 87.3 | Confident | 84.1 | Confident | 15 Ų | 15 | 65.2 Ų | 65.2 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 170.7 | 173.2 | 60.3 | 0 | 0 | 0 | 111.5 | F202 H203 C204 F211 H213 A214 K219 H220 R221 | F202-L217 HydrophobicContact CB-CB 4.07Å; F202-L217 HydrophobicContact CB-CD2 3.89Å; H203-L217 WeakPolarHBondContact O-CD2 3.35Å; C204-L217 HydrophobicContact CB-CD1 3.7Å; F211-L217 HydrophobicContact CB-CB 4.45Å; F211-L217 HydrophobicContact CD2-CB 3.99Å; F211-L217 HydrophobicContact CD2-CD1 3.98Å; F211-L217 HydrophobicContact CE2-CD1 4.13Å; F211-L217 HydrophobicContact CG-CB 4.38Å; H213-L217 PolarHBondContact O-N 3.2Å; A214-L217 PolarHBondContact O-N 3.02Å; A214-L217 VanDerWaalsContact O-N 3.13Å; L217-K219 PolarHBondContact O-N 2.61Å; L217-H220 WeakPolarHBondContact O-CA 3.38Å; L217-H220 WeakPolarHBondContact O-CB 3.42Å; L217-H220 PolarHBondContact O-N 2.94Å; L217-R221 HydrophobicContact CD1-CG 4.23Å; L217-R221 PolarHBondContact O-N 3.41Å |
| 218 | S | 85.4 | Confident | 83.9 | Confident | 79 Ų | 79 | 69.5 Ų | 69.5 | 55% | 0.552 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.3 | -43.1 | 177.5 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | A214 H220 R221 A222 | A214-S218 PolarHBondContact O-N 3.37Å; A214-S218 PolarHBondContact O-OG 2.84Å; S218-H220 PolarHBondContact O-N 3.16Å; S218-R221 PolarHBondContact O-N 3.24Å; S218-A222 PolarHBondContact O-N 3.29Å |
| 219 | K | 83.3 | Confident | 83.9 | Confident | 104 Ų | 104 | 71.4 Ų | 71.4 | 45% | 0.452 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.7 | -26.5 | 173.2 | -69.3 | 160.6 | -164.3 | 151.2 | 0 | 112.8 | S215 S216 L217 | S215-K219 WeakPolarHBondContact O-CD 3.38Å; S215-K219 WeakPolarHBondContact O-CE 3.47Å; S215-K219 WeakPolarHBondContact O-CG 3.26Å; S215-K219 PolarHBondContact O-N 3.43Å; S215-K219 PolarHBondContact OG-NZ 3.48Å; S215-K219 VanDerWaalsContact OG-NZ 3.16Å; S216-K219 PolarHBondContact O-N 3.3Å; L217-K219 PolarHBondContact O-N 2.61Å |
| 220 | H | 86.1 | Confident | 83.9 | Confident | 24 Ų | 24 | 68 Ų | 68 | 11% | 0.111 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -79.8 | -42.5 | 176.2 | 178 | 51.6 | 0 | 0 | 0 | 112.5 | C207 F211 S216 L217 S218 A222 I223 H224 | C207-H220 PolarHBondContact SG-NE2 2.98Å; F211-H220 HydrophobicContact CE1-CB 4.12Å; F211-H220 HydrophobicContact CE2-CB 3.95Å; F211-H220 AromaticContact CE2-CD2 3.31Å; F211-H220 WeakPolarHBondContact CE2-CD2 3.26Å; F211-H220 AromaticContact CE2-CG 3.77Å; F211-H220 HydrophobicContact CZ-CB 3.55Å; F211-H220 AromaticContact CZ-CD2 3.3Å; F211-H220 WeakPolarHBondContact CZ-CD2 3.27Å; F211-H220 AromaticContact CZ-CG 3.34Å; F211-H220 AromaticContact CZ-NE2 3.96Å; S216-H220 WeakPolarHBondContact O-CB 3.43Å; S216-H220 PolarHBondContact O-N 2.9Å; L217-H220 WeakPolarHBondContact O-CA 3.38Å; L217-H220 WeakPolarHBondContact O-CB 3.42Å; L217-H220 PolarHBondContact O-N 2.94Å; S218-H220 PolarHBondContact O-N 3.16Å; H220-A222 PolarHBondContact O-N 2.91Å; H220-I223 WeakPolarHBondContact O-CA 3.36Å; H220-I223 WeakPolarHBondContact O-CB 3.48Å; H220-I223 WeakPolarHBondContact O-CG1 3.23Å; H220-I223 PolarHBondContact O-N 3.36Å; H220-H224 AromaticContact CE1-NE2 3.63Å; H220-H224 AromaticContact NE2-NE2 3.39Å; H220-H224 PolarHBondContact NE2-NE2 3.46Å |
| 221 | R | 85.3 | Confident | 84.1 | Confident | 95 Ų | 95 | 75.7 Ų | 75.7 | 36% | 0.358 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.8 | -32.8 | 176.1 | -82 | 179.2 | 158 | 163.6 | -4.1 | 113.2 | T205 L217 S218 I223 H224 R225 | T205-R221 PolarHBondContact OG1-NH2 3.1Å; L217-R221 HydrophobicContact CD1-CG 4.23Å; L217-R221 PolarHBondContact O-N 3.41Å; S218-R221 PolarHBondContact O-N 3.24Å; R221-I223 PolarHBondContact O-N 3.41Å; R221-H224 PolarHBondContact O-N 3.18Å; R221-H224 VanDerWaalsContact O-N 3.11Å; R221-R225 PolarHBondContact O-N 2.81Å |
| 222 | A | 83.3 | Confident | 84.5 | Confident | 15 Ų | 15 | 73.5 Ų | 73.5 | 12% | 0.124 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.2 | -27.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S218 H220 G226 E227 | S218-A222 PolarHBondContact O-N 3.29Å; H220-A222 PolarHBondContact O-N 2.91Å; A222-G226 PolarHBondContact O-N 3.46Å; A222-E227 HydrophobicContact CB-CB 4.2Å; A222-E227 PolarHBondContact O-N 3.34Å |
| 223 | I | 81.3 | Confident | 84.7 | Confident | 99 Ų | 99 | 78.2 Ų | 78.2 | 51% | 0.508 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.8 | -44.6 | 175.6 | -54 | 176.2 | 0 | 0 | 0 | 110.6 | H220 R221 R225 G226 T240 | H220-I223 WeakPolarHBondContact O-CA 3.36Å; H220-I223 WeakPolarHBondContact O-CB 3.48Å; H220-I223 WeakPolarHBondContact O-CG1 3.23Å; H220-I223 PolarHBondContact O-N 3.36Å; R221-I223 PolarHBondContact O-N 3.41Å; I223-R225 VanDerWaalsContact C-N 3.34Å; I223-R225 PolarHBondContact O-N 3.42Å; I223-G226 PolarHBondContact O-N 3.15Å; I223-G226 VanDerWaalsContact O-N 3.14Å; I223-T240 HydrophobicContact CG1-CG2 4.29Å |
| 224 | H | 81.7 | Confident | 85 | Confident | 86 Ų | 86 | 80.3 Ų | 80.3 | 40% | 0.398 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 178.9 | -72.1 | -69.4 | 0 | 0 | 0 | 112.5 | D206 C207 H220 R221 G226 | D206-H224 HydrophobicContact CB-CB 4.46Å; D206-H224 IonicContact OD2-CD2 3.53Å; D206-H224 PolarHBondContact OD2-CD2 2.97Å; D206-H224 IonicContact OD2-CG 3.45Å; C207-H224 PolarHBondContact SG-NE2 3.24Å; H220-H224 AromaticContact CE1-NE2 3.63Å; H220-H224 AromaticContact NE2-NE2 3.39Å; H220-H224 PolarHBondContact NE2-NE2 3.46Å; R221-H224 PolarHBondContact O-N 3.18Å; R221-H224 VanDerWaalsContact O-N 3.11Å; H224-G226 PolarHBondContact O-N 3.04Å |
| 225 | R | 80.9 | Confident | 85.4 | Confident | 188 Ų | 188 | 81 Ų | 81 | 71% | 0.709 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -6 | 175.2 | -63.4 | -177.3 | 175.6 | -174.7 | -5 | 114.5 | R221 I223 E227 | R221-R225 PolarHBondContact O-N 2.81Å; I223-R225 VanDerWaalsContact C-N 3.34Å; I223-R225 PolarHBondContact O-N 3.42Å; R225-E227 HydrophobicContact CB-CG 3.86Å; R225-E227 WeakPolarHBondContact CD-OE1 3.43Å; R225-E227 IonicContact CZ-OE1 2.67Å; R225-E227 IonicContact NE-OE1 3.99Å; R225-E227 IonicContact NH1-OE1 3.39Å; R225-E227 PolarHBondContact NH1-OE1 3.32Å; R225-E227 PolarHBondContact O-N 3.2Å; R225-E227 VanDerWaalsContact O-N 3.16Å |
| 226 | G | 79.6 | Confident | 85.4 | Confident | 48 Ų | 48 | 79.4 Ų | 79.4 | 50% | 0.495 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 7.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A222 I223 H224 R228 | A222-G226 PolarHBondContact O-N 3.46Å; I223-G226 PolarHBondContact O-N 3.15Å; I223-G226 VanDerWaalsContact O-N 3.14Å; H224-G226 PolarHBondContact O-N 3.04Å; G226-R228 WeakPolarHBondContact O-CG 3.33Å; G226-R228 PolarHBondContact O-N 3.27Å; G226-R228 VanDerWaalsContact O-N 3.07Å |
| 227 | E | 80.6 | Confident | 85.6 | Confident | 85 Ų | 85 | 85.1 Ų | 85.1 | 40% | 0.397 | 42% | 0.421 | S | S | . | . | trans | -61.8 | 108.2 | -178.9 | -75.3 | 177.3 | -154 | 0 | 0 | 110.3 | A222 R225 P229 T240 | A222-E227 HydrophobicContact CB-CB 4.2Å; A222-E227 PolarHBondContact O-N 3.34Å; R225-E227 HydrophobicContact CB-CG 3.86Å; R225-E227 WeakPolarHBondContact CD-OE1 3.43Å; R225-E227 IonicContact CZ-OE1 2.67Å; R225-E227 IonicContact NE-OE1 3.99Å; R225-E227 IonicContact NH1-OE1 3.39Å; R225-E227 PolarHBondContact NH1-OE1 3.32Å; R225-E227 PolarHBondContact O-N 3.2Å; R225-E227 VanDerWaalsContact O-N 3.16Å; E227-P229 WeakPolarHBondContact O-CD 3.5Å; E227-T240 WeakPolarHBondContact O-CG2 3.48Å | ||
| 228 | R | 82.9 | Confident | 85.6 | Confident | 141 Ų | 141 | 85.6 Ų | 85.6 | 53% | 0.532 | 43% | 0.427 | S | S | . | . | trans | -125.2 | 70.1 | -179.4 | -67.5 | 166 | 78.4 | 153.3 | 3.6 | 110.6 | G226 H230 A238 F239 T240 | G226-R228 WeakPolarHBondContact O-CG 3.33Å; G226-R228 PolarHBondContact O-N 3.27Å; G226-R228 VanDerWaalsContact O-N 3.07Å; R228-H230 PolarHBondContact O-N 3Å; R228-H230 VanDerWaalsContact O-N 3.08Å; R228-A238 HydrophobicContact CB-CB 3.55Å; R228-A238 VanDerWaalsContact CZ-O 3.22Å; R228-A238 PolarHBondContact NE-O 2.85Å; R228-A238 PolarHBondContact NH2-O 3.33Å; R228-F239 CarbonylContact C-O 3.22Å; R228-F239 WeakPolarHBondContact CA-O 3.42Å; R228-T240 HydrophobicContact CG-CG2 3.8Å | ||
| 229 | P | 84.4 | Confident | 85.7 | Confident | 95 Ų | 95 | 83.7 Ų | 83.7 | 62% | 0.617 | 41% | 0.409 | S | S | * | . | trans | -66.9 | -15.1 | -167.8 | -21.1 | 34.7 | 0 | 0 | 0 | 115 | E227 | E227-P229 WeakPolarHBondContact O-CD 3.5Š| ||
| 230 | H | 88.6 | Confident | 85.9 | Confident | 49 Ų | 49 | 81 Ų | 81 | 23% | 0.227 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 92.8 | -173 | -55.2 | -56.5 | 0 | 0 | 0 | 110.6 | R228 A238 F239 R242 L245 | R228-H230 PolarHBondContact O-N 3Å; R228-H230 VanDerWaalsContact O-N 3.08Å; H230-A238 CarbonylContact O-C 3.53Å; H230-F239 HydrophobicContact CB-CB 4.32Å; H230-F239 PolarHBondContact N-O 3.46Å; H230-F239 VanDerWaalsContact N-O 3.12Å; H230-F239 PolarHBondContact O-N 3.26Å; H230-R242 PolarHBondContact CD2-N 3.02Å; H230-R242 PolarHBondContact NE2-N 3.13Å; H230-L245 HydrophobicContact CB-CB 4.09Å; H230-L245 HydrophobicContact CB-CD2 3.85Å |
| 231 | R | 89.7 | Confident | 85.9 | Confident | 184 Ų | 184 | 83.7 Ų | 83.7 | 69% | 0.694 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 135.8 | 179.5 | -152.3 | 175.1 | -168.6 | 179.4 | 1 | 111.8 | G236 A238 | R231-G236 VanDerWaalsContact CG-O 3.25Å; R231-G236 WeakPolarHBondContact CG-O 3.35Å; R231-G236 PolarHBondContact NE-O 2.86Å; R231-A238 HydrophobicContact CG-CB 4.47Å |
| 232 | C | 92.8 | Very high | 86 | Confident | 1 Ų | 1 | 87.7 Ų | 87.7 | 1% | 0.007 | 43% | 0.429 | C | S | . | . | trans | -73.4 | 126.5 | 167.3 | 178.6 | 0 | 0 | 0 | 0 | 109.3 | E234 C235 G236 R237 F239 L245 | C232-E234 VanDerWaalsContact C-N 3.35Å; C232-C235 VanDerWaalsContact SG-SG 3.63Å; C232-G236 VanDerWaalsContact O-CA 3.22Å; C232-G236 WeakPolarHBondContact O-CA 3.37Å; C232-G236 PolarHBondContact O-N 2.94Å; C232-R237 HydrophobicContact CB-CB 4.48Å; C232-R237 WeakPolarHBondContact CB-O 3.31Å; C232-R237 PolarHBondContact N-O 3.36Å; C232-F239 HydrophobicContact CB-CE2 4.49Å; C232-L245 HydrophobicContact CB-CD1 3.71Å | ||
| 233 | P | 89.3 | Confident | 86.3 | Confident | 116 Ų | 116 | 90.2 Ų | 90.2 | 75% | 0.753 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -33.9 | -180 | 26.8 | -33 | 0 | 0 | 0 | 112.3 | ||
| 234 | E | 89.9 | Confident | 86.7 | Confident | 118 Ų | 118 | 87.2 Ų | 87.2 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -36.1 | -170.9 | -65.3 | 179.6 | -111.9 | 0 | 0 | 114.7 | C232 H252 | C232-E234 VanDerWaalsContact C-N 3.35Å; E234-H252 VanDerWaalsContact CB-CE1 3.42Å; E234-H252 WeakPolarHBondContact CB-CE1 3.31Å; E234-H252 WeakPolarHBondContact CB-ND1 3.41Å; E234-H252 WeakPolarHBondContact OE1-CB 3.47Å; E234-H252 IonicContact OE1-CG 3.57Å; E234-H252 IonicContact OE1-ND1 3.58Å; E234-H252 VanDerWaalsContact OE2-CB 3.29Å; E234-H252 WeakPolarHBondContact OE2-CB 3.48Å; E234-H252 IonicContact OE2-CE1 3.71Å; E234-H252 IonicContact OE2-CG 2.74Å; E234-H252 VanDerWaalsContact OE2-CG 3.31Å; E234-H252 IonicContact OE2-ND1 2.74Å; E234-H252 PolarHBondContact OE2-ND1 3.5Å |
| 235 | C | 90.6 | Very high | 87.2 | Confident | 57 Ų | 57 | 84.2 Ų | 84.2 | 39% | 0.385 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 11.1 | 179.6 | 66.4 | 0 | 0 | 0 | 0 | 114.1 | C232 R237 H248 H252 | C232-C235 VanDerWaalsContact SG-SG 3.63Å; C235-R237 PolarHBondContact O-N 2.9Å; C235-H248 PolarHBondContact SG-NE2 3.49Å; C235-H252 PolarHBondContact SG-NE2 3.26Å; C235-H252 VanDerWaalsContact SG-NE2 3.38Å |
| 236 | G | 85.8 | Confident | 87.7 | Confident | 28 Ų | 28 | 78.8 Ų | 78.8 | 29% | 0.289 | 41% | 0.411 | S | S | . | . | trans | 64.7 | -1.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116 | R231 C232 A238 | R231-G236 VanDerWaalsContact CG-O 3.25Å; R231-G236 WeakPolarHBondContact CG-O 3.35Å; R231-G236 PolarHBondContact NE-O 2.86Å; C232-G236 VanDerWaalsContact O-CA 3.22Å; C232-G236 WeakPolarHBondContact O-CA 3.37Å; C232-G236 PolarHBondContact O-N 2.94Å; G236-A238 PolarHBondContact O-N 3.3Å | ||
| 237 | R | 88.1 | Confident | 88.2 | Confident | 161 Ų | 161 | 78.5 Ų | 78.5 | 61% | 0.608 | 40% | 0.401 | S | S | * | . | trans | -65.8 | 128.5 | -177.5 | -75.2 | -177.8 | 169.6 | -177.5 | -2.7 | 111.4 | C232 C235 F239 | C232-R237 HydrophobicContact CB-CB 4.48Å; C232-R237 WeakPolarHBondContact CB-O 3.31Å; C232-R237 PolarHBondContact N-O 3.36Å; C235-R237 PolarHBondContact O-N 2.9Å; R237-F239 HydrophobicContact CB-CE2 3.89Å; R237-F239 HydrophobicContact CB-CZ 4.24Å; R237-F239 WeakPolarHBondContact O-CD2 3.32Å; R237-F239 WeakPolarHBondContact O-CE2 3.5Å | ||
| 238 | A | 89.2 | Confident | 88.8 | Confident | 24 Ų | 24 | 75.3 Ų | 75.3 | 20% | 0.198 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 149.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R228 H230 R231 G236 | R228-A238 HydrophobicContact CB-CB 3.55Å; R228-A238 VanDerWaalsContact CZ-O 3.22Å; R228-A238 PolarHBondContact NE-O 2.85Å; R228-A238 PolarHBondContact NH2-O 3.33Å; H230-A238 CarbonylContact O-C 3.53Å; R231-A238 HydrophobicContact CG-CB 4.47Å; G236-A238 PolarHBondContact O-N 3.3Å |
