| 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 | 50.8 | Low | 45.4 | Very low | 241 Ų | 241 | 144.6 Ų | 144.6 | 100% | 1.187 | 84% | 0.838 | S | S | * | * | 0 | 118.1 | 0 | -81 | 178.7 | 160.7 | 0 | 0 | 107.4 | |||||
| 2 | S | 45.3 | Very low | 44.5 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | 33.7 | 99 | 168.8 | 63.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 3 | S | 40.1 | Very low | 44.6 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -46.4 | 152 | 139.2 | 28.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 4 | S | 49.9 | Very low | 44.4 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | -172.3 | 110.3 | 129.6 | 56.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 5 | E | 43.3 | Very low | 43.8 | Very low | 199 Ų | 199 | 133.4 Ų | 133.4 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | trans | -64.5 | 150.5 | 159 | -66.6 | 164.5 | 114 | 0 | 0 | 110.5 | ||||
| 6 | A | 48.5 | Very low | 43.7 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | trans | -142.4 | 108.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 7 | S | 43.7 | Very low | 43.2 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | -87.1 | 133.5 | 169.8 | 134.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 8 | T | 46.1 | Very low | 42.9 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 69% | 0.693 | 82% | 0.821 | S | S | * | * | trans | 176.5 | 143.8 | 154.6 | 32 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 9 | Q | 44.9 | Very low | 42.6 | Very low | 153 Ų | 153 | 138 Ų | 138 | 72% | 0.715 | 82% | 0.821 | S | S | * | * | cis | -165.4 | 139.9 | 0.3 | -118 | 162.2 | -16.1 | 0 | 0 | 105.4 | H11 | Q9-H11 PolarHBondContact O-N 3.37Š| ||
| 10 | D | 40.1 | Very low | 42.1 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -60.9 | 122 | 169.8 | -174.4 | 16.5 | 0 | 0 | 0 | 110.1 | ||||
| 11 | H | 46.4 | Very low | 41.9 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 75% | 0.75 | 81% | 0.813 | S | S | * | * | trans | -121.6 | 100.5 | 168.5 | -80.9 | -45.9 | 0 | 0 | 0 | 108.5 | Q9 V13 | Q9-H11 PolarHBondContact O-N 3.37Å; H11-V13 PolarHBondContact O-N 3.09Å | ||
| 12 | G | 35 | Very low | 41 | Very low | 69 Ų | 69 | 130.5 Ų | 130.5 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 129.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 13 | V | 45.2 | Very low | 40.6 | Very low | 136 Ų | 136 | 131 Ų | 131 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 124.7 | 163.5 | -176.9 | 0 | 0 | 0 | 0 | 106.7 | H11 A15 | H11-V13 PolarHBondContact O-N 3.09Å; V13-A15 PolarHBondContact O-N 3.45Å |
| 14 | P | 42.2 | Very low | 40.3 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 135.4 | -177.6 | 28.1 | -33 | 0 | 0 | 0 | 109.9 | L16 | P14-L16 PolarHBondContact O-N 3.11Š|
| 15 | A | 36.1 | Very low | 39.8 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -54.8 | 110.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | V13 E17 | V13-A15 PolarHBondContact O-N 3.45Å; A15-E17 PolarHBondContact O-N 3.19Å | ||
| 16 | L | 41.6 | Very low | 39.3 | Very low | 169 Ų | 169 | 127.4 Ų | 127.4 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | trans | -73.3 | 107.1 | 165.9 | -79.6 | 165.5 | 0 | 0 | 0 | 106.7 | P14 A18 | P14-L16 PolarHBondContact O-N 3.11Å; L16-A18 PolarHBondContact O-N 2.87Å | ||
| 17 | E | 35.8 | Very low | 38.7 | Very low | 179 Ų | 179 | 128.4 Ų | 128.4 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | trans | -48 | 109.1 | 165.4 | -73.3 | 176.2 | 140.6 | 0 | 0 | 108.7 | A15 Q19 | A15-E17 PolarHBondContact O-N 3.19Å; E17-Q19 VanDerWaalsContact C-N 3.34Å; E17-Q19 PolarHBondContact O-N 3.17Å | ||
| 18 | A | 38.1 | Very low | 38.2 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | trans | -64.6 | 99.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | L16 D20 | L16-A18 PolarHBondContact O-N 2.87Å; A18-D20 PolarHBondContact O-N 3.18Å | ||
| 19 | Q | 37.1 | Very low | 37.9 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -65.6 | 104.6 | 164.7 | -72.6 | -171.6 | -29.1 | 0 | 0 | 107.3 | E17 S21 | E17-Q19 VanDerWaalsContact C-N 3.34Å; E17-Q19 PolarHBondContact O-N 3.17Å; Q19-S21 VanDerWaalsContact C-N 3.3Å; Q19-S21 PolarHBondContact O-N 3.1Å | ||
| 20 | D | 32.2 | Very low | 38 | Very low | 147 Ų | 147 | 124.4 Ų | 124.4 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | trans | -59.3 | 87.7 | 168.9 | -166.6 | 16.2 | 0 | 0 | 0 | 108.9 | A18 | A18-D20 PolarHBondContact O-N 3.18Š| ||