| 239 | F | 87.3 | Confident | 89.2 | Confident | 40 Ų | 40 | 71 Ų | 71 | 18% | 0.175 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145 | -177.9 | -63.1 | -93.2 | 0 | 0 | 0 | 111.6 | R228 H230 C232 R237 Q241 A244 L245 H248 | R228-F239 CarbonylContact C-O 3.22Å; R228-F239 WeakPolarHBondContact CA-O 3.42Å; H230-F239 HydrophobicContact CB-CB 4.32Å; H230-F239 PolarHBondContact N-O 3.46Å; H230-F239 VanDerWaalsContact N-O 3.12Å; H230-F239 PolarHBondContact O-N 3.26Å; C232-F239 HydrophobicContact CB-CE2 4.49Å; R237-F239 HydrophobicContact CB-CE2 3.89Å; R237-F239 HydrophobicContact CB-CZ 4.24Å; R237-F239 WeakPolarHBondContact O-CD2 3.32Å; R237-F239 WeakPolarHBondContact O-CE2 3.5Å; F239-Q241 VanDerWaalsContact C-N 3.28Å; F239-Q241 PolarHBondContact O-N 3.39Å; F239-A244 HydrophobicContact CB-CB 4.32Å; F239-A244 HydrophobicContact CD1-CB 3.85Å; F239-A244 HydrophobicContact CG-CB 4.39Å; F239-L245 HydrophobicContact CB-CB 4.32Å; F239-L245 HydrophobicContact CD2-CB 4.04Å; F239-L245 HydrophobicContact CD2-CD1 4.01Å; F239-L245 HydrophobicContact CE2-CD1 4.2Å; F239-L245 HydrophobicContact CG-CB 4.28Å; F239-H248 HydrophobicContact CE1-CB 4.1Å; F239-H248 HydrophobicContact CE2-CB 4.19Å; F239-H248 AromaticContact CE2-CD2 3.19Å; F239-H248 WeakPolarHBondContact CE2-CD2 3.28Å; F239-H248 AromaticContact CE2-CG 3.87Å; F239-H248 AromaticContact CE2-NE2 3.95Å; F239-H248 HydrophobicContact CZ-CB 3.66Å; F239-H248 AromaticContact CZ-CD2 3.22Å; F239-H248 WeakPolarHBondContact CZ-CD2 3.44Å; F239-H248 AromaticContact CZ-CG 3.43Å; F239-H248 VanDerWaalsContact CZ-CG 3.43Å; F239-H248 AromaticContact CZ-NE2 3.95Å |
| 240 | T | 86.5 | Confident | 89.6 | Confident | 47 Ų | 47 | 68.9 Ų | 68.9 | 29% | 0.288 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -75 | -15.1 | 176 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | I223 E227 R228 | I223-T240 HydrophobicContact CG1-CG2 4.29Å; E227-T240 WeakPolarHBondContact O-CG2 3.48Å; R228-T240 HydrophobicContact CG-CG2 3.8Å |
| 241 | Q | 85.9 | Confident | 89.7 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -139.3 | 137.4 | -178.2 | -59.4 | -176.4 | 16.7 | 0 | 0 | 111.7 | F239 S243 A244 L245 | F239-Q241 VanDerWaalsContact C-N 3.28Å; F239-Q241 PolarHBondContact O-N 3.39Å; Q241-S243 VanDerWaalsContact C-N 3.29Å; Q241-S243 PolarHBondContact O-N 3.47Å; Q241-S243 PolarHBondContact OE1-OG 3.4Å; Q241-A244 HydrophobicContact CB-CB 4.4Å; Q241-A244 WeakPolarHBondContact O-CB 3.44Å; Q241-A244 PolarHBondContact O-N 3.47Å; Q241-A244 VanDerWaalsContact O-N 3.1Å; Q241-L245 PolarHBondContact O-N 3.09Å |
| 242 | R | 88.3 | Confident | 89.8 | Confident | 179 Ų | 179 | 66 Ų | 66 | 68% | 0.675 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.9 | -39 | 178.8 | -171.9 | -178.4 | -69.8 | 173.1 | -2.6 | 112.2 | H230 A244 L245 T246 | H230-R242 PolarHBondContact CD2-N 3.02Å; H230-R242 PolarHBondContact NE2-N 3.13Å; R242-A244 VanDerWaalsContact C-N 3.29Å; R242-A244 PolarHBondContact O-N 3.5Å; R242-L245 WeakPolarHBondContact O-CB 3.48Å; R242-L245 PolarHBondContact O-N 3.06Å; R242-T246 PolarHBondContact O-N 3.14Å; R242-T246 PolarHBondContact O-OG1 2.59Å; R242-T246 VanDerWaalsContact O-OG1 3.11Å |
| 243 | S | 88.7 | Confident | 89.7 | Confident | 68 Ų | 68 | 70 Ų | 70 | 48% | 0.476 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58 | -37.2 | 175.1 | 49.1 | 0 | 0 | 0 | 0 | 113.4 | Q241 S247 | Q241-S243 VanDerWaalsContact C-N 3.29Å; Q241-S243 PolarHBondContact O-N 3.47Å; Q241-S243 PolarHBondContact OE1-OG 3.4Å; S243-S247 WeakPolarHBondContact O-CB 3.25Å; S243-S247 PolarHBondContact O-N 3.09Å; S243-S247 PolarHBondContact O-OG 3.03Å |
| 244 | A | 89.3 | Confident | 89.7 | Confident | 37 Ų | 37 | 66.4 Ų | 66.4 | 31% | 0.306 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.7 | -39.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F239 Q241 R242 S247 H248 | F239-A244 HydrophobicContact CB-CB 4.32Å; F239-A244 HydrophobicContact CD1-CB 3.85Å; F239-A244 HydrophobicContact CG-CB 4.39Å; Q241-A244 HydrophobicContact CB-CB 4.4Å; Q241-A244 WeakPolarHBondContact O-CB 3.44Å; Q241-A244 PolarHBondContact O-N 3.47Å; Q241-A244 VanDerWaalsContact O-N 3.1Å; R242-A244 VanDerWaalsContact C-N 3.29Å; R242-A244 PolarHBondContact O-N 3.5Å; A244-S247 PolarHBondContact O-N 3.33Å; A244-H248 WeakPolarHBondContact O-CB 3.32Å; A244-H248 PolarHBondContact O-N 3.22Å |
| 245 | L | 92.3 | Very high | 89.8 | Confident | 22 Ų | 22 | 65.6 Ų | 65.6 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61 | -51.6 | 171.2 | 173.2 | 59.3 | 0 | 0 | 0 | 111.3 | H230 C232 F239 Q241 R242 S247 H248 L249 | H230-L245 HydrophobicContact CB-CB 4.09Å; H230-L245 HydrophobicContact CB-CD2 3.85Å; C232-L245 HydrophobicContact CB-CD1 3.71Å; F239-L245 HydrophobicContact CB-CB 4.32Å; F239-L245 HydrophobicContact CD2-CB 4.04Å; F239-L245 HydrophobicContact CD2-CD1 4.01Å; F239-L245 HydrophobicContact CE2-CD1 4.2Å; F239-L245 HydrophobicContact CG-CB 4.28Å; Q241-L245 PolarHBondContact O-N 3.09Å; R242-L245 WeakPolarHBondContact O-CB 3.48Å; R242-L245 PolarHBondContact O-N 3.06Å; L245-S247 VanDerWaalsContact C-N 3.25Å; L245-S247 PolarHBondContact O-N 3.33Å; L245-H248 CarbonylContact O-C 3.17Å; L245-H248 WeakPolarHBondContact O-CA 3.17Å; L245-H248 WeakPolarHBondContact O-CB 3.34Å; L245-H248 PolarHBondContact O-N 2.77Å; L245-L249 HydrophobicContact CD1-CD2 4.21Å; L245-L249 HydrophobicContact CD1-CG 4.12Å; L245-L249 HydrophobicContact CG-CD1 4.44Å; L245-L249 HydrophobicContact CG-CG 4.49Å; L245-L249 WeakPolarHBondContact O-CG 3.39Å; L245-L249 PolarHBondContact O-N 2.83Å |
| 246 | T | 91.2 | Very high | 89.9 | Confident | 75 Ų | 75 | 68.5 Ų | 68.5 | 46% | 0.46 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.6 | -38.5 | 178.1 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | R242 H248 | R242-T246 PolarHBondContact O-N 3.14Å; R242-T246 PolarHBondContact O-OG1 2.59Å; R242-T246 VanDerWaalsContact O-OG1 3.11Å; T246-H248 VanDerWaalsContact C-N 3.31Å; T246-H248 PolarHBondContact O-N 2.85Å |
| 247 | S | 91.1 | Very high | 90.1 | Very high | 41 Ų | 41 | 69.7 Ų | 69.7 | 29% | 0.287 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -70.9 | -26.5 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 113.1 | S243 A244 L245 | S243-S247 WeakPolarHBondContact O-CB 3.25Å; S243-S247 PolarHBondContact O-N 3.09Å; S243-S247 PolarHBondContact O-OG 3.03Å; A244-S247 PolarHBondContact O-N 3.33Å; L245-S247 VanDerWaalsContact C-N 3.25Å; L245-S247 PolarHBondContact O-N 3.33Å |
| 248 | H | 92.3 | Very high | 90.4 | Very high | 19 Ų | 19 | 65.6 Ų | 65.6 | 9% | 0.088 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -80.9 | -34.7 | 176.6 | 164.9 | 47.3 | 0 | 0 | 0 | 113 | C235 F239 A244 L245 T246 R250 V251 H252 | C235-H248 PolarHBondContact SG-NE2 3.49Å; F239-H248 HydrophobicContact CE1-CB 4.1Å; F239-H248 HydrophobicContact CE2-CB 4.19Å; F239-H248 AromaticContact CE2-CD2 3.19Å; F239-H248 WeakPolarHBondContact CE2-CD2 3.28Å; F239-H248 AromaticContact CE2-CG 3.87Å; F239-H248 AromaticContact CE2-NE2 3.95Å; F239-H248 HydrophobicContact CZ-CB 3.66Å; F239-H248 AromaticContact CZ-CD2 3.22Å; F239-H248 WeakPolarHBondContact CZ-CD2 3.44Å; F239-H248 AromaticContact CZ-CG 3.43Å; F239-H248 VanDerWaalsContact CZ-CG 3.43Å; F239-H248 AromaticContact CZ-NE2 3.95Å; A244-H248 WeakPolarHBondContact O-CB 3.32Å; A244-H248 PolarHBondContact O-N 3.22Å; L245-H248 CarbonylContact O-C 3.17Å; L245-H248 WeakPolarHBondContact O-CA 3.17Å; L245-H248 WeakPolarHBondContact O-CB 3.34Å; L245-H248 PolarHBondContact O-N 2.77Å; T246-H248 VanDerWaalsContact C-N 3.31Å; T246-H248 PolarHBondContact O-N 2.85Å; H248-R250 PolarHBondContact O-N 2.86Å; H248-R250 VanDerWaalsContact O-N 3.11Å; H248-V251 WeakPolarHBondContact O-CB 3.36Å; H248-V251 VanDerWaalsContact O-CG2 3.31Å; H248-V251 WeakPolarHBondContact O-CG2 3.43Å; H248-V251 PolarHBondContact O-N 3.09Å; H248-H252 AromaticContact CE1-CD2 3.77Å; H248-H252 AromaticContact CE1-NE2 3.47Å; H248-H252 PolarHBondContact CE1-NE2 3.12Å; H248-H252 AromaticContact NE2-NE2 3.71Å |
| 249 | L | 92.1 | Very high | 90.6 | Very high | 51 Ų | 51 | 66.5 Ų | 66.5 | 27% | 0.267 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.4 | -26.9 | 176.2 | -67.8 | 173.4 | 0 | 0 | 0 | 112.4 | L245 V251 H252 T253 | L245-L249 HydrophobicContact CD1-CD2 4.21Å; L245-L249 HydrophobicContact CD1-CG 4.12Å; L245-L249 HydrophobicContact CG-CD1 4.44Å; L245-L249 HydrophobicContact CG-CG 4.49Å; L245-L249 WeakPolarHBondContact O-CG 3.39Å; L245-L249 PolarHBondContact O-N 2.83Å; L249-V251 PolarHBondContact O-N 2.94Å; L249-V251 VanDerWaalsContact O-N 3.16Å; L249-H252 WeakPolarHBondContact O-CA 3.44Å; L249-H252 WeakPolarHBondContact O-CB 3.25Å; L249-H252 PolarHBondContact O-N 2.97Å; L249-T253 PolarHBondContact O-N 2.9Å; L249-T253 PolarHBondContact O-OG1 2.84Å |
| 250 | R | 92.6 | Very high | 91 | Very high | 50 Ų | 50 | 64.8 Ų | 64.8 | 19% | 0.189 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.5 | 171.5 | -60.3 | -176 | 179.2 | 151.5 | 5.1 | 115 | H248 H252 G254 E255 Y258 S268 | H248-R250 PolarHBondContact O-N 2.86Å; H248-R250 VanDerWaalsContact O-N 3.11Å; R250-H252 VanDerWaalsContact C-N 3.32Å; R250-G254 CarbonylContact O-C 3.54Å; R250-G254 WeakPolarHBondContact O-CA 3.49Å; R250-G254 PolarHBondContact O-N 2.75Å; R250-E255 HydrophobicContact CB-CB 4.15Å; R250-E255 HydrophobicContact CG-CB 3.98Å; R250-E255 IonicContact NE-OE2 3.71Å; R250-E255 PolarHBondContact O-N 3.36Å; R250-Y258 PolarHBondContact NH1-OH 3Å; R250-S268 WeakPolarHBondContact CD-O 3.46Å; R250-S268 PolarHBondContact NH1-O 3.42Å |
| 251 | V | 91.5 | Very high | 91.2 | Very high | 106 Ų | 106 | 67.3 Ų | 67.3 | 64% | 0.642 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -31.3 | 170.4 | -179 | 0 | 0 | 0 | 0 | 110.6 | H248 L249 | H248-V251 WeakPolarHBondContact O-CB 3.36Å; H248-V251 VanDerWaalsContact O-CG2 3.31Å; H248-V251 WeakPolarHBondContact O-CG2 3.43Å; H248-V251 PolarHBondContact O-N 3.09Å; L249-V251 PolarHBondContact O-N 2.94Å; L249-V251 VanDerWaalsContact O-N 3.16Å |
| 252 | H | 90.9 | Very high | 91.4 | Very high | 66 Ų | 66 | 68 Ų | 68 | 31% | 0.306 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -52.5 | -179.6 | -70.9 | -100.5 | 0 | 0 | 0 | 111.6 | E234 C235 H248 L249 R250 G254 | E234-H252 VanDerWaalsContact CB-CE1 3.42Å; E234-H252 WeakPolarHBondContact CB-CE1 3.31Å; E234-H252 WeakPolarHBondContact CB-ND1 3.41Å; E234-H252 WeakPolarHBondContact OE1-CB 3.47Å; E234-H252 IonicContact OE1-CG 3.57Å; E234-H252 IonicContact OE1-ND1 3.58Å; E234-H252 VanDerWaalsContact OE2-CB 3.29Å; E234-H252 WeakPolarHBondContact OE2-CB 3.48Å; E234-H252 IonicContact OE2-CE1 3.71Å; E234-H252 IonicContact OE2-CG 2.74Å; E234-H252 VanDerWaalsContact OE2-CG 3.31Å; E234-H252 IonicContact OE2-ND1 2.74Å; E234-H252 PolarHBondContact OE2-ND1 3.5Å; C235-H252 PolarHBondContact SG-NE2 3.26Å; C235-H252 VanDerWaalsContact SG-NE2 3.38Å; H248-H252 AromaticContact CE1-CD2 3.77Å; H248-H252 AromaticContact CE1-NE2 3.47Å; H248-H252 PolarHBondContact CE1-NE2 3.12Å; H248-H252 AromaticContact NE2-NE2 3.71Å; L249-H252 WeakPolarHBondContact O-CA 3.44Å; L249-H252 WeakPolarHBondContact O-CB 3.25Å; L249-H252 PolarHBondContact O-N 2.97Å; R250-H252 VanDerWaalsContact C-N 3.32Å; H252-G254 PolarHBondContact O-N 3.42Å |
| 253 | T | 90.4 | Very high | 91.6 | Very high | 84 Ų | 84 | 62 Ų | 62 | 52% | 0.515 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -70.9 | -9.4 | 177.5 | 64.3 | 0 | 0 | 0 | 0 | 113.8 | L249 E255 | L249-T253 PolarHBondContact O-N 2.9Å; L249-T253 PolarHBondContact O-OG1 2.84Å; T253-E255 PolarHBondContact O-N 2.92Å; T253-E255 VanDerWaalsContact O-N 3.15Å; T253-E255 WeakPolarHBondContact OG1-CB 3.3Å; T253-E255 WeakPolarHBondContact OG1-CG 3.4Å |
| 254 | G | 89.8 | Confident | 91.7 | Very high | 42 Ų | 42 | 61.4 Ų | 61.4 | 43% | 0.433 | 38% | 0.379 | S | S | . | . | trans | 69.4 | 2.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R250 H252 K256 | R250-G254 CarbonylContact O-C 3.54Å; R250-G254 WeakPolarHBondContact O-CA 3.49Å; R250-G254 PolarHBondContact O-N 2.75Å; H252-G254 PolarHBondContact O-N 3.42Å; G254-K256 PolarHBondContact O-N 3.18Å | ||
| 255 | E | 91.3 | Very high | 91.8 | Very high | 101 Ų | 101 | 67.4 Ų | 67.4 | 47% | 0.472 | 39% | 0.393 | S | S | . | . | trans | -54.5 | 128.1 | -174.9 | -88.8 | 179.4 | -155 | 0 | 0 | 113.4 | R250 T253 S268 | R250-E255 HydrophobicContact CB-CB 4.15Å; R250-E255 HydrophobicContact CG-CB 3.98Å; R250-E255 IonicContact NE-OE2 3.71Å; R250-E255 PolarHBondContact O-N 3.36Å; T253-E255 PolarHBondContact O-N 2.92Å; T253-E255 VanDerWaalsContact O-N 3.15Å; T253-E255 WeakPolarHBondContact OG1-CB 3.3Å; T253-E255 WeakPolarHBondContact OG1-CG 3.4Å; E255-S268 VanDerWaalsContact O-CB 3.28Å; E255-S268 WeakPolarHBondContact O-CB 3.41Å | ||
| 256 | K | 92.7 | Very high | 91.9 | Very high | 117 Ų | 117 | 73.8 Ų | 73.8 | 51% | 0.509 | 42% | 0.416 | S | S | . | . | trans | -128.2 | 78.2 | 176.5 | -69.9 | 158.6 | -172.9 | 170 | 0 | 110.4 | G254 Y258 R266 F267 | G254-K256 PolarHBondContact O-N 3.18Å; K256-Y258 VanDerWaalsContact C-N 3.3Å; K256-Y258 PolarHBondContact O-N 3.26Å; K256-R266 HydrophobicContact CB-CB 3.59Å; K256-R266 PolarHBondContact O-NE 2.75Å; K256-R266 PolarHBondContact O-NH2 3.2Å; K256-F267 CarbonylContact C-O 3.04Å; K256-F267 VanDerWaalsContact CA-O 3.23Å; K256-F267 WeakPolarHBondContact CA-O 3.5Å | ||
| 257 | P | 91.6 | Very high | 91.9 | Very high | 53 Ų | 53 | 72.4 Ų | 72.4 | 34% | 0.344 | 40% | 0.404 | S | S | . | . | trans | -63.9 | -32.8 | -174.9 | -23.4 | 35.4 | 0 | 0 | 0 | 113.5 | F267 | P257-F267 WeakPolarHBondContact CD-O 3.47Š| ||
| 258 | Y | 94.2 | Very high | 91.9 | Very high | 76 Ų | 76 | 72.2 Ų | 72.2 | 30% | 0.298 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 106.2 | -167.6 | -48.8 | -77.8 | 0 | 0 | 0 | 111 | R250 K256 R266 F267 S268 S270 | R250-Y258 PolarHBondContact NH1-OH 3Å; K256-Y258 VanDerWaalsContact C-N 3.3Å; K256-Y258 PolarHBondContact O-N 3.26Å; Y258-R266 CarbonylContact O-C 3.59Å; Y258-R266 WeakPolarHBondContact O-CA 3.41Å; Y258-F267 WeakPolarHBondContact CD2-O 3.43Å; Y258-F267 PolarHBondContact N-O 2.86Å; Y258-F267 VanDerWaalsContact N-O 3.1Å; Y258-F267 PolarHBondContact O-N 3.47Å; Y258-S268 WeakPolarHBondContact CE2-O 3.32Å; Y258-S270 VanDerWaalsContact CD2-N 3.31Å |
| 259 | G | 93.1 | Very high | 91.9 | Very high | 42 Ų | 42 | 75.4 Ų | 75.4 | 43% | 0.433 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 142.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L273 | G259-L273 VanDerWaalsContact O-CD2 3.27Å; G259-L273 WeakPolarHBondContact O-CD2 3.22Å |
| 260 | C | 94.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 76.3 Ų | 76.3 | 3% | 0.027 | 43% | 0.428 | C | S | . | . | trans | -82.7 | 121.7 | 166 | -162.8 | 0 | 0 | 0 | 0 | 109 | D262 G264 R265 F267 L273 H280 | C260-D262 VanDerWaalsContact C-N 3.29Å; C260-D262 PolarHBondContact O-N 2.86Å; C260-D262 PolarHBondContact SG-OD2 3.38Å; C260-G264 VanDerWaalsContact O-CA 3.26Å; C260-G264 WeakPolarHBondContact O-CA 3.4Å; C260-G264 PolarHBondContact O-N 3.5Å; C260-R265 HydrophobicContact CB-CB 4.46Å; C260-R265 WeakPolarHBondContact CB-O 3.48Å; C260-R265 PolarHBondContact N-O 3.11Å; C260-F267 HydrophobicContact CB-CE2 4.48Å; C260-L273 HydrophobicContact CB-CD1 3.67Å; C260-H280 PolarHBondContact SG-NE2 3.43Å | ||
| 261 | A | 91.9 | Very high | 91.7 | Very high | 100 Ų | 100 | 76.5 Ų | 76.5 | 83% | 0.826 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -40.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | C263 | A261-C263 VanDerWaalsContact C-N 3.29Å; A261-C263 PolarHBondContact O-N 3.45Å |
| 262 | D | 90.2 | Very high | 91.6 | Very high | 96 Ų | 96 | 72.9 Ų | 72.9 | 51% | 0.513 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.2 | -169.5 | -29.6 | -75.9 | 0 | 0 | 0 | 113.9 | C260 H280 | C260-D262 VanDerWaalsContact C-N 3.29Å; C260-D262 PolarHBondContact O-N 2.86Å; C260-D262 PolarHBondContact SG-OD2 3.38Å; D262-H280 IonicContact OD2-CD2 3.69Å; D262-H280 PolarHBondContact OD2-CD2 3.07Å; D262-H280 IonicContact OD2-NE2 3.98Å |
| 263 | C | 92.1 | Very high | 91.7 | Very high | 53 Ų | 53 | 71.1 Ų | 71.1 | 36% | 0.358 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.3 | 11.1 | -176.6 | 72.7 | 0 | 0 | 0 | 0 | 115.4 | A261 R265 H276 H280 | A261-C263 VanDerWaalsContact C-N 3.29Å; A261-C263 PolarHBondContact O-N 3.45Å; C263-R265 PolarHBondContact O-N 3.48Å; C263-H276 PolarHBondContact SG-NE2 3.32Å; C263-H280 WeakPolarHBondContact CB-CE1 3.43Å; C263-H280 PolarHBondContact SG-CE1 3.27Å; C263-H280 PolarHBondContact SG-NE2 3.19Å |
| 264 | G | 90.2 | Very high | 91.7 | Very high | 55 Ų | 55 | 73.5 Ų | 73.5 | 57% | 0.567 | 41% | 0.411 | S | S | * | . | trans | 66.9 | -7.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | C260 R266 | C260-G264 VanDerWaalsContact O-CA 3.26Å; C260-G264 WeakPolarHBondContact O-CA 3.4Å; C260-G264 PolarHBondContact O-N 3.5Å; G264-R266 WeakPolarHBondContact O-CG 3.2Å; G264-R266 PolarHBondContact O-N 3.01Å | ||
| 265 | R | 92.3 | Very high | 91.6 | Very high | 162 Ų | 162 | 75.8 Ų | 75.8 | 61% | 0.611 | 41% | 0.41 | S | S | * | . | trans | -60.7 | 132.6 | -178.1 | -76.3 | -176.3 | 167.8 | -173.9 | -1.4 | 111.7 | C260 C263 F267 | C260-R265 HydrophobicContact CB-CB 4.46Å; C260-R265 WeakPolarHBondContact CB-O 3.48Å; C260-R265 PolarHBondContact N-O 3.11Å; C263-R265 PolarHBondContact O-N 3.48Å; R265-F267 HydrophobicContact CB-CE2 3.84Å; R265-F267 HydrophobicContact CB-CZ 4.07Å; R265-F267 WeakPolarHBondContact O-CE2 3.45Å | ||
| 266 | R | 93.1 | Very high | 91.6 | Very high | 157 Ų | 157 | 71.5 Ų | 71.5 | 59% | 0.592 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 141.6 | -176.9 | -54.2 | -175.6 | 63.7 | 145.4 | 2.9 | 112.6 | K256 Y258 G264 | K256-R266 HydrophobicContact CB-CB 3.59Å; K256-R266 PolarHBondContact O-NE 2.75Å; K256-R266 PolarHBondContact O-NH2 3.2Å; Y258-R266 CarbonylContact O-C 3.59Å; Y258-R266 WeakPolarHBondContact O-CA 3.41Å; G264-R266 WeakPolarHBondContact O-CG 3.2Å; G264-R266 PolarHBondContact O-N 3.01Å |
| 267 | F | 91.9 | Very high | 91.4 | Very high | 45 Ų | 45 | 72.3 Ų | 72.3 | 20% | 0.197 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 148.9 | -174.7 | -58.9 | -92.3 | 0 | 0 | 0 | 111.4 | K256 P257 Y258 C260 R265 Q269 A272 L273 H276 | K256-F267 CarbonylContact C-O 3.04Å; K256-F267 VanDerWaalsContact CA-O 3.23Å; K256-F267 WeakPolarHBondContact CA-O 3.5Å; P257-F267 WeakPolarHBondContact CD-O 3.47Å; Y258-F267 WeakPolarHBondContact CD2-O 3.43Å; Y258-F267 PolarHBondContact N-O 2.86Å; Y258-F267 VanDerWaalsContact N-O 3.1Å; Y258-F267 PolarHBondContact O-N 3.47Å; C260-F267 HydrophobicContact CB-CE2 4.48Å; R265-F267 HydrophobicContact CB-CE2 3.84Å; R265-F267 HydrophobicContact CB-CZ 4.07Å; R265-F267 WeakPolarHBondContact O-CE2 3.45Å; F267-Q269 VanDerWaalsContact C-N 3.34Å; F267-A272 HydrophobicContact CB-CB 4.3Å; F267-A272 HydrophobicContact CD1-CB 3.92Å; F267-A272 HydrophobicContact CG-CB 4.39Å; F267-L273 HydrophobicContact CB-CB 4.39Å; F267-L273 HydrophobicContact CD2-CB 3.98Å; F267-L273 HydrophobicContact CD2-CD1 3.97Å; F267-L273 HydrophobicContact CE2-CD1 4.12Å; F267-L273 HydrophobicContact CG-CB 4.31Å; F267-H276 HydrophobicContact CE1-CB 4.07Å; F267-H276 HydrophobicContact CE2-CB 4.06Å; F267-H276 AromaticContact CE2-CD2 3.38Å; F267-H276 WeakPolarHBondContact CE2-CD2 3.35Å; F267-H276 AromaticContact CE2-CG 3.92Å; F267-H276 HydrophobicContact CZ-CB 3.59Å; F267-H276 AromaticContact CZ-CD2 3.26Å; F267-H276 WeakPolarHBondContact CZ-CD2 3.24Å; F267-H276 AromaticContact CZ-CG 3.42Å; F267-H276 VanDerWaalsContact CZ-CG 3.42Å |
| 268 | S | 91.9 | Very high | 91.2 | Very high | 37 Ų | 37 | 71.4 Ų | 71.4 | 26% | 0.259 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -81 | -13 | 176.7 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | R250 E255 Y258 | R250-S268 WeakPolarHBondContact CD-O 3.46Å; R250-S268 PolarHBondContact NH1-O 3.42Å; E255-S268 VanDerWaalsContact O-CB 3.28Å; E255-S268 WeakPolarHBondContact O-CB 3.41Å; Y258-S268 WeakPolarHBondContact CE2-O 3.32Å |
| 269 | Q | 90.9 | Very high | 90.9 | Very high | 87 Ų | 87 | 72.2 Ų | 72.2 | 41% | 0.407 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -133.8 | 141.8 | 178.6 | -58.7 | -176.5 | 8.1 | 0 | 0 | 111.1 | F267 S271 A272 L273 | F267-Q269 VanDerWaalsContact C-N 3.34Å; Q269-S271 PolarHBondContact OE1-OG 3.19Å; Q269-A272 HydrophobicContact CB-CB 4.39Å; Q269-A272 PolarHBondContact O-N 3.39Å; Q269-L273 PolarHBondContact O-N 2.8Å |
| 270 | S | 91.4 | Very high | 90.6 | Very high | 69 Ų | 69 | 74.7 Ų | 74.7 | 48% | 0.483 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.7 | -33 | 178.5 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | Y258 A272 L273 Y274 | Y258-S270 VanDerWaalsContact CD2-N 3.31Å; S270-A272 VanDerWaalsContact C-N 3.33Å; S270-A272 PolarHBondContact O-N 3.16Å; S270-L273 PolarHBondContact O-N 3.48Å; S270-Y274 PolarHBondContact O-N 3.09Å |
| 271 | S | 89.3 | Confident | 90.2 | Very high | 54 Ų | 54 | 77.6 Ų | 77.6 | 38% | 0.378 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -56.2 | -44.7 | 171.6 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | Q269 Y274 Q275 | Q269-S271 PolarHBondContact OE1-OG 3.19Å; S271-Y274 PolarHBondContact O-N 2.95Å; S271-Q275 WeakPolarHBondContact O-CB 3.34Å; S271-Q275 VanDerWaalsContact O-CG 3.31Å; S271-Q275 WeakPolarHBondContact O-CG 3.19Å; S271-Q275 PolarHBondContact O-N 3.29Å |
| 272 | A | 90.3 | Very high | 89.8 | Confident | 30 Ų | 30 | 75.2 Ų | 75.2 | 25% | 0.248 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -68.1 | -36.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F267 Q269 S270 H276 | F267-A272 HydrophobicContact CB-CB 4.3Å; F267-A272 HydrophobicContact CD1-CB 3.92Å; F267-A272 HydrophobicContact CG-CB 4.39Å; Q269-A272 HydrophobicContact CB-CB 4.39Å; Q269-A272 PolarHBondContact O-N 3.39Å; S270-A272 VanDerWaalsContact C-N 3.33Å; S270-A272 PolarHBondContact O-N 3.16Å; A272-H276 VanDerWaalsContact O-CB 3.3Å; A272-H276 WeakPolarHBondContact O-CB 3.45Å; A272-H276 PolarHBondContact O-N 3.31Å |
| 273 | L | 92.4 | Very high | 89.7 | Confident | 29 Ų | 29 | 75 Ų | 75 | 15% | 0.152 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.1 | -48.4 | 171.2 | 171.8 | 60.9 | 0 | 0 | 0 | 111.6 | G259 C260 F267 Q269 S270 Q275 H276 R277 | G259-L273 VanDerWaalsContact O-CD2 3.27Å; G259-L273 WeakPolarHBondContact O-CD2 3.22Å; C260-L273 HydrophobicContact CB-CD1 3.67Å; F267-L273 HydrophobicContact CB-CB 4.39Å; F267-L273 HydrophobicContact CD2-CB 3.98Å; F267-L273 HydrophobicContact CD2-CD1 3.97Å; F267-L273 HydrophobicContact CE2-CD1 4.12Å; F267-L273 HydrophobicContact CG-CB 4.31Å; Q269-L273 PolarHBondContact O-N 2.8Å; S270-L273 PolarHBondContact O-N 3.48Å; L273-Q275 VanDerWaalsContact C-N 3.31Å; L273-Q275 PolarHBondContact O-N 3.37Å; L273-H276 WeakPolarHBondContact O-CB 3.5Å; L273-H276 PolarHBondContact O-N 3.38Å; L273-H276 VanDerWaalsContact O-N 3.09Å; L273-R277 HydrophobicContact CD1-CG 4.46Å; L273-R277 PolarHBondContact O-N 2.99Å |
| 274 | Y | 89.9 | Confident | 89.5 | Confident | 134 Ų | 134 | 75.8 Ų | 75.8 | 53% | 0.525 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 178.7 | 173.3 | -97.5 | 0 | 0 | 0 | 111.7 | S270 S271 R277 R278 | S270-Y274 PolarHBondContact O-N 3.09Å; S271-Y274 PolarHBondContact O-N 2.95Å; Y274-R277 PolarHBondContact O-N 3.21Å; Y274-R278 PolarHBondContact OH-NH2 3.11Å |
| 275 | Q | 88.6 | Confident | 89.5 | Confident | 90 Ų | 90 | 76 Ų | 76 | 42% | 0.421 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 172.3 | -74.9 | 174.3 | 6.3 | 0 | 0 | 112.5 | S271 L273 R277 R278 Y297 | S271-Q275 WeakPolarHBondContact O-CB 3.34Å; S271-Q275 VanDerWaalsContact O-CG 3.31Å; S271-Q275 WeakPolarHBondContact O-CG 3.19Å; S271-Q275 PolarHBondContact O-N 3.29Å; L273-Q275 VanDerWaalsContact C-N 3.31Å; L273-Q275 PolarHBondContact O-N 3.37Å; Q275-R277 VanDerWaalsContact C-N 3.31Å; Q275-R277 PolarHBondContact O-N 2.9Å; Q275-R278 VanDerWaalsContact O-CB 3.29Å; Q275-R278 WeakPolarHBondContact O-CB 3.45Å; Q275-R278 WeakPolarHBondContact O-CG 3.21Å; Q275-R278 PolarHBondContact O-N 3.37Å; Q275-Y297 HydrophobicContact CB-CE1 3.95Å; Q275-Y297 HydrophobicContact CG-CE1 4.33Å; Q275-Y297 PolarHBondContact O-OH 3.13Å |
| 276 | H | 90.3 | Very high | 89.5 | Confident | 12 Ų | 12 | 71.6 Ų | 71.6 | 6% | 0.056 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.4 | -36.3 | 177.9 | 175.6 | 38.4 | 0 | 0 | 0 | 112.9 | C263 F267 A272 L273 R278 V279 H280 | C263-H276 PolarHBondContact SG-NE2 3.32Å; F267-H276 HydrophobicContact CE1-CB 4.07Å; F267-H276 HydrophobicContact CE2-CB 4.06Å; F267-H276 AromaticContact CE2-CD2 3.38Å; F267-H276 WeakPolarHBondContact CE2-CD2 3.35Å; F267-H276 AromaticContact CE2-CG 3.92Å; F267-H276 HydrophobicContact CZ-CB 3.59Å; F267-H276 AromaticContact CZ-CD2 3.26Å; F267-H276 WeakPolarHBondContact CZ-CD2 3.24Å; F267-H276 AromaticContact CZ-CG 3.42Å; F267-H276 VanDerWaalsContact CZ-CG 3.42Å; A272-H276 VanDerWaalsContact O-CB 3.3Å; A272-H276 WeakPolarHBondContact O-CB 3.45Å; A272-H276 PolarHBondContact O-N 3.31Å; L273-H276 WeakPolarHBondContact O-CB 3.5Å; L273-H276 PolarHBondContact O-N 3.38Å; L273-H276 VanDerWaalsContact O-N 3.09Å; H276-R278 PolarHBondContact O-N 2.97Å; H276-V279 VanDerWaalsContact O-CB 3.25Å; H276-V279 WeakPolarHBondContact O-CB 3.34Å; H276-V279 WeakPolarHBondContact O-CG2 3.48Å; H276-V279 PolarHBondContact O-N 2.88Å; H276-H280 AromaticContact CD2-NE2 3.58Å; H276-H280 AromaticContact CE1-NE2 3.45Å; H276-H280 PolarHBondContact CE1-NE2 2.87Å; H276-H280 AromaticContact NE2-NE2 2.86Å; H276-H280 PolarHBondContact NE2-NE2 3.06Å |
| 277 | R | 89.1 | Confident | 89.5 | Confident | 134 Ų | 134 | 67.8 Ų | 67.8 | 51% | 0.506 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.2 | -23.6 | 178.9 | -71.3 | -179.6 | 70 | -130.4 | -1 | 113.7 | L273 Y274 Q275 V279 H280 S281 | L273-R277 HydrophobicContact CD1-CG 4.46Å; L273-R277 PolarHBondContact O-N 2.99Å; Y274-R277 PolarHBondContact O-N 3.21Å; Q275-R277 VanDerWaalsContact C-N 3.31Å; Q275-R277 PolarHBondContact O-N 2.9Å; R277-V279 PolarHBondContact O-N 3.25Å; R277-H280 PolarHBondContact O-N 2.98Å; R277-S281 PolarHBondContact O-N 3.04Å; R277-S281 PolarHBondContact O-OG 3.28Å |
| 278 | R | 88.4 | Confident | 89.6 | Confident | 34 Ų | 34 | 65.8 Ų | 65.8 | 13% | 0.128 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.4 | -24.9 | 172.1 | -58 | -173.2 | 165.3 | -67.5 | -15.7 | 113.6 | Y274 Q275 H276 H280 G282 E283 A296 | Y274-R278 PolarHBondContact OH-NH2 3.11Å; Q275-R278 VanDerWaalsContact O-CB 3.29Å; Q275-R278 WeakPolarHBondContact O-CB 3.45Å; Q275-R278 WeakPolarHBondContact O-CG 3.21Å; Q275-R278 PolarHBondContact O-N 3.37Å; H276-R278 PolarHBondContact O-N 2.97Å; R278-H280 VanDerWaalsContact C-N 3.27Å; R278-G282 WeakPolarHBondContact O-CA 3.44Å; R278-G282 PolarHBondContact O-N 3.47Å; R278-E283 IonicContact CZ-OE2 3.57Å; R278-E283 VanDerWaalsContact NH1-CB 3.27Å; R278-E283 IonicContact NH1-OE2 3.29Å; R278-E283 PolarHBondContact NH1-OE2 2.98Å; R278-E283 IonicContact NH2-OE2 2.67Å; R278-E283 PolarHBondContact NH2-OE2 3.18Å; R278-E283 PolarHBondContact O-N 3.42Å; R278-A296 HydrophobicContact CB-CB 4.44Å |
| 279 | V | 86.4 | Confident | 89.6 | Confident | 92 Ų | 92 | 69.3 Ų | 69.3 | 56% | 0.558 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -69.8 | -26.9 | 174.5 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | H276 R277 | H276-V279 VanDerWaalsContact O-CB 3.25Å; H276-V279 WeakPolarHBondContact O-CB 3.34Å; H276-V279 WeakPolarHBondContact O-CG2 3.48Å; H276-V279 PolarHBondContact O-N 2.88Å; R277-V279 PolarHBondContact O-N 3.25Å |
| 280 | H | 87.2 | Confident | 89.6 | Confident | 95 Ų | 95 | 69.7 Ų | 69.7 | 44% | 0.44 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -94 | -36.5 | 179.2 | -55.8 | -51.4 | 0 | 0 | 0 | 112.5 | C260 D262 C263 H276 R277 R278 G282 | C260-H280 PolarHBondContact SG-NE2 3.43Å; D262-H280 IonicContact OD2-CD2 3.69Å; D262-H280 PolarHBondContact OD2-CD2 3.07Å; D262-H280 IonicContact OD2-NE2 3.98Å; C263-H280 WeakPolarHBondContact CB-CE1 3.43Å; C263-H280 PolarHBondContact SG-CE1 3.27Å; C263-H280 PolarHBondContact SG-NE2 3.19Å; H276-H280 AromaticContact CD2-NE2 3.58Å; H276-H280 AromaticContact CE1-NE2 3.45Å; H276-H280 PolarHBondContact CE1-NE2 2.87Å; H276-H280 AromaticContact NE2-NE2 2.86Å; H276-H280 PolarHBondContact NE2-NE2 3.06Å; R277-H280 PolarHBondContact O-N 2.98Å; R278-H280 VanDerWaalsContact C-N 3.27Å; H280-G282 VanDerWaalsContact C-N 3.34Å |
| 281 | S | 85.8 | Confident | 89.7 | Confident | 65 Ų | 65 | 69.5 Ų | 69.5 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -80.1 | -11.7 | 175.3 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | R277 E283 | R277-S281 PolarHBondContact O-N 3.04Å; R277-S281 PolarHBondContact O-OG 3.28Å; S281-E283 WeakPolarHBondContact CB-OE1 3.21Å; S281-E283 PolarHBondContact O-N 3.28Å; S281-E283 WeakPolarHBondContact OG-CG 3.33Å; S281-E283 PolarHBondContact OG-OE1 3.08Å |
| 282 | G | 84.8 | Confident | 89.7 | Confident | 50 Ų | 50 | 69.6 Ų | 69.6 | 52% | 0.515 | 40% | 0.396 | S | S | . | . | trans | 69.7 | 3.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R278 H280 T284 | R278-G282 WeakPolarHBondContact O-CA 3.44Å; R278-G282 PolarHBondContact O-N 3.47Å; H280-G282 VanDerWaalsContact C-N 3.34Å; G282-T284 PolarHBondContact O-N 3.19Å | ||
| 283 | E | 86.4 | Confident | 89.8 | Confident | 91 Ų | 91 | 75.7 Ų | 75.7 | 43% | 0.425 | 41% | 0.413 | S | S | . | . | trans | -58.2 | 119.4 | -177.5 | -76.7 | 169.2 | -105.1 | 0 | 0 | 111.9 | R278 S281 P285 | R278-E283 IonicContact CZ-OE2 3.57Å; R278-E283 VanDerWaalsContact NH1-CB 3.27Å; R278-E283 IonicContact NH1-OE2 3.29Å; R278-E283 PolarHBondContact NH1-OE2 2.98Å; R278-E283 IonicContact NH2-OE2 2.67Å; R278-E283 PolarHBondContact NH2-OE2 3.18Å; R278-E283 PolarHBondContact O-N 3.42Å; S281-E283 WeakPolarHBondContact CB-OE1 3.21Å; S281-E283 PolarHBondContact O-N 3.28Å; S281-E283 WeakPolarHBondContact OG-CG 3.33Å; S281-E283 PolarHBondContact OG-OE1 3.08Å; E283-P285 WeakPolarHBondContact O-CD 3.42Å | ||
| 284 | T | 88.6 | Confident | 89.7 | Confident | 69 Ų | 69 | 76.3 Ų | 76.3 | 42% | 0.423 | 42% | 0.421 | S | S | . | . | trans | -123.2 | 74.5 | 177.7 | 42 | 0 | 0 | 0 | 0 | 110.6 | G282 F286 A294 F295 A296 | G282-T284 PolarHBondContact O-N 3.19Å; T284-F286 PolarHBondContact O-N 3.36Å; T284-A294 WeakPolarHBondContact OG1-CB 3.49Å; T284-F295 CarbonylContact C-O 3.54Å; T284-F295 VanDerWaalsContact CA-O 3.24Å; T284-F295 WeakPolarHBondContact CA-O 3.34Å; T284-A296 HydrophobicContact CG2-CB 4.39Å | ||
| 285 | P | 89.4 | Confident | 89.7 | Confident | 61 Ų | 61 | 71.4 Ų | 71.4 | 40% | 0.396 | 40% | 0.403 | S | S | . | . | trans | -71.1 | 0.5 | -169.4 | -16.2 | 31.1 | 0 | 0 | 0 | 115.3 | E283 P287 | E283-P285 WeakPolarHBondContact O-CD 3.42Å; P285-P287 VanDerWaalsContact O-CD 3.31Å; P285-P287 WeakPolarHBondContact O-CD 3.29Å | ||
| 286 | F | 92.6 | Very high | 89.6 | Confident | 69 Ų | 69 | 68.1 Ų | 68.1 | 30% | 0.303 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 79.4 | -169.5 | -52.4 | -66.7 | 0 | 0 | 0 | 110.2 | T284 F295 P298 L301 | T284-F286 PolarHBondContact O-N 3.36Å; F286-F295 HydrophobicContact CB-CB 4.46Å; F286-F295 WeakPolarHBondContact CD2-O 3.34Å; F286-F295 PolarHBondContact N-O 3.15Å; F286-F295 PolarHBondContact O-N 2.81Å; F286-P298 HydrophobicContact CD1-CG 4.07Å; F286-P298 HydrophobicContact CD2-CG 4.1Å; F286-P298 HydrophobicContact CE1-CG 3.77Å; F286-P298 HydrophobicContact CE2-CG 3.82Å; F286-P298 HydrophobicContact CG-CG 4.23Å; F286-P298 HydrophobicContact CZ-CG 3.64Å; F286-L301 HydrophobicContact CB-CB 4.23Å; F286-L301 HydrophobicContact CB-CD2 3.88Å |
| 287 | P | 93.5 | Very high | 89.5 | Confident | 77 Ų | 77 | 70.6 Ų | 70.6 | 50% | 0.5 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 145.4 | 172.7 | 29.2 | -34.7 | 0 | 0 | 0 | 111.8 | P285 L301 | P285-P287 VanDerWaalsContact O-CD 3.31Å; P285-P287 WeakPolarHBondContact O-CD 3.29Å; P287-L301 WeakPolarHBondContact O-CD2 3.46Å |
| 288 | C | 94.7 | Very high | 89.5 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.014 | 39% | 0.393 | C | S | . | . | trans | -80.3 | 126.8 | 168.9 | -159.1 | 0 | 0 | 0 | 0 | 109.7 | D290 G292 R293 F295 L301 H304 H308 | C288-D290 VanDerWaalsContact C-N 3.27Å; C288-D290 PolarHBondContact O-N 3.32Å; C288-D290 PolarHBondContact SG-OD2 3.42Å; C288-G292 VanDerWaalsContact O-CA 3.28Å; C288-G292 WeakPolarHBondContact O-CA 3.36Å; C288-G292 PolarHBondContact O-N 3.1Å; C288-R293 WeakPolarHBondContact CB-O 3.21Å; C288-R293 PolarHBondContact N-O 2.89Å; C288-F295 HydrophobicContact CB-CE2 4.47Å; C288-L301 HydrophobicContact CB-CD1 3.81Å; C288-H304 PolarHBondContact SG-CD2 2.79Å; C288-H308 PolarHBondContact SG-NE2 3.17Å; C288-H308 VanDerWaalsContact SG-NE2 3.43Å | ||
| 289 | P | 91.6 | Very high | 89.5 | Confident | 112 Ų | 112 | 68.6 Ų | 68.6 | 73% | 0.727 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -35.8 | 179.7 | 25.6 | -32.8 | 0 | 0 | 0 | 111.8 | C291 | P289-C291 PolarHBondContact O-N 3.16Š|
| 290 | D | 91.9 | Very high | 89.7 | Confident | 95 Ų | 95 | 66.1 Ų | 66.1 | 51% | 0.508 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -18 | -170.6 | -33 | -78.3 | 0 | 0 | 0 | 114.1 | C288 H308 | C288-D290 VanDerWaalsContact C-N 3.27Å; C288-D290 PolarHBondContact O-N 3.32Å; C288-D290 PolarHBondContact SG-OD2 3.42Å; D290-H308 IonicContact OD2-CD2 3.63Å; D290-H308 PolarHBondContact OD2-CD2 3.1Å; D290-H308 VanDerWaalsContact OD2-CD2 3.24Å; D290-H308 IonicContact OD2-NE2 2.75Å |
| 291 | C | 93.2 | Very high | 90 | Very high | 65 Ų | 65 | 63.1 Ų | 63.1 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -150.2 | 8.5 | -173.8 | 71.9 | 0 | 0 | 0 | 0 | 115.2 | P289 R293 H304 H308 | P289-C291 PolarHBondContact O-N 3.16Å; C291-R293 PolarHBondContact O-N 3.12Å; C291-H304 PolarHBondContact SG-NE2 3.25Å; C291-H308 PolarHBondContact SG-NE2 3.34Å |
| 292 | G | 88.6 | Confident | 90.3 | Very high | 56 Ų | 56 | 68.7 Ų | 68.7 | 58% | 0.577 | 39% | 0.393 | S | S | * | . | trans | 67.7 | -13.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | C288 A294 | C288-G292 VanDerWaalsContact O-CA 3.28Å; C288-G292 WeakPolarHBondContact O-CA 3.36Å; C288-G292 PolarHBondContact O-N 3.1Å; G292-A294 PolarHBondContact O-N 3.49Å | ||
| 293 | R | 91.5 | Very high | 90.7 | Very high | 158 Ų | 158 | 71.6 Ų | 71.6 | 60% | 0.596 | 39% | 0.388 | S | S | * | . | trans | -60.4 | 123.6 | -174.6 | -175.8 | 177.3 | 179 | 159 | 6.7 | 111.7 | C288 C291 F295 | C288-R293 WeakPolarHBondContact CB-O 3.21Å; C288-R293 PolarHBondContact N-O 2.89Å; C291-R293 PolarHBondContact O-N 3.12Å; R293-F295 HydrophobicContact CB-CE2 4.15Å; R293-F295 HydrophobicContact CG-CE2 3.79Å; R293-F295 HydrophobicContact CG-CZ 3.88Å; R293-F295 WeakPolarHBondContact O-CD2 3.47Å; R293-F295 VanDerWaalsContact O-CE2 3.23Å; R293-F295 WeakPolarHBondContact O-CE2 3.42Å | ||
| 294 | A | 91.3 | Very high | 91 | Very high | 41 Ų | 41 | 68.5 Ų | 68.5 | 34% | 0.339 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 147.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T284 G292 | T284-A294 WeakPolarHBondContact OG1-CB 3.49Å; G292-A294 PolarHBondContact O-N 3.49Å |
| 295 | F | 88.8 | Confident | 91.2 | Very high | 31 Ų | 31 | 67 Ų | 67 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149.7 | -177.7 | -64.6 | -92.7 | 0 | 0 | 0 | 111.8 | T284 F286 C288 R293 Y297 D300 L301 H304 | T284-F295 CarbonylContact C-O 3.54Å; T284-F295 VanDerWaalsContact CA-O 3.24Å; T284-F295 WeakPolarHBondContact CA-O 3.34Å; F286-F295 HydrophobicContact CB-CB 4.46Å; F286-F295 WeakPolarHBondContact CD2-O 3.34Å; F286-F295 PolarHBondContact N-O 3.15Å; F286-F295 PolarHBondContact O-N 2.81Å; C288-F295 HydrophobicContact CB-CE2 4.47Å; R293-F295 HydrophobicContact CB-CE2 4.15Å; R293-F295 HydrophobicContact CG-CE2 3.79Å; R293-F295 HydrophobicContact CG-CZ 3.88Å; R293-F295 WeakPolarHBondContact O-CD2 3.47Å; R293-F295 VanDerWaalsContact O-CE2 3.23Å; R293-F295 WeakPolarHBondContact O-CE2 3.42Å; F295-Y297 VanDerWaalsContact C-N 3.33Å; F295-D300 HydrophobicContact CB-CB 4.28Å; F295-D300 HydrophobicContact CD1-CB 3.71Å; F295-D300 HydrophobicContact CG-CB 4.28Å; F295-L301 HydrophobicContact CB-CB 4.36Å; F295-L301 HydrophobicContact CD2-CB 4.19Å; F295-L301 HydrophobicContact CD2-CD1 4.25Å; F295-L301 HydrophobicContact CG-CB 4.4Å; F295-H304 HydrophobicContact CE1-CB 4.12Å; F295-H304 HydrophobicContact CE2-CB 3.99Å; F295-H304 AromaticContact CE2-CD2 3.24Å; F295-H304 WeakPolarHBondContact CE2-CD2 3.36Å; F295-H304 AromaticContact CE2-CG 3.81Å; F295-H304 HydrophobicContact CZ-CB 3.55Å; F295-H304 AromaticContact CZ-CD2 3.28Å; F295-H304 WeakPolarHBondContact CZ-CD2 3.25Å; F295-H304 AromaticContact CZ-CG 3.42Å; F295-H304 VanDerWaalsContact CZ-CG 3.42Å |
| 296 | A | 87.8 | Confident | 91.4 | Very high | 22 Ų | 22 | 66.8 Ų | 66.8 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -79.5 | -15 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R278 T284 | R278-A296 HydrophobicContact CB-CB 4.44Å; T284-A296 HydrophobicContact CG2-CB 4.39Å |
| 297 | Y | 87.3 | Confident | 91.4 | Very high | 63 Ų | 63 | 66.5 Ų | 66.5 | 25% | 0.247 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -135.9 | 137.8 | -175.3 | -59.8 | -89.7 | 0 | 0 | 0 | 112.1 | Q275 F295 S299 D300 L301 | Q275-Y297 HydrophobicContact CB-CE1 3.95Å; Q275-Y297 HydrophobicContact CG-CE1 4.33Å; Q275-Y297 PolarHBondContact O-OH 3.13Å; F295-Y297 VanDerWaalsContact C-N 3.33Å; Y297-S299 PolarHBondContact O-N 3.47Å; Y297-D300 WeakPolarHBondContact CD2-OD2 3.41Å; Y297-D300 PolarHBondContact O-N 2.79Å; Y297-L301 PolarHBondContact O-N 2.91Å |
| 298 | P | 88.8 | Confident | 91.2 | Very high | 54 Ų | 54 | 66.6 Ų | 66.6 | 35% | 0.351 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.7 | -27.7 | 175.8 | -22 | 33 | 0 | 0 | 0 | 113.6 | F286 D300 R302 | F286-P298 HydrophobicContact CD1-CG 4.07Å; F286-P298 HydrophobicContact CD2-CG 4.1Å; F286-P298 HydrophobicContact CE1-CG 3.77Å; F286-P298 HydrophobicContact CE2-CG 3.82Å; F286-P298 HydrophobicContact CG-CG 4.23Å; F286-P298 HydrophobicContact CZ-CG 3.64Å; P298-D300 VanDerWaalsContact C-N 3.32Å; P298-R302 WeakPolarHBondContact O-CB 3.17Å; P298-R302 VanDerWaalsContact O-CG 3.27Å; P298-R302 WeakPolarHBondContact O-CG 3.36Å; P298-R302 PolarHBondContact O-N 3.04Å |
| 299 | S | 89.7 | Confident | 91 | Very high | 72 Ų | 72 | 70 Ų | 70 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.4 | -33.5 | 174.8 | 48.6 | 0 | 0 | 0 | 0 | 112.7 | Y297 R303 | Y297-S299 PolarHBondContact O-N 3.47Å; S299-R303 VanDerWaalsContact O-CB 3.31Å; S299-R303 WeakPolarHBondContact O-CB 3.16Å; S299-R303 PolarHBondContact O-N 3.47Å |
| 300 | D | 90.8 | Very high | 90.9 | Very high | 41 Ų | 41 | 66.2 Ų | 66.2 | 22% | 0.219 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -77.6 | -40.4 | 178.6 | -67.5 | -30.7 | 0 | 0 | 0 | 111.1 | F295 Y297 P298 R303 H304 | F295-D300 HydrophobicContact CB-CB 4.28Å; F295-D300 HydrophobicContact CD1-CB 3.71Å; F295-D300 HydrophobicContact CG-CB 4.28Å; Y297-D300 WeakPolarHBondContact CD2-OD2 3.41Å; Y297-D300 PolarHBondContact O-N 2.79Å; P298-D300 VanDerWaalsContact C-N 3.32Å; D300-R303 PolarHBondContact O-N 2.84Å; D300-R303 IonicContact OD1-CZ 3.98Å; D300-R303 IonicContact OD1-NE 3.81Å; D300-R303 IonicContact OD1-NH2 3.24Å; D300-R303 PolarHBondContact OD1-NH2 2.86Å; D300-H304 WeakPolarHBondContact O-CB 3.38Å; D300-H304 PolarHBondContact O-N 3.07Å |
| 301 | L | 93.6 | Very high | 90.8 | Very high | 31 Ų | 31 | 65.5 Ų | 65.5 | 16% | 0.162 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.9 | -52.5 | 169.2 | 172.2 | 57.8 | 0 | 0 | 0 | 111.3 | F286 P287 C288 F295 Y297 R303 H304 V305 | F286-L301 HydrophobicContact CB-CB 4.23Å; F286-L301 HydrophobicContact CB-CD2 3.88Å; P287-L301 WeakPolarHBondContact O-CD2 3.46Å; C288-L301 HydrophobicContact CB-CD1 3.81Å; F295-L301 HydrophobicContact CB-CB 4.36Å; F295-L301 HydrophobicContact CD2-CB 4.19Å; F295-L301 HydrophobicContact CD2-CD1 4.25Å; F295-L301 HydrophobicContact CG-CB 4.4Å; Y297-L301 PolarHBondContact O-N 2.91Å; L301-R303 VanDerWaalsContact C-N 3.28Å; L301-R303 PolarHBondContact O-N 3.39Å; L301-H304 CarbonylContact O-C 3.54Å; L301-H304 WeakPolarHBondContact O-CA 3.48Å; L301-H304 WeakPolarHBondContact O-CB 3.5Å; L301-H304 PolarHBondContact O-N 2.89Å; L301-V305 HydrophobicContact CD1-CG2 3.95Å; L301-V305 HydrophobicContact CG-CG2 4.5Å; L301-V305 WeakPolarHBondContact O-CG2 3.22Å; L301-V305 PolarHBondContact O-N 3.11Å |
| 302 | R | 91.9 | Very high | 90.8 | Very high | 182 Ų | 182 | 65.8 Ų | 65.8 | 69% | 0.687 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.5 | -38.2 | 178 | -72.5 | 172.8 | -169.5 | 173 | 3.2 | 112.9 | P298 H304 | P298-R302 WeakPolarHBondContact O-CB 3.17Å; P298-R302 VanDerWaalsContact O-CG 3.27Å; P298-R302 WeakPolarHBondContact O-CG 3.36Å; P298-R302 PolarHBondContact O-N 3.04Å; R302-H304 VanDerWaalsContact C-N 3.33Å |
| 303 | R | 92.3 | Very high | 90.9 | Very high | 112 Ų | 112 | 66.4 Ų | 66.4 | 42% | 0.423 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.1 | -34.6 | 174.4 | 169.1 | 167.5 | 55.5 | 163.6 | 0.6 | 112 | S299 D300 L301 Q325 | S299-R303 VanDerWaalsContact O-CB 3.31Å; S299-R303 WeakPolarHBondContact O-CB 3.16Å; S299-R303 PolarHBondContact O-N 3.47Å; D300-R303 PolarHBondContact O-N 2.84Å; D300-R303 IonicContact OD1-CZ 3.98Å; D300-R303 IonicContact OD1-NE 3.81Å; D300-R303 IonicContact OD1-NH2 3.24Å; D300-R303 PolarHBondContact OD1-NH2 2.86Å; L301-R303 VanDerWaalsContact C-N 3.28Å; L301-R303 PolarHBondContact O-N 3.39Å; R303-Q325 VanDerWaalsContact CD-CD 3.48Å; R303-Q325 HydrophobicContact CG-CG 4.46Å |
| 304 | H | 93.4 | Very high | 91 | Very high | 26 Ų | 26 | 62.4 Ų | 62.4 | 12% | 0.12 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -75.2 | -37.3 | 177.6 | 177 | 43.4 | 0 | 0 | 0 | 113.1 | C288 C291 F295 D300 L301 R302 R306 T307 H308 | C288-H304 PolarHBondContact SG-CD2 2.79Å; C291-H304 PolarHBondContact SG-NE2 3.25Å; F295-H304 HydrophobicContact CE1-CB 4.12Å; F295-H304 HydrophobicContact CE2-CB 3.99Å; F295-H304 AromaticContact CE2-CD2 3.24Å; F295-H304 WeakPolarHBondContact CE2-CD2 3.36Å; F295-H304 AromaticContact CE2-CG 3.81Å; F295-H304 HydrophobicContact CZ-CB 3.55Å; F295-H304 AromaticContact CZ-CD2 3.28Å; F295-H304 WeakPolarHBondContact CZ-CD2 3.25Å; F295-H304 AromaticContact CZ-CG 3.42Å; F295-H304 VanDerWaalsContact CZ-CG 3.42Å; D300-H304 WeakPolarHBondContact O-CB 3.38Å; D300-H304 PolarHBondContact O-N 3.07Å; L301-H304 CarbonylContact O-C 3.54Å; L301-H304 WeakPolarHBondContact O-CA 3.48Å; L301-H304 WeakPolarHBondContact O-CB 3.5Å; L301-H304 PolarHBondContact O-N 2.89Å; R302-H304 VanDerWaalsContact C-N 3.33Å; H304-R306 PolarHBondContact O-N 3.47Å; H304-T307 PolarHBondContact CE1-OG1 2.58Å; H304-T307 PolarHBondContact ND1-OG1 3.27Å; H304-T307 WeakPolarHBondContact O-CA 3.49Å; H304-T307 WeakPolarHBondContact O-CB 3.37Å; H304-T307 PolarHBondContact O-N 2.75Å; H304-T307 PolarHBondContact O-OG1 3.2Å; H304-H308 AromaticContact CD2-NE2 3.92Å; H304-H308 AromaticContact CE1-CE1 3.6Å; H304-H308 AromaticContact CE1-NE2 3.39Å; H304-H308 PolarHBondContact CE1-NE2 2.87Å; H304-H308 AromaticContact NE2-CE1 3.8Å; H304-H308 AromaticContact NE2-NE2 3.25Å; H304-H308 PolarHBondContact NE2-NE2 3.27Å |
| 305 | V | 93 | Very high | 91.2 | Very high | 37 Ų | 37 | 65.9 Ų | 65.9 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.9 | -35.9 | 176.9 | 171 | 0 | 0 | 0 | 0 | 111.5 | L301 T307 H308 T309 | L301-V305 HydrophobicContact CD1-CG2 3.95Å; L301-V305 HydrophobicContact CG-CG2 4.5Å; L301-V305 WeakPolarHBondContact O-CG2 3.22Å; L301-V305 PolarHBondContact O-N 3.11Å; V305-T307 PolarHBondContact O-N 3.03Å; V305-H308 WeakPolarHBondContact O-CA 3.41Å; V305-H308 WeakPolarHBondContact O-CB 3.33Å; V305-H308 PolarHBondContact O-N 2.83Å; V305-T309 HydrophobicContact CG1-CG2 3.89Å; V305-T309 PolarHBondContact O-N 3.36Å; V305-T309 PolarHBondContact O-OG1 2.97Å |
| 306 | R | 93.1 | Very high | 91.4 | Very high | 56 Ų | 56 | 64.4 Ų | 64.4 | 21% | 0.211 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.7 | -16.7 | 171.1 | -61 | -176.6 | -174.5 | 154.6 | 2.8 | 115.2 | H304 H308 T309 G310 E311 R324 | H304-R306 PolarHBondContact O-N 3.47Å; R306-H308 VanDerWaalsContact C-N 3.33Å; R306-T309 WeakPolarHBondContact CA-OG1 3.23Å; R306-G310 CarbonylContact O-C 3.21Å; R306-G310 PolarHBondContact O-N 2.64Å; R306-E311 HydrophobicContact CB-CB 4.18Å; R306-E311 HydrophobicContact CG-CB 3.98Å; R306-E311 IonicContact NE-OE2 3.31Å; R306-R324 PolarHBondContact NH1-O 3.32Å; R306-R324 VanDerWaalsContact NH1-O 3.13Å; R306-R324 PolarHBondContact O-NE 3.15Å; R306-R324 VanDerWaalsContact O-NE 3.08Å; R306-R324 PolarHBondContact O-NH2 3.31Å |
| 307 | T | 92.3 | Very high | 91.5 | Very high | 63 Ų | 63 | 68.3 Ų | 68.3 | 39% | 0.387 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -75.5 | -26.7 | 172 | 69.2 | 0 | 0 | 0 | 0 | 112.4 | H304 V305 R324 | H304-T307 PolarHBondContact CE1-OG1 2.58Å; H304-T307 PolarHBondContact ND1-OG1 3.27Å; H304-T307 WeakPolarHBondContact O-CA 3.49Å; H304-T307 WeakPolarHBondContact O-CB 3.37Å; H304-T307 PolarHBondContact O-N 2.75Å; H304-T307 PolarHBondContact O-OG1 3.2Å; V305-T307 PolarHBondContact O-N 3.03Å; T307-R324 PolarHBondContact O-NH2 3.01Å; T307-R324 VanDerWaalsContact O-NH2 3.14Å |
| 308 | H | 90.7 | Very high | 91.6 | Very high | 79 Ų | 79 | 68.9 Ų | 68.9 | 37% | 0.366 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -88.4 | -51.4 | 175 | -51.7 | -50.1 | 0 | 0 | 0 | 111.5 | C288 D290 C291 H304 V305 R306 G310 | C288-H308 PolarHBondContact SG-NE2 3.17Å; C288-H308 VanDerWaalsContact SG-NE2 3.43Å; D290-H308 IonicContact OD2-CD2 3.63Å; D290-H308 PolarHBondContact OD2-CD2 3.1Å; D290-H308 VanDerWaalsContact OD2-CD2 3.24Å; D290-H308 IonicContact OD2-NE2 2.75Å; C291-H308 PolarHBondContact SG-NE2 3.34Å; H304-H308 AromaticContact CD2-NE2 3.92Å; H304-H308 AromaticContact CE1-CE1 3.6Å; H304-H308 AromaticContact CE1-NE2 3.39Å; H304-H308 PolarHBondContact CE1-NE2 2.87Å; H304-H308 AromaticContact NE2-CE1 3.8Å; H304-H308 AromaticContact NE2-NE2 3.25Å; H304-H308 PolarHBondContact NE2-NE2 3.27Å; V305-H308 WeakPolarHBondContact O-CA 3.41Å; V305-H308 WeakPolarHBondContact O-CB 3.33Å; V305-H308 PolarHBondContact O-N 2.83Å; R306-H308 VanDerWaalsContact C-N 3.33Å; H308-G310 PolarHBondContact O-N 3.3Å; H308-G310 VanDerWaalsContact O-N 3.14Å |
| 309 | T | 89.3 | Confident | 91.7 | Very high | 75 Ų | 75 | 68.4 Ų | 68.4 | 46% | 0.46 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -70.2 | -8.4 | -178.6 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | V305 R306 E311 | V305-T309 HydrophobicContact CG1-CG2 3.89Å; V305-T309 PolarHBondContact O-N 3.36Å; V305-T309 PolarHBondContact O-OG1 2.97Å; R306-T309 WeakPolarHBondContact CA-OG1 3.23Å; T309-E311 WeakPolarHBondContact CB-OE1 3.4Å; T309-E311 PolarHBondContact O-N 3.37Å; T309-E311 VanDerWaalsContact O-N 3.08Å; T309-E311 VanDerWaalsContact OG1-CD 3.3Å; T309-E311 WeakPolarHBondContact OG1-CG 3.4Å; T309-E311 PolarHBondContact OG1-OE1 3.47Å |
| 310 | G | 89.3 | Confident | 91.7 | Very high | 31 Ų | 31 | 66.3 Ų | 66.3 | 32% | 0.32 | 34% | 0.342 | S | S | . | . | trans | 83.9 | -37.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | R306 H308 | R306-G310 CarbonylContact O-C 3.21Å; R306-G310 PolarHBondContact O-N 2.64Å; H308-G310 PolarHBondContact O-N 3.3Å; H308-G310 VanDerWaalsContact O-N 3.14Å | ||
| 311 | E | 90.9 | Very high | 91.7 | Very high | 81 Ų | 81 | 71.6 Ų | 71.6 | 38% | 0.379 | 36% | 0.359 | S | S | . | . | trans | -21.5 | 124.5 | -177.2 | -82.5 | 171.7 | -114.6 | 0 | 0 | 115.9 | R306 T309 P313 R324 | R306-E311 HydrophobicContact CB-CB 4.18Å; R306-E311 HydrophobicContact CG-CB 3.98Å; R306-E311 IonicContact NE-OE2 3.31Å; T309-E311 WeakPolarHBondContact CB-OE1 3.4Å; T309-E311 PolarHBondContact O-N 3.37Å; T309-E311 VanDerWaalsContact O-N 3.08Å; T309-E311 VanDerWaalsContact OG1-CD 3.3Å; T309-E311 WeakPolarHBondContact OG1-CG 3.4Å; T309-E311 PolarHBondContact OG1-OE1 3.47Å; E311-P313 HydrophobicContact CB-CG 4.44Å; E311-R324 WeakPolarHBondContact O-CG 3.21Å | ||
| 312 | K | 92.1 | Very high | 91.7 | Very high | 71 Ų | 71 | 71 Ų | 71 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | trans | -125.4 | 68.7 | 176.1 | -63.3 | 161.9 | -170.6 | 161.4 | 0 | 111.8 | Y314 C322 F323 R324 | K312-Y314 PolarHBondContact O-N 2.83Å; K312-C322 HydrophobicContact CB-CB 3.55Å; K312-C322 HydrophobicContact CD-CB 4.15Å; K312-C322 HydrophobicContact CG-CB 4.47Å; K312-C322 WeakPolarHBondContact O-CB 3.18Å; K312-F323 CarbonylContact C-O 3.3Å; K312-F323 WeakPolarHBondContact CA-O 3.33Å; K312-R324 HydrophobicContact CG-CG 4.2Å | ||
| 313 | P | 91.8 | Very high | 91.7 | Very high | 69 Ų | 69 | 63.9 Ų | 63.9 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | trans | -69.4 | 3.5 | -167.3 | -20.3 | 34.7 | 0 | 0 | 0 | 116.6 | E311 | E311-P313 HydrophobicContact CB-CG 4.44Š| ||
| 314 | Y | 93.6 | Very high | 91.6 | Very high | 73 Ų | 73 | 62.6 Ų | 62.6 | 29% | 0.286 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 90 | -175.9 | -54.1 | -73.8 | 0 | 0 | 0 | 110.7 | K312 F323 R324 | K312-Y314 PolarHBondContact O-N 2.83Å; Y314-F323 PolarHBondContact N-O 3.23Å; Y314-F323 PolarHBondContact O-N 3.08Å; Y314-R324 WeakPolarHBondContact CE2-O 3.47Å |
| 315 | Q | 94.9 | Very high | 91.5 | Very high | 115 Ų | 115 | 63.8 Ų | 63.8 | 54% | 0.537 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 142.9 | 173.9 | -164.3 | 167.3 | 37.3 | 0 | 0 | 111.7 | G320 | Q315-G320 VanDerWaalsContact CG-O 3.3Å; Q315-G320 WeakPolarHBondContact CG-O 3.41Å; Q315-G320 PolarHBondContact NE2-O 3.02Å |
| 316 | C | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.343 | C | S | . | . | trans | -83.7 | 119.7 | 168.5 | -168.9 | 0 | 0 | 0 | 0 | 109.2 | D318 C319 G320 R321 F323 M329 H332 | C316-D318 PolarHBondContact O-N 3.19Å; C316-D318 PolarHBondContact SG-OD2 3.3Å; C316-C319 PolarHBondContact O-N 2.99Å; C316-G320 WeakPolarHBondContact O-CA 3.38Å; C316-G320 PolarHBondContact O-N 2.88Å; C316-R321 HydrophobicContact CB-CB 4.47Å; C316-R321 VanDerWaalsContact CB-O 3.32Å; C316-R321 WeakPolarHBondContact CB-O 2.9Å; C316-R321 PolarHBondContact N-O 3.17Å; C316-F323 HydrophobicContact CB-CE2 4.31Å; C316-M329 HydrophobicContact CB-CG 4.46Å; C316-H332 VanDerWaalsContact SG-CD2 3.58Å | ||
| 317 | P | 90.3 | Very high | 91.3 | Very high | 103 Ų | 103 | 65.7 Ų | 65.7 | 67% | 0.669 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -27.2 | -177.6 | 28.5 | -34.7 | 0 | 0 | 0 | 112.2 | C319 | P317-C319 VanDerWaalsContact C-N 3.35Å; P317-C319 PolarHBondContact O-N 2.84Å |
| 318 | D | 89.4 | Confident | 91.2 | Very high | 76 Ų | 76 | 66 Ų | 66 | 41% | 0.406 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -9.4 | -173.7 | -27.9 | -94.4 | 0 | 0 | 0 | 113.5 | C316 R333 H336 | C316-D318 PolarHBondContact O-N 3.19Å; C316-D318 PolarHBondContact SG-OD2 3.3Å; D318-R333 IonicContact OD1-CZ 2.79Å; D318-R333 IonicContact OD1-NE 3.3Å; D318-R333 IonicContact OD1-NH2 2.64Å; D318-R333 PolarHBondContact OD1-NH2 3.28Å; D318-R333 IonicContact OD2-CZ 3.47Å; D318-R333 IonicContact OD2-NE 3.32Å; D318-R333 PolarHBondContact OD2-NE 3.18Å; D318-R333 IonicContact OD2-NH2 3.85Å; D318-R333 PolarHBondContact OD2-NH2 3.37Å; D318-H336 IonicContact OD2-CD2 3.43Å |
| 319 | C | 90.9 | Very high | 91.4 | Very high | 43 Ų | 43 | 64 Ų | 64 | 29% | 0.291 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -158.2 | 10.2 | -176.6 | 69.3 | 0 | 0 | 0 | 0 | 115.9 | C316 P317 R321 H332 H336 | C316-C319 PolarHBondContact O-N 2.99Å; P317-C319 VanDerWaalsContact C-N 3.35Å; P317-C319 PolarHBondContact O-N 2.84Å; C319-R321 PolarHBondContact O-N 3.14Å; C319-H332 PolarHBondContact SG-NE2 3.47Å; C319-H336 PolarHBondContact SG-NE2 3.24Å |
| 320 | G | 89.3 | Confident | 91.4 | Very high | 28 Ų | 28 | 62.4 Ų | 62.4 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | trans | 69.2 | -8.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | Q315 C316 C322 | Q315-G320 VanDerWaalsContact CG-O 3.3Å; Q315-G320 WeakPolarHBondContact CG-O 3.41Å; Q315-G320 PolarHBondContact NE2-O 3.02Å; C316-G320 WeakPolarHBondContact O-CA 3.38Å; C316-G320 PolarHBondContact O-N 2.88Å; G320-C322 PolarHBondContact O-N 3.21Å | ||
| 321 | R | 91 | Very high | 91.3 | Very high | 152 Ų | 152 | 61.7 Ų | 61.7 | 57% | 0.574 | 33% | 0.33 | S | S | * | . | trans | -69.8 | 125.8 | -173.8 | -169.3 | 173.1 | -174.2 | 139.2 | 4.7 | 112.8 | C316 C319 F323 | C316-R321 HydrophobicContact CB-CB 4.47Å; C316-R321 VanDerWaalsContact CB-O 3.32Å; C316-R321 WeakPolarHBondContact CB-O 2.9Å; C316-R321 PolarHBondContact N-O 3.17Å; C319-R321 PolarHBondContact O-N 3.14Å; R321-F323 HydrophobicContact CB-CE2 4.07Å; R321-F323 HydrophobicContact CB-CZ 4.49Å; R321-F323 HydrophobicContact CG-CE2 3.85Å; R321-F323 HydrophobicContact CG-CZ 3.9Å; R321-F323 WeakPolarHBondContact O-CD2 3.38Å; R321-F323 VanDerWaalsContact O-CE2 3.25Å; R321-F323 WeakPolarHBondContact O-CE2 3.44Å | ||
| 322 | C | 92.8 | Very high | 91.2 | Very high | 18 Ų | 18 | 59.1 Ų | 59.1 | 12% | 0.122 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 144.7 | -176.9 | -60.8 | 0 | 0 | 0 | 0 | 114.4 | K312 G320 C406 | K312-C322 HydrophobicContact CB-CB 3.55Å; K312-C322 HydrophobicContact CD-CB 4.15Å; K312-C322 HydrophobicContact CG-CB 4.47Å; K312-C322 WeakPolarHBondContact O-CB 3.18Å; G320-C322 PolarHBondContact O-N 3.21Å; C322-C406 HydrophobicContact CB-CB 4.07Å; C322-C406 WeakPolarHBondContact CB-SG 3.42Å; C322-C406 WeakPolarHBondContact SG-CB 3.33Å; C322-C406 CovalentContact SG-SG 2.03Å; C322-C406 PolarHBondContact SG-SG 3.09Å |
| 323 | F | 91.6 | Very high | 91.1 | Very high | 34 Ų | 34 | 60.9 Ų | 60.9 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 156.2 | -176.2 | -64 | -93.1 | 0 | 0 | 0 | 113.4 | K312 Y314 C316 R321 E328 M329 H332 | K312-F323 CarbonylContact C-O 3.3Å; K312-F323 WeakPolarHBondContact CA-O 3.33Å; Y314-F323 PolarHBondContact N-O 3.23Å; Y314-F323 PolarHBondContact O-N 3.08Å; C316-F323 HydrophobicContact CB-CE2 4.31Å; R321-F323 HydrophobicContact CB-CE2 4.07Å; R321-F323 HydrophobicContact CB-CZ 4.49Å; R321-F323 HydrophobicContact CG-CE2 3.85Å; R321-F323 HydrophobicContact CG-CZ 3.9Å; R321-F323 WeakPolarHBondContact O-CD2 3.38Å; R321-F323 VanDerWaalsContact O-CE2 3.25Å; R321-F323 WeakPolarHBondContact O-CE2 3.44Å; F323-E328 HydrophobicContact CB-CB 4.06Å; F323-E328 HydrophobicContact CD1-CB 3.72Å; F323-E328 HydrophobicContact CG-CB 4.18Å; F323-M329 HydrophobicContact CB-CB 4.08Å; F323-M329 HydrophobicContact CD2-CB 3.75Å; F323-M329 HydrophobicContact CD2-CG 4.18Å; F323-M329 HydrophobicContact CG-CB 4.03Å; F323-H332 HydrophobicContact CE1-CB 4.01Å; F323-H332 HydrophobicContact CE2-CB 4.01Å; F323-H332 AromaticContact CE2-CD2 3.34Å; F323-H332 WeakPolarHBondContact CE2-CD2 3.43Å; F323-H332 AromaticContact CE2-CG 3.91Å; F323-H332 HydrophobicContact CZ-CB 3.49Å; F323-H332 VanDerWaalsContact CZ-CB 3.49Å; F323-H332 AromaticContact CZ-CD2 3.28Å; F323-H332 WeakPolarHBondContact CZ-CD2 2.96Å; F323-H332 AromaticContact CZ-CG 3.43Å; F323-H332 VanDerWaalsContact CZ-CG 3.43Å |
| 324 | R | 91.1 | Very high | 90.9 | Very high | 85 Ų | 85 | 60.5 Ų | 60.5 | 32% | 0.321 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -80.8 | -24.9 | -178.8 | -65.9 | -173.4 | 161.1 | 161.3 | -12.5 | 112.9 | R306 T307 E311 K312 Y314 E328 | R306-R324 PolarHBondContact NH1-O 3.32Å; R306-R324 VanDerWaalsContact NH1-O 3.13Å; R306-R324 PolarHBondContact O-NE 3.15Å; R306-R324 VanDerWaalsContact O-NE 3.08Å; R306-R324 PolarHBondContact O-NH2 3.31Å; T307-R324 PolarHBondContact O-NH2 3.01Å; T307-R324 VanDerWaalsContact O-NH2 3.14Å; E311-R324 WeakPolarHBondContact O-CG 3.21Å; K312-R324 HydrophobicContact CG-CG 4.2Å; Y314-R324 WeakPolarHBondContact CE2-O 3.47Å; R324-E328 PolarHBondContact N-OE2 3.25Å; R324-E328 VanDerWaalsContact N-OE2 3.1Å |
| 325 | Q | 91.5 | Very high | 90.5 | Very high | 50 Ų | 50 | 61.5 Ų | 61.5 | 23% | 0.234 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -129.3 | 142.5 | 177.3 | -53.5 | -179.7 | 79.1 | 0 | 0 | 112.2 | R303 S327 E328 M329 | R303-Q325 VanDerWaalsContact CD-CD 3.48Å; R303-Q325 HydrophobicContact CG-CG 4.46Å; Q325-S327 PolarHBondContact O-N 2.89Å; Q325-E328 HydrophobicContact CB-CB 4.48Å; Q325-E328 HydrophobicContact CB-CG 3.94Å; Q325-E328 HydrophobicContact CG-CG 4.48Å; Q325-E328 PolarHBondContact N-OE2 3.47Å; Q325-E328 PolarHBondContact NE2-OE1 3.27Å; Q325-E328 WeakPolarHBondContact O-CB 3.17Å; Q325-E328 PolarHBondContact O-N 2.88Å; Q325-M329 PolarHBondContact O-N 3.4Å |
| 326 | S | 92 | Very high | 90 | Very high | 63 Ų | 63 | 60 Ų | 60 | 44% | 0.441 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.9 | -28.2 | 175.4 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | A330 | S326-A330 WeakPolarHBondContact O-CB 3.33Å; S326-A330 PolarHBondContact O-N 3Å |
| 327 | S | 89.9 | Confident | 89.5 | Confident | 71 Ų | 71 | 63.1 Ų | 63.1 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.4 | -29.5 | 173.8 | 50.5 | 0 | 0 | 0 | 0 | 113.5 | Q325 A331 | Q325-S327 PolarHBondContact O-N 2.89Å; S327-A331 WeakPolarHBondContact O-CB 3.34Å; S327-A331 PolarHBondContact O-N 3.47Å; S327-A331 VanDerWaalsContact O-N 3.11Å |
| 328 | E | 90.1 | Very high | 89.1 | Confident | 68 Ų | 68 | 60.2 Ų | 60.2 | 32% | 0.318 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -73 | -49.9 | 173.9 | -64.4 | 159 | 176.4 | 0 | 0 | 109.7 | F323 R324 Q325 A330 A331 H332 | F323-E328 HydrophobicContact CB-CB 4.06Å; F323-E328 HydrophobicContact CD1-CB 3.72Å; F323-E328 HydrophobicContact CG-CB 4.18Å; R324-E328 PolarHBondContact N-OE2 3.25Å; R324-E328 VanDerWaalsContact N-OE2 3.1Å; Q325-E328 HydrophobicContact CB-CB 4.48Å; Q325-E328 HydrophobicContact CB-CG 3.94Å; Q325-E328 HydrophobicContact CG-CG 4.48Å; Q325-E328 PolarHBondContact N-OE2 3.47Å; Q325-E328 PolarHBondContact NE2-OE1 3.27Å; Q325-E328 WeakPolarHBondContact O-CB 3.17Å; Q325-E328 PolarHBondContact O-N 2.88Å; E328-A330 PolarHBondContact O-N 3.4Å; E328-A331 CarbonylContact O-C 3.58Å; E328-A331 WeakPolarHBondContact O-CA 3.29Å; E328-A331 PolarHBondContact O-N 3.43Å; E328-H332 PolarHBondContact O-N 2.92Å |
| 329 | M | 93.3 | Very high | 88.7 | Confident | 39 Ų | 39 | 61.5 Ų | 61.5 | 19% | 0.192 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.7 | -49.4 | 174.6 | 178.8 | -81.9 | -75.6 | 0 | 0 | 111.2 | C316 F323 Q325 A331 H332 R333 | C316-M329 HydrophobicContact CB-CG 4.46Å; F323-M329 HydrophobicContact CB-CB 4.08Å; F323-M329 HydrophobicContact CD2-CB 3.75Å; F323-M329 HydrophobicContact CD2-CG 4.18Å; F323-M329 HydrophobicContact CG-CB 4.03Å; Q325-M329 PolarHBondContact O-N 3.4Å; M329-A331 PolarHBondContact O-N 2.89Å; M329-H332 WeakPolarHBondContact O-CA 3.44Å; M329-H332 WeakPolarHBondContact O-CB 3.5Å; M329-H332 PolarHBondContact O-N 3Å; M329-R333 PolarHBondContact O-N 3.48Å; M329-R333 HydrophobicContact SD-CG 3.87Å |
| 330 | A | 89.4 | Confident | 88.5 | Confident | 41 Ų | 41 | 65 Ų | 65 | 34% | 0.339 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68 | -16.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | S326 E328 R334 | S326-A330 WeakPolarHBondContact O-CB 3.33Å; S326-A330 PolarHBondContact O-N 3Å; E328-A330 PolarHBondContact O-N 3.4Å; A330-R334 PolarHBondContact O-NH2 2.95Å |
| 331 | A | 87.5 | Confident | 88.3 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -87.8 | -29.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S327 E328 M329 Q353 | S327-A331 WeakPolarHBondContact O-CB 3.34Å; S327-A331 PolarHBondContact O-N 3.47Å; S327-A331 VanDerWaalsContact O-N 3.11Å; E328-A331 CarbonylContact O-C 3.58Å; E328-A331 WeakPolarHBondContact O-CA 3.29Å; E328-A331 PolarHBondContact O-N 3.43Å; M329-A331 PolarHBondContact O-N 2.89Å; A331-Q353 HydrophobicContact CB-CG 4.27Å |
| 332 | H | 89.8 | Confident | 88.2 | Confident | 28 Ų | 28 | 62 Ų | 62 | 13% | 0.13 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.2 | -42.4 | 171.2 | 172.1 | 43.7 | 0 | 0 | 0 | 112 | C316 C319 F323 E328 M329 R334 T335 H336 | C316-H332 VanDerWaalsContact SG-CD2 3.58Å; C319-H332 PolarHBondContact SG-NE2 3.47Å; F323-H332 HydrophobicContact CE1-CB 4.01Å; F323-H332 HydrophobicContact CE2-CB 4.01Å; F323-H332 AromaticContact CE2-CD2 3.34Å; F323-H332 WeakPolarHBondContact CE2-CD2 3.43Å; F323-H332 AromaticContact CE2-CG 3.91Å; F323-H332 HydrophobicContact CZ-CB 3.49Å; F323-H332 VanDerWaalsContact CZ-CB 3.49Å; F323-H332 AromaticContact CZ-CD2 3.28Å; F323-H332 WeakPolarHBondContact CZ-CD2 2.96Å; F323-H332 AromaticContact CZ-CG 3.43Å; F323-H332 VanDerWaalsContact CZ-CG 3.43Å; E328-H332 PolarHBondContact O-N 2.92Å; M329-H332 WeakPolarHBondContact O-CA 3.44Å; M329-H332 WeakPolarHBondContact O-CB 3.5Å; M329-H332 PolarHBondContact O-N 3Å; H332-R334 PolarHBondContact O-N 2.77Å; H332-T335 PolarHBondContact CE1-OG1 2.91Å; H332-T335 PolarHBondContact ND1-OG1 3.49Å; H332-T335 VanDerWaalsContact ND1-OG1 3.14Å; H332-T335 WeakPolarHBondContact O-CB 3.28Å; H332-T335 PolarHBondContact O-N 2.9Å; H332-T335 PolarHBondContact O-OG1 3.38Å; H332-H336 AromaticContact CE1-CE1 3.78Å; H332-H336 AromaticContact CE1-NE2 3.55Å; H332-H336 AromaticContact NE2-CE1 3.92Å; H332-H336 AromaticContact NE2-NE2 3.36Å; H332-H336 PolarHBondContact NE2-NE2 3.17Å |
| 333 | R | 89.1 | Confident | 88.1 | Confident | 108 Ų | 108 | 64.7 Ų | 64.7 | 41% | 0.408 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -53.9 | -25.9 | 179.7 | -69.4 | -164.1 | 72.4 | -118.8 | -6.1 | 114.3 | D318 M329 T335 H336 S337 | D318-R333 IonicContact OD1-CZ 2.79Å; D318-R333 IonicContact OD1-NE 3.3Å; D318-R333 IonicContact OD1-NH2 2.64Å; D318-R333 PolarHBondContact OD1-NH2 3.28Å; D318-R333 IonicContact OD2-CZ 3.47Å; D318-R333 IonicContact OD2-NE 3.32Å; D318-R333 PolarHBondContact OD2-NE 3.18Å; D318-R333 IonicContact OD2-NH2 3.85Å; D318-R333 PolarHBondContact OD2-NH2 3.37Å; M329-R333 PolarHBondContact O-N 3.48Å; M329-R333 HydrophobicContact SD-CG 3.87Å; R333-T335 PolarHBondContact O-N 3.43Å; R333-H336 WeakPolarHBondContact O-CB 3.4Å; R333-H336 PolarHBondContact O-N 3.45Å; R333-H336 VanDerWaalsContact O-N 3.12Å; R333-S337 PolarHBondContact O-N 2.94Å |
| 334 | R | 87.1 | Confident | 88.1 | Confident | 60 Ų | 60 | 63.1 Ų | 63.1 | 23% | 0.226 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.9 | -13 | 173.6 | -58.3 | -167.8 | -162.9 | 90.2 | 22.6 | 114.7 | A330 H332 H336 G338 E339 G352 | A330-R334 PolarHBondContact O-NH2 2.95Å; H332-R334 PolarHBondContact O-N 2.77Å; R334-H336 VanDerWaalsContact C-N 3.33Å; R334-G338 CarbonylContact O-C 3.57Å; R334-G338 WeakPolarHBondContact O-CA 3.44Å; R334-G338 PolarHBondContact O-N 2.94Å; R334-E339 HydrophobicContact CB-CB 4.07Å; R334-E339 HydrophobicContact CG-CB 4.15Å; R334-E339 PolarHBondContact O-N 3Å; R334-G352 PolarHBondContact NH1-O 2.91Å |
| 335 | T | 85.7 | Confident | 88 | Confident | 94 Ų | 94 | 64 Ų | 64 | 58% | 0.577 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -74.8 | -28 | 169.2 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | H332 R333 | H332-T335 PolarHBondContact CE1-OG1 2.91Å; H332-T335 PolarHBondContact ND1-OG1 3.49Å; H332-T335 VanDerWaalsContact ND1-OG1 3.14Å; H332-T335 WeakPolarHBondContact O-CB 3.28Å; H332-T335 PolarHBondContact O-N 2.9Å; H332-T335 PolarHBondContact O-OG1 3.38Å; R333-T335 PolarHBondContact O-N 3.43Å |
| 336 | H | 85.3 | Confident | 87.8 | Confident | 83 Ų | 83 | 67 Ų | 67 | 38% | 0.384 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -79.4 | -46.6 | 175.6 | -55.4 | -48 | 0 | 0 | 0 | 111.6 | D318 C319 H332 R333 R334 G338 | D318-H336 IonicContact OD2-CD2 3.43Å; C319-H336 PolarHBondContact SG-NE2 3.24Å; H332-H336 AromaticContact CE1-CE1 3.78Å; H332-H336 AromaticContact CE1-NE2 3.55Å; H332-H336 AromaticContact NE2-CE1 3.92Å; H332-H336 AromaticContact NE2-NE2 3.36Å; H332-H336 PolarHBondContact NE2-NE2 3.17Å; R333-H336 WeakPolarHBondContact O-CB 3.4Å; R333-H336 PolarHBondContact O-N 3.45Å; R333-H336 VanDerWaalsContact O-N 3.12Å; R334-H336 VanDerWaalsContact C-N 3.33Å; H336-G338 PolarHBondContact O-N 2.99Å |
| 337 | S | 83.1 | Confident | 87.8 | Confident | 67 Ų | 67 | 67 Ų | 67 | 47% | 0.469 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -76.9 | -2.7 | 176.2 | 67.4 | 0 | 0 | 0 | 0 | 114.6 | R333 E339 | R333-S337 PolarHBondContact O-N 2.94Å; S337-E339 PolarHBondContact O-N 3.18Å; S337-E339 WeakPolarHBondContact OG-CB 3.24Å; S337-E339 WeakPolarHBondContact OG-CG 3.44Å; S337-E339 PolarHBondContact OG-OE1 2.95Å |
| 338 | G | 81.1 | Confident | 87.6 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 43% | 0.433 | 37% | 0.37 | S | S | . | . | trans | 65.2 | 0.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R334 H336 K340 | R334-G338 CarbonylContact O-C 3.57Å; R334-G338 WeakPolarHBondContact O-CA 3.44Å; R334-G338 PolarHBondContact O-N 2.94Å; H336-G338 PolarHBondContact O-N 2.99Å; G338-K340 PolarHBondContact O-N 3.4Å | ||
| 339 | E | 82.1 | Confident | 87.5 | Confident | 103 Ų | 103 | 70.5 Ų | 70.5 | 48% | 0.481 | 39% | 0.385 | S | S | . | . | trans | -56.4 | 127.1 | -173.8 | -88.5 | 173.7 | -123.2 | 0 | 0 | 113 | R334 S337 P341 G352 | R334-E339 HydrophobicContact CB-CB 4.07Å; R334-E339 HydrophobicContact CG-CB 4.15Å; R334-E339 PolarHBondContact O-N 3Å; S337-E339 PolarHBondContact O-N 3.18Å; S337-E339 WeakPolarHBondContact OG-CB 3.24Å; S337-E339 WeakPolarHBondContact OG-CG 3.44Å; S337-E339 PolarHBondContact OG-OE1 2.95Å; E339-P341 HydrophobicContact CB-CG 4.46Å; E339-P341 WeakPolarHBondContact O-CD 3.47Å; E339-G352 WeakPolarHBondContact O-CA 3.43Å | ||
| 340 | K | 85 | Confident | 87.2 | Confident | 116 Ų | 116 | 76.1 Ų | 76.1 | 50% | 0.504 | 40% | 0.404 | S | S | . | . | trans | -124.4 | 76.7 | 175.2 | -68.5 | 158 | -166.3 | 166.2 | 0 | 109.8 | G338 Y342 R350 F351 | G338-K340 PolarHBondContact O-N 3.4Å; K340-Y342 PolarHBondContact O-N 2.84Å; K340-R350 HydrophobicContact CB-CB 3.65Å; K340-R350 PolarHBondContact O-NE 3.5Å; K340-R350 PolarHBondContact O-NH2 3.16Å; K340-F351 CarbonylContact C-O 3.58Å; K340-F351 WeakPolarHBondContact CA-O 3.41Å | ||
| 341 | P | 86.4 | Confident | 87 | Confident | 52 Ų | 52 | 76.1 Ų | 76.1 | 34% | 0.338 | 40% | 0.396 | S | S | . | . | trans | -71.7 | -14.8 | -172.7 | -19 | 33.9 | 0 | 0 | 0 | 114.3 | E339 P343 | E339-P341 HydrophobicContact CB-CG 4.46Å; E339-P341 WeakPolarHBondContact O-CD 3.47Å; P341-P343 VanDerWaalsContact O-CD 3.3Å; P341-P343 WeakPolarHBondContact O-CD 3.42Å | ||
| 342 | Y | 88.3 | Confident | 86.8 | Confident | 64 Ų | 64 | 76.4 Ų | 76.4 | 25% | 0.251 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 98.9 | -169.6 | -48.7 | -62.3 | 0 | 0 | 0 | 111.2 | K340 F351 G352 Q353 K354 V357 | K340-Y342 PolarHBondContact O-N 2.84Å; Y342-F351 PolarHBondContact N-O 2.73Å; Y342-F351 VanDerWaalsContact N-O 3.11Å; Y342-F351 PolarHBondContact O-N 2.64Å; Y342-G352 WeakPolarHBondContact CE2-O 3.16Å; Y342-Q353 VanDerWaalsContact CD2-C 3.46Å; Y342-K354 HydrophobicContact CD1-CD 4.4Å; Y342-K354 HydrophobicContact CD1-CG 3.65Å; Y342-K354 HydrophobicContact CD2-CG 4.02Å; Y342-K354 HydrophobicContact CE1-CD 4.2Å; Y342-K354 VanDerWaalsContact CE1-CE 3.43Å; Y342-K354 HydrophobicContact CE1-CG 3.71Å; Y342-K354 HydrophobicContact CE2-CG 4.04Å; Y342-K354 HydrophobicContact CG-CG 3.81Å; Y342-V357 WeakPolarHBondContact O-CG2 3.47Å |
| 343 | P | 90.6 | Very high | 86.5 | Confident | 75 Ų | 75 | 79.1 Ų | 79.1 | 49% | 0.487 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 150.5 | 171 | 31 | -34.5 | 0 | 0 | 0 | 111.3 | P341 R349 R350 | P341-P343 VanDerWaalsContact O-CD 3.3Å; P341-P343 WeakPolarHBondContact O-CD 3.42Å; P343-R349 CarbonylContact C-O 3.57Å; P343-R350 HydrophobicContact CB-CG 4.33Å |
| 344 | C | 91.6 | Very high | 86.4 | Confident | 2 Ų | 2 | 81 Ų | 81 | 1% | 0.014 | 43% | 0.425 | C | S | . | . | trans | -77.6 | 126.6 | 163.5 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | Q346 C347 G348 R349 F351 V357 | C344-Q346 PolarHBondContact O-N 3.49Å; C344-C347 PolarHBondContact O-N 3.45Å; C344-G348 WeakPolarHBondContact O-CA 3.27Å; C344-G348 PolarHBondContact O-N 3.43Å; C344-R349 PolarHBondContact N-O 2.98Å; C344-F351 HydrophobicContact CB-CE2 4.37Å; C344-V357 HydrophobicContact CB-CG1 4.37Å | ||
| 345 | P | 88.9 | Confident | 86.5 | Confident | 103 Ų | 103 | 81.1 Ų | 81.1 | 67% | 0.669 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -14.9 | -176.3 | 27.7 | -35.6 | 0 | 0 | 0 | 114.1 | ||
| 346 | Q | 87.9 | Confident | 86.6 | Confident | 113 Ų | 113 | 78.2 Ų | 78.2 | 53% | 0.528 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -19 | -176.6 | -68.5 | 163.4 | -68 | 0 | 0 | 113.8 | C344 H364 | C344-Q346 PolarHBondContact O-N 3.49Å; Q346-H364 HydrophobicContact CB-CB 4.48Å |
| 347 | C | 91.2 | Very high | 86.7 | Confident | 62 Ų | 62 | 74.8 Ų | 74.8 | 42% | 0.419 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.5 | 9.1 | -175.6 | 70.2 | 0 | 0 | 0 | 0 | 114.8 | C344 R349 H360 H364 | C344-C347 PolarHBondContact O-N 3.45Å; C347-R349 PolarHBondContact O-N 3.07Å; C347-H360 PolarHBondContact SG-NE2 3.47Å; C347-H364 PolarHBondContact SG-NE2 3.46Å |
| 348 | G | 85.6 | Confident | 86.9 | Confident | 47 Ų | 47 | 73.9 Ų | 73.9 | 49% | 0.485 | 40% | 0.402 | S | S | . | . | trans | 69 | -20.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | C344 R350 | C344-G348 WeakPolarHBondContact O-CA 3.27Å; C344-G348 PolarHBondContact O-N 3.43Å; G348-R350 WeakPolarHBondContact O-CG 3.44Å; G348-R350 PolarHBondContact O-N 3.44Å | ||
| 349 | R | 88.6 | Confident | 87.3 | Confident | 166 Ų | 166 | 79.8 Ų | 79.8 | 63% | 0.626 | 42% | 0.415 | S | S | * | . | trans | -52.1 | 125.2 | -173.3 | -166.5 | 174.5 | -169.4 | 176.1 | 5.2 | 111.6 | P343 C344 C347 F351 | P343-R349 CarbonylContact C-O 3.57Å; C344-R349 PolarHBondContact N-O 2.98Å; C347-R349 PolarHBondContact O-N 3.07Å; R349-F351 HydrophobicContact CB-CE2 4.08Å; R349-F351 HydrophobicContact CG-CE2 4.01Å; R349-F351 HydrophobicContact CG-CZ 4.12Å; R349-F351 VanDerWaalsContact O-CD2 3.24Å; R349-F351 WeakPolarHBondContact O-CD2 3.43Å; R349-F351 WeakPolarHBondContact O-CE2 3.39Å | ||
| 350 | R | 87.9 | Confident | 87.6 | Confident | 157 Ų | 157 | 76.1 Ų | 76.1 | 59% | 0.592 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 140.9 | -169.9 | -57.8 | 179.7 | 62.9 | 166.5 | 1.7 | 112.7 | K340 P343 G348 | K340-R350 HydrophobicContact CB-CB 3.65Å; K340-R350 PolarHBondContact O-NE 3.5Å; K340-R350 PolarHBondContact O-NH2 3.16Å; P343-R350 HydrophobicContact CB-CG 4.33Å; G348-R350 WeakPolarHBondContact O-CG 3.44Å; G348-R350 PolarHBondContact O-N 3.44Å |
| 351 | F | 84.1 | Confident | 87.8 | Confident | 41 Ų | 41 | 74.1 Ų | 74.1 | 18% | 0.18 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 150.6 | -178.1 | -60.9 | -98.4 | 0 | 0 | 0 | 112 | K340 Y342 C344 R349 Q353 A356 V357 H360 | K340-F351 CarbonylContact C-O 3.58Å; K340-F351 WeakPolarHBondContact CA-O 3.41Å; Y342-F351 PolarHBondContact N-O 2.73Å; Y342-F351 VanDerWaalsContact N-O 3.11Å; Y342-F351 PolarHBondContact O-N 2.64Å; C344-F351 HydrophobicContact CB-CE2 4.37Å; R349-F351 HydrophobicContact CB-CE2 4.08Å; R349-F351 HydrophobicContact CG-CE2 4.01Å; R349-F351 HydrophobicContact CG-CZ 4.12Å; R349-F351 VanDerWaalsContact O-CD2 3.24Å; R349-F351 WeakPolarHBondContact O-CD2 3.43Å; R349-F351 WeakPolarHBondContact O-CE2 3.39Å; F351-Q353 VanDerWaalsContact C-N 3.34Å; F351-A356 HydrophobicContact CB-CB 4.14Å; F351-A356 HydrophobicContact CD1-CB 3.71Å; F351-A356 HydrophobicContact CG-CB 4.22Å; F351-V357 HydrophobicContact CB-CG2 3.82Å; F351-V357 HydrophobicContact CD2-CG2 3.78Å; F351-V357 HydrophobicContact CG-CG2 4.03Å; F351-H360 HydrophobicContact CE1-CB 4.16Å; F351-H360 HydrophobicContact CE2-CB 4.13Å; F351-H360 AromaticContact CE2-CD2 3.47Å; F351-H360 VanDerWaalsContact CE2-CD2 3.47Å; F351-H360 WeakPolarHBondContact CE2-CD2 3.48Å; F351-H360 AromaticContact CE2-CG 4Å; F351-H360 HydrophobicContact CZ-CB 3.6Å; F351-H360 AromaticContact CZ-CD2 3.39Å; F351-H360 WeakPolarHBondContact CZ-CD2 3.47Å; F351-H360 AromaticContact CZ-CG 3.5Å |
| 352 | G | 84 | Confident | 87.8 | Confident | 21 Ų | 21 | 79.1 Ų | 79.1 | 22% | 0.216 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -78.5 | -11.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R334 E339 Y342 | R334-G352 PolarHBondContact NH1-O 2.91Å; E339-G352 WeakPolarHBondContact O-CA 3.43Å; Y342-G352 WeakPolarHBondContact CE2-O 3.16Å |
| 353 | Q | 83.9 | Confident | 87.7 | Confident | 85 Ų | 85 | 81.2 Ų | 81.2 | 40% | 0.397 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -139.8 | 141.6 | 178.6 | -56.2 | -173.3 | 10.2 | 0 | 0 | 112.1 | A331 Y342 F351 S355 A356 V357 | A331-Q353 HydrophobicContact CB-CG 4.27Å; Y342-Q353 VanDerWaalsContact CD2-C 3.46Å; F351-Q353 VanDerWaalsContact C-N 3.34Å; Q353-S355 VanDerWaalsContact C-N 3.27Å; Q353-S355 VanDerWaalsContact CB-OG 3.3Å; Q353-S355 WeakPolarHBondContact CB-OG 3.31Å; Q353-S355 PolarHBondContact O-N 3.42Å; Q353-S355 PolarHBondContact OE1-OG 2.87Å; Q353-A356 WeakPolarHBondContact O-CB 3.21Å; Q353-A356 PolarHBondContact O-N 3.44Å; Q353-A356 VanDerWaalsContact O-N 3.13Å; Q353-V357 PolarHBondContact O-N 3.36Å |
| 354 | K | 85.9 | Confident | 87.4 | Confident | 149 Ų | 149 | 80.5 Ų | 80.5 | 65% | 0.648 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.1 | -33.8 | 175.5 | -65.5 | -172.1 | 178 | -173.5 | 0 | 113 | Y342 A356 V357 A358 | Y342-K354 HydrophobicContact CD1-CD 4.4Å; Y342-K354 HydrophobicContact CD1-CG 3.65Å; Y342-K354 HydrophobicContact CD2-CG 4.02Å; Y342-K354 HydrophobicContact CE1-CD 4.2Å; Y342-K354 VanDerWaalsContact CE1-CE 3.43Å; Y342-K354 HydrophobicContact CE1-CG 3.71Å; Y342-K354 HydrophobicContact CE2-CG 4.04Å; Y342-K354 HydrophobicContact CG-CG 3.81Å; K354-A356 VanDerWaalsContact C-N 3.27Å; K354-A356 PolarHBondContact O-N 2.92Å; K354-V357 PolarHBondContact O-N 3.39Å; K354-A358 PolarHBondContact O-N 3.48Å |
| 355 | S | 88.6 | Confident | 86.9 | Confident | 61 Ų | 61 | 87.5 Ų | 87.5 | 43% | 0.427 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -56.9 | -38.5 | 173.7 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | Q353 K359 | Q353-S355 VanDerWaalsContact C-N 3.27Å; Q353-S355 VanDerWaalsContact CB-OG 3.3Å; Q353-S355 WeakPolarHBondContact CB-OG 3.31Å; Q353-S355 PolarHBondContact O-N 3.42Å; Q353-S355 PolarHBondContact OE1-OG 2.87Å; S355-K359 WeakPolarHBondContact O-CG 3.28Å; S355-K359 PolarHBondContact O-N 3.07Å |
| 356 | A | 87.6 | Confident | 85.9 | Confident | 33 Ų | 33 | 88.6 Ų | 88.6 | 27% | 0.273 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -73 | -36.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F351 Q353 K354 K359 H360 | F351-A356 HydrophobicContact CB-CB 4.14Å; F351-A356 HydrophobicContact CD1-CB 3.71Å; F351-A356 HydrophobicContact CG-CB 4.22Å; Q353-A356 WeakPolarHBondContact O-CB 3.21Å; Q353-A356 PolarHBondContact O-N 3.44Å; Q353-A356 VanDerWaalsContact O-N 3.13Å; K354-A356 VanDerWaalsContact C-N 3.27Å; K354-A356 PolarHBondContact O-N 2.92Å; A356-K359 PolarHBondContact O-N 3.22Å; A356-H360 WeakPolarHBondContact O-CB 3.44Å; A356-H360 PolarHBondContact O-N 2.87Å |
| 357 | V | 87.4 | Confident | 84.9 | Confident | 12 Ų | 12 | 86.8 Ų | 86.8 | 7% | 0.073 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 170.7 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | Y342 C344 F351 Q353 K354 K359 H360 Q361 | Y342-V357 WeakPolarHBondContact O-CG2 3.47Å; C344-V357 HydrophobicContact CB-CG1 4.37Å; F351-V357 HydrophobicContact CB-CG2 3.82Å; F351-V357 HydrophobicContact CD2-CG2 3.78Å; F351-V357 HydrophobicContact CG-CG2 4.03Å; Q353-V357 PolarHBondContact O-N 3.36Å; K354-V357 PolarHBondContact O-N 3.39Å; V357-K359 VanDerWaalsContact C-N 3.33Å; V357-K359 PolarHBondContact O-N 3.38Å; V357-H360 CarbonylContact O-C 3.55Å; V357-H360 WeakPolarHBondContact O-CA 3.35Å; V357-H360 WeakPolarHBondContact O-CB 3.29Å; V357-H360 PolarHBondContact O-N 3.05Å; V357-Q361 HydrophobicContact CG1-CG 4.34Å; V357-Q361 WeakPolarHBondContact O-CG 3.42Å; V357-Q361 PolarHBondContact O-N 3.41Å |
| 358 | A | 89.3 | Confident | 83.3 | Confident | 48 Ų | 48 | 86.9 Ų | 86.9 | 40% | 0.397 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K354 W362 | K354-A358 PolarHBondContact O-N 3.48Å; A358-W362 PolarHBondContact O-NE1 3.23Å |
| 359 | K | 88.5 | Confident | 81.7 | Confident | 165 Ų | 165 | 96.4 Ų | 96.4 | 72% | 0.717 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.9 | -40.7 | 170.9 | -76 | -176.8 | 176.6 | -171.5 | 0 | 112.2 | S355 A356 V357 | S355-K359 WeakPolarHBondContact O-CG 3.28Å; S355-K359 PolarHBondContact O-N 3.07Å; A356-K359 PolarHBondContact O-N 3.22Å; V357-K359 VanDerWaalsContact C-N 3.33Å; V357-K359 PolarHBondContact O-N 3.38Å |
| 360 | H | 88.8 | Confident | 79.8 | Confident | 26 Ų | 26 | 91.8 Ų | 91.8 | 12% | 0.12 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -68.8 | -33.3 | 178.5 | 178.3 | 42.3 | 0 | 0 | 0 | 113.4 | C347 F351 A356 V357 W362 V363 H364 | C347-H360 PolarHBondContact SG-NE2 3.47Å; F351-H360 HydrophobicContact CE1-CB 4.16Å; F351-H360 HydrophobicContact CE2-CB 4.13Å; F351-H360 AromaticContact CE2-CD2 3.47Å; F351-H360 VanDerWaalsContact CE2-CD2 3.47Å; F351-H360 WeakPolarHBondContact CE2-CD2 3.48Å; F351-H360 AromaticContact CE2-CG 4Å; F351-H360 HydrophobicContact CZ-CB 3.6Å; F351-H360 AromaticContact CZ-CD2 3.39Å; F351-H360 WeakPolarHBondContact CZ-CD2 3.47Å; F351-H360 AromaticContact CZ-CG 3.5Å; A356-H360 WeakPolarHBondContact O-CB 3.44Å; A356-H360 PolarHBondContact O-N 2.87Å; V357-H360 CarbonylContact O-C 3.55Å; V357-H360 WeakPolarHBondContact O-CA 3.35Å; V357-H360 WeakPolarHBondContact O-CB 3.29Å; V357-H360 PolarHBondContact O-N 3.05Å; H360-W362 PolarHBondContact O-N 3.25Å; H360-W362 VanDerWaalsContact O-N 3.13Å; H360-V363 VanDerWaalsContact O-CB 3.26Å; H360-V363 WeakPolarHBondContact O-CB 3.42Å; H360-V363 WeakPolarHBondContact O-CG2 3.41Å; H360-V363 PolarHBondContact O-N 3.22Å; H360-H364 AromaticContact CD2-NE2 3.83Å; H360-H364 AromaticContact CE1-CE1 3.96Å; H360-H364 AromaticContact CE1-NE2 3.4Å; H360-H364 PolarHBondContact CE1-NE2 2.87Å; H360-H364 AromaticContact NE2-CE1 3.92Å; H360-H364 AromaticContact NE2-NE2 3.11Å; H360-H364 PolarHBondContact NE2-NE2 3.44Å; H360-H364 VanDerWaalsContact NE2-NE2 3.11Å |
| 361 | Q | 87.8 | Confident | 77.6 | Confident | 75 Ų | 75 | 93.2 Ų | 93.2 | 35% | 0.35 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -22.5 | 179.6 | -76.6 | 173.4 | -64.2 | 0 | 0 | 113.7 | V357 V363 H364 R365 | V357-Q361 HydrophobicContact CG1-CG 4.34Å; V357-Q361 WeakPolarHBondContact O-CG 3.42Å; V357-Q361 PolarHBondContact O-N 3.41Å; Q361-V363 PolarHBondContact O-N 2.91Å; Q361-H364 PolarHBondContact O-N 3.4Å; Q361-H364 VanDerWaalsContact O-N 3.16Å; Q361-R365 PolarHBondContact O-N 3.07Å |
| 362 | W | 87.6 | Confident | 75.7 | Confident | 157 Ų | 157 | 103.2 Ų | 103.2 | 60% | 0.595 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -64.4 | -26.7 | 171 | -66.2 | 91.6 | 0 | 0 | 0 | 113.5 | A358 H360 H364 R365 A368 | A358-W362 PolarHBondContact O-NE1 3.23Å; H360-W362 PolarHBondContact O-N 3.25Å; H360-W362 VanDerWaalsContact O-N 3.13Å; W362-H364 PolarHBondContact O-N 3.49Å; W362-R365 VanDerWaalsContact CZ3-NH1 3.3Å; W362-R365 WeakPolarHBondContact O-CB 3.5Å; W362-R365 PolarHBondContact O-N 2.96Å; W362-A368 WeakPolarHBondContact O-CB 3.39Å |
| 363 | V | 86.4 | Confident | 73.4 | Confident | 108 Ų | 108 | 105 Ų | 105 | 66% | 0.655 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -67.9 | -27.4 | 175.4 | -174.3 | 0 | 0 | 0 | 0 | 111.3 | H360 Q361 | H360-V363 VanDerWaalsContact O-CB 3.26Å; H360-V363 WeakPolarHBondContact O-CB 3.42Å; H360-V363 WeakPolarHBondContact O-CG2 3.41Å; H360-V363 PolarHBondContact O-N 3.22Å; Q361-V363 PolarHBondContact O-N 2.91Å |
| 364 | H | 84.3 | Confident | 71.2 | Confident | 59 Ų | 59 | 112.3 Ų | 112.3 | 27% | 0.273 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -92.4 | 5.5 | 176.4 | -55.9 | -60 | 0 | 0 | 0 | 113.2 | Q346 C347 H360 Q361 W362 P366 | Q346-H364 HydrophobicContact CB-CB 4.48Å; C347-H364 PolarHBondContact SG-NE2 3.46Å; H360-H364 AromaticContact CD2-NE2 3.83Å; H360-H364 AromaticContact CE1-CE1 3.96Å; H360-H364 AromaticContact CE1-NE2 3.4Å; H360-H364 PolarHBondContact CE1-NE2 2.87Å; H360-H364 AromaticContact NE2-CE1 3.92Å; H360-H364 AromaticContact NE2-NE2 3.11Å; H360-H364 PolarHBondContact NE2-NE2 3.44Å; H360-H364 VanDerWaalsContact NE2-NE2 3.11Å; Q361-H364 PolarHBondContact O-N 3.4Å; Q361-H364 VanDerWaalsContact O-N 3.16Å; W362-H364 PolarHBondContact O-N 3.49Å; H364-P366 WeakPolarHBondContact O-CD 3.36Å |
| 365 | R | 80.9 | Confident | 69 | Low | 150 Ų | 150 | 111.7 Ų | 111.7 | 57% | 0.566 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -84.4 | 119.2 | 178.1 | -174.2 | 174.5 | 179.8 | 147.6 | 3 | 109.6 | Q361 W362 G367 A368 | Q361-R365 PolarHBondContact O-N 3.07Å; W362-R365 VanDerWaalsContact CZ3-NH1 3.3Å; W362-R365 WeakPolarHBondContact O-CB 3.5Å; W362-R365 PolarHBondContact O-N 2.96Å; R365-G367 PolarHBondContact O-N 3Å; R365-A368 HydrophobicContact CB-CB 4.41Å; R365-A368 WeakPolarHBondContact O-CB 3.43Å; R365-A368 PolarHBondContact O-N 3.25Å |
| 366 | P | 68.8 | Low | 66.8 | Low | 126 Ų | 126 | 114.4 Ų | 114.4 | 82% | 0.818 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | 134.1 | 175.5 | -26.2 | 35.6 | 0 | 0 | 0 | 111.4 | H364 | H364-P366 WeakPolarHBondContact O-CD 3.36Š|
| 367 | G | 65.6 | Low | 64.2 | Low | 75 Ų | 75 | 116.6 Ų | 116.6 | 77% | 0.773 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.5 | -10.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | R365 R369 | R365-G367 PolarHBondContact O-N 3Å; G367-R369 VanDerWaalsContact C-N 3.25Å; G367-R369 PolarHBondContact O-N 3.3Å |
| 368 | A | 58.4 | Low | 61.5 | Low | 63 Ų | 63 | 119.7 Ų | 119.7 | 52% | 0.521 | 66% | 0.662 | S | S | . | * | trans | -74.8 | 65.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | W362 R365 G370 | W362-A368 WeakPolarHBondContact O-CB 3.39Å; R365-A368 HydrophobicContact CB-CB 4.41Å; R365-A368 WeakPolarHBondContact O-CB 3.43Å; R365-A368 PolarHBondContact O-N 3.25Å; A368-G370 PolarHBondContact O-N 3.37Å | ||
| 369 | R | 51.4 | Low | 58.7 | Low | 247 Ų | 247 | 125 Ų | 125 | 93% | 0.932 | 68% | 0.683 | S | S | * | * | trans | -74.2 | 119.9 | 176.3 | -77.4 | -169 | -78.2 | -157.1 | -3.1 | 111.6 | G367 | G367-R369 VanDerWaalsContact C-N 3.25Å; G367-R369 PolarHBondContact O-N 3.3Å | ||
| 370 | G | 48.7 | Very low | 56.1 | Low | 69 Ų | 69 | 122.9 Ų | 122.9 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | trans | 112.3 | 75.1 | 148 | 0 | 0 | 0 | 0 | 0 | 118.1 | A368 | A368-G370 PolarHBondContact O-N 3.37Š| ||
| 371 | H | 41.2 | Very low | 53.5 | Low | 188 Ų | 188 | 128.4 Ų | 128.4 | 87% | 0.87 | 72% | 0.722 | S | S | * | * | trans | -143.4 | 102.2 | 137.5 | -142.3 | -78.6 | 0 | 0 | 0 | 109.7 | G373 | H371-G373 VanDerWaalsContact C-N 3.29Å; H371-G373 PolarHBondContact O-N 3.3Å | ||
| 372 | R | 44.1 | Very low | 50.7 | Low | 250 Ų | 250 | 131.1 Ų | 131.1 | 94% | 0.943 | 74% | 0.744 | S | S | * | * | trans | -74.4 | 81.2 | 179 | -80 | -173.1 | 174 | -178.3 | -0.9 | 110.3 | R374 | R372-R374 PolarHBondContact O-N 2.99Š| ||
| 373 | G | 37 | Very low | 48 | Very low | 60 Ų | 60 | 132 Ų | 132 | 62% | 0.619 | 76% | 0.759 | S | S | * | * | trans | -61.8 | 118.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | H371 V375 | H371-G373 VanDerWaalsContact C-N 3.29Å; H371-G373 PolarHBondContact O-N 3.3Å; G373-V375 PolarHBondContact O-N 3.15Å | ||
| 374 | R | 37.1 | Very low | 45.2 | Very low | 237 Ų | 237 | 133.4 Ų | 133.4 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | trans | -66.3 | 93.2 | -176.6 | -170.3 | -173.5 | -162.9 | -168.7 | 6.7 | 110.3 | R372 T376 | R372-R374 PolarHBondContact O-N 2.99Å; R374-T376 PolarHBondContact O-N 2.89Å | ||
| 375 | V | 39.9 | Very low | 42.9 | Very low | 136 Ų | 136 | 137 Ų | 137 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -75.5 | 105.6 | 170.3 | -178.4 | 0 | 0 | 0 | 0 | 108 | G373 G377 | G373-V375 PolarHBondContact O-N 3.15Å; V375-G377 PolarHBondContact O-N 2.95Å | ||
| 376 | T | 42.2 | Very low | 40.4 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 119.9 | 162.8 | 46.2 | 0 | 0 | 0 | 0 | 108.4 | R374 G378 | R374-T376 PolarHBondContact O-N 2.89Å; T376-G378 PolarHBondContact O-N 3.05Å |
| 377 | G | 32.9 | Very low | 39 | Very low | 79 Ų | 79 | 134 Ų | 134 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 123.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V375 | V375-G377 PolarHBondContact O-N 2.95Š|
| 378 | G | 30.7 | Very low | 37.3 | Very low | 77 Ų | 77 | 134 Ų | 134 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 119.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | T376 | T376-G378 PolarHBondContact O-N 3.05Š|
| 379 | L | 30.5 | Very low | 35.8 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 151 | 167.9 | -75.1 | 167.6 | 0 | 0 | 0 | 109.8 | V381 | L379-V381 PolarHBondContact O-N 2.78Š|
| 380 | P | 34.2 | Very low | 34.8 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 126.5 | 176.3 | 30.1 | -33.2 | 0 | 0 | 0 | 110.4 | ||
| 381 | V | 33.3 | Very low | 33.9 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 130.5 | 168.6 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | L379 | L379-V381 PolarHBondContact O-N 2.78Š|
| 382 | T | 29.4 | Very low | 34 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 155 | -178.9 | 42.1 | 0 | 0 | 0 | 0 | 112.4 | ||
| 383 | L | 30.2 | Very low | 33.5 | Very low | 175 Ų | 175 | 130 Ų | 130 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 129.8 | -177.5 | -67.8 | 163.5 | 0 | 0 | 0 | 112.7 | ||
| 384 | T | 28.8 | Very low | 33.1 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -141.8 | 138.9 | 148.5 | 47.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 385 | P | 35.4 | Very low | 32.7 | Very low | 135 Ų | 135 | 126 Ų | 126 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -102.7 | 147.7 | 176 | 36.6 | -31.5 | 0 | 0 | 0 | 112.9 | ||||
| 386 | G | 27.7 | Very low | 32.2 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | -170.3 | 139.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 387 | P | 40.6 | Very low | 31.6 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | -96.4 | 163.1 | -171.3 | 37.7 | -35.9 | 0 | 0 | 0 | 114.1 | ||||
| 388 | G | 28.9 | Very low | 31.4 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | trans | 170.4 | 120.7 | 168 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 389 | D | 27.1 | Very low | 31.3 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | -75 | 145.3 | 178.9 | -50.5 | -94.2 | 0 | 0 | 0 | 112.3 | ||||
| 390 | L | 30.3 | Very low | 31.6 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | 177.9 | 116.2 | 143.6 | -99.4 | 156.7 | 0 | 0 | 0 | 111.9 | ||||
| 391 | E | 31.1 | Very low | 31.5 | Very low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | trans | -107.1 | 164.5 | 160.4 | -89.6 | -130.3 | 135 | 0 | 0 | 109.3 | ||||
| 392 | P | 42.6 | Very low | 31.7 | Very low | 95 Ų | 95 | 144.2 Ų | 144.2 | 62% | 0.617 | 83% | 0.825 | S | S | * | * | cis | -126.5 | -162.1 | -44.2 | 35.8 | -18.9 | 0 | 0 | 0 | 109.3 | ||||
| 393 | P | 33 | Very low | 32 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | -140.3 | 154.6 | 115.9 | 30.1 | -14.2 | 0 | 0 | 0 | 115.9 | |||||
| 394 | V | 29.6 | Very low | 32.6 | Very low | 147 Ų | 147 | 143.9 Ų | 143.9 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -53.7 | 152.2 | 173.5 | -81.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 395 | G | 27.4 | Very low | 33.1 | Very low | 65 Ų | 65 | 145.8 Ų | 145.8 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | trans | 131.6 | 76 | 138.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 396 | F | 29.6 | Very low | 33.3 | Very low | 219 Ų | 219 | 142.3 Ų | 142.3 | 96% | 0.961 | 79% | 0.785 | S | S | * | * | trans | -134.5 | 140.3 | 150.6 | -97.7 | -80.5 | 0 | 0 | 0 | 111.2 | ||||
| 397 | Q | 29.5 | Very low | 33.8 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 137.7 | -165 | -67.8 | 169.6 | -19.2 | 0 | 0 | 112.5 | Y399 | Q397-Y399 PolarHBondContact O-N 2.89Š|
| 398 | L | 28.7 | Very low | 33.4 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 116.7 | 169.6 | -69.1 | 167.1 | 0 | 0 | 0 | 109.8 | ||
| 399 | Y | 28.6 | Very low | 33.7 | Very low | 208 Ų | 208 | 149.3 Ų | 149.3 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 135.7 | 154.5 | -85.4 | -99.9 | 0 | 0 | 0 | 108.3 | Q397 E401 | Q397-Y399 PolarHBondContact O-N 2.89Å; Y399-E401 PolarHBondContact O-N 3.3Å |
| 400 | P | 37.4 | Very low | 34 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 120.2 | -175.5 | 27.8 | -33.6 | 0 | 0 | 0 | 111.3 | ||
| 401 | E | 32.2 | Very low | 34.3 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -64 | 137.2 | 157.3 | -77.7 | -143.8 | 144.5 | 0 | 0 | 108.8 | Y399 F403 | Y399-E401 PolarHBondContact O-N 3.3Å; E401-F403 VanDerWaalsContact C-N 3.34Å; E401-F403 WeakPolarHBondContact O-CD2 3.36Å; E401-F403 PolarHBondContact O-N 3.09Å |
| 402 | I | 36.6 | Very low | 34.5 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | -73 | 92.1 | 178.8 | -57.3 | 170.6 | 0 | 0 | 0 | 108 | Q404 | I402-Q404 VanDerWaalsContact C-N 3.31Å; I402-Q404 PolarHBondContact O-N 3.31Å | ||
| 403 | F | 37.1 | Very low | 33.9 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | trans | -62.7 | 93.2 | 168.6 | -79.7 | -86.4 | 0 | 0 | 0 | 109 | E401 E405 | E401-F403 VanDerWaalsContact C-N 3.34Å; E401-F403 WeakPolarHBondContact O-CD2 3.36Å; E401-F403 PolarHBondContact O-N 3.09Å; F403-E405 VanDerWaalsContact C-N 3.34Å; F403-E405 PolarHBondContact O-N 3.17Å | ||
| 404 | Q | 43.4 | Very low | 34 | Very low | 144 Ų | 144 | 150.2 Ų | 150.2 | 67% | 0.673 | 82% | 0.815 | S | S | * | * | trans | -69.8 | 95.3 | 171.1 | -176 | 173.1 | 71.2 | 0 | 0 | 108.3 | I402 | I402-Q404 VanDerWaalsContact C-N 3.31Å; I402-Q404 PolarHBondContact O-N 3.31Å | ||
| 405 | E | 39.1 | Very low | 34.3 | Very low | 179 Ų | 179 | 150.5 Ų | 150.5 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -54 | 148.5 | -179.6 | -59.7 | -168 | 121.4 | 0 | 0 | 111.9 | F403 G407 | F403-E405 VanDerWaalsContact C-N 3.34Å; F403-E405 PolarHBondContact O-N 3.17Å; E405-G407 PolarHBondContact O-N 3.24Å | ||
| 406 | C | 39.1 | Very low | 34.9 | Very low | 63 Ų | 63 | 157.6 Ų | 157.6 | 43% | 0.426 | 82% | 0.82 | S | S | . | * | trans | -96.2 | 85.2 | -170.8 | -50.2 | 0 | 0 | 0 | 0 | 110.6 | C322 | C322-C406 HydrophobicContact CB-CB 4.07Å; C322-C406 WeakPolarHBondContact CB-SG 3.42Å; C322-C406 WeakPolarHBondContact SG-CB 3.33Å; C322-C406 CovalentContact SG-SG 2.03Å; C322-C406 PolarHBondContact SG-SG 3.09Å | ||
| 407 | G | 37.5 | Very low | 35.4 | Very low | 134 Ų | 134 | 152 Ų | 152 | 100% | 1.381 | 81% | 0.808 | S | S | * | * | trans | -72.3 | 0 | 158.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E405 | E405-G407 PolarHBondContact O-N 3.24Š|
Retrieved 407 of 407 residues in 126.1 ms
(Link to these results)