| 21 | S | 38.7 | Very low | 38.3 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | trans | -101.5 | 92.2 | 165.8 | 66.1 | 0 | 0 | 0 | 0 | 107.8 | Q19 D23 | Q19-S21 VanDerWaalsContact C-N 3.3Å; Q19-S21 PolarHBondContact O-N 3.1Å; S21-D23 PolarHBondContact O-N 3.22Å | ||
| 22 | T | 31.8 | Very low | 38.3 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | trans | -64.8 | 79.7 | 166.9 | 54.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 23 | D | 36.3 | Very low | 39 | Very low | 129 Ų | 129 | 119 Ų | 119 | 69% | 0.69 | 71% | 0.707 | S | S | * | * | trans | -99.5 | 80 | 160.8 | -81.7 | -28.9 | 0 | 0 | 0 | 108.2 | S21 H25 | S21-D23 PolarHBondContact O-N 3.22Å; D23-H25 VanDerWaalsContact C-N 3.3Å; D23-H25 PolarHBondContact O-N 3.37Å | ||
| 24 | D | 34.3 | Very low | 39.7 | Very low | 143 Ų | 143 | 116.2 Ų | 116.2 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | trans | -61 | 90.8 | 164 | 178.3 | 21.2 | 0 | 0 | 0 | 108.8 | G26 | D24-G26 VanDerWaalsContact C-N 3.33Å; D24-G26 PolarHBondContact OD1-N 2.99Å | ||
| 25 | H | 38.9 | Very low | 40.5 | Very low | 164 Ų | 164 | 115.3 Ų | 115.3 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | trans | -100.9 | 59.3 | 159.6 | -69.2 | -28.7 | 0 | 0 | 0 | 108.8 | D23 V27 | D23-H25 VanDerWaalsContact C-N 3.3Å; D23-H25 PolarHBondContact O-N 3.37Å; H25-V27 PolarHBondContact O-N 2.67Å; H25-V27 VanDerWaalsContact O-N 3.15Å | ||
| 26 | G | 31.7 | Very low | 42 | Very low | 49 Ų | 49 | 116.7 Ų | 116.7 | 51% | 0.505 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -48 | 119.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | D24 P28 | D24-G26 VanDerWaalsContact C-N 3.33Å; D24-G26 PolarHBondContact OD1-N 2.99Å; G26-P28 WeakPolarHBondContact O-CD 3.42Å |
| 27 | V | 37.1 | Very low | 42.9 | Very low | 128 Ų | 128 | 110.2 Ų | 110.2 | 78% | 0.776 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 117 | 169.8 | 179.9 | 0 | 0 | 0 | 0 | 105.9 | H25 A29 | H25-V27 PolarHBondContact O-N 2.67Å; H25-V27 VanDerWaalsContact O-N 3.15Å; V27-A29 PolarHBondContact O-N 3.44Å |
| 28 | P | 33.2 | Very low | 44.2 | Very low | 108 Ų | 108 | 101.7 Ų | 101.7 | 70% | 0.701 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 124.8 | -179.3 | 22.5 | -30.6 | 0 | 0 | 0 | 106.8 | G26 L30 | G26-P28 WeakPolarHBondContact O-CD 3.42Å; P28-L30 PolarHBondContact O-N 2.99Å |
| 29 | A | 39.2 | Very low | 45.8 | Very low | 94 Ų | 94 | 99 Ų | 99 | 78% | 0.777 | 58% | 0.578 | S | S | * | * | trans | -49.1 | 111.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | V27 E31 | V27-A29 PolarHBondContact O-N 3.44Å; A29-E31 PolarHBondContact O-N 3.42Å | ||
| 30 | L | 47.7 | Very low | 47.4 | Very low | 93 Ų | 93 | 97.5 Ų | 97.5 | 49% | 0.487 | 57% | 0.568 | S | S | . | * | trans | -57.7 | 102.2 | 178.8 | -96.5 | 124.5 | 0 | 0 | 0 | 107.1 | P28 A32 | P28-L30 PolarHBondContact O-N 2.99Å; L30-A32 PolarHBondContact O-N 3.5Å | ||
| 31 | E | 45.3 | Very low | 49 | Very low | 179 Ų | 179 | 91.9 Ų | 91.9 | 84% | 0.836 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -49.4 | 131.7 | 177.8 | -79.6 | -171.6 | 155.4 | 0 | 0 | 109.2 | A29 P33 | A29-E31 PolarHBondContact O-N 3.42Å; E31-P33 WeakPolarHBondContact O-CD 3.49Å |
| 32 | A | 46.8 | Very low | 50.4 | Low | 66 Ų | 66 | 87.4 Ų | 87.4 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 119.8 | 180 | 0 | 0 | 0 | 0 | 0 | 109.1 | L30 T34 | L30-A32 PolarHBondContact O-N 3.5Å; A32-T34 PolarHBondContact O-N 3.14Å |
| 33 | P | 50.1 | Low | 52.5 | Low | 25 Ų | 25 | 83.2 Ų | 83.2 | 16% | 0.162 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 131.9 | -173.6 | 21.5 | -30.3 | 0 | 0 | 0 | 110.4 | E31 A37 V343 K346 | E31-P33 WeakPolarHBondContact O-CD 3.49Å; P33-A37 HydrophobicContact CB-CB 3.69Å; P33-V343 HydrophobicContact CG-CB 3.96Å; P33-V343 HydrophobicContact CG-CG1 3.73Å; P33-V343 HydrophobicContact CG-CG2 3.23Å; P33-K346 PolarHBondContact O-NZ 3.04Å |
| 34 | T | 59.1 | Low | 54.2 | Low | 77 Ų | 77 | 79.7 Ų | 79.7 | 47% | 0.472 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 152 | 171.9 | 63.6 | 0 | 0 | 0 | 0 | 110.3 | A32 E36 A37 T38 K346 | A32-T34 PolarHBondContact O-N 3.14Å; T34-E36 PolarHBondContact O-N 3.2Å; T34-A37 PolarHBondContact O-N 3.11Å; T34-A37 PolarHBondContact OG1-N 2.82Å; T34-T38 PolarHBondContact O-N 2.97Å; T34-K346 VanDerWaalsContact C-NZ 3.34Å; T34-K346 PolarHBondContact O-NZ 3.22Å |
| 35 | P | 60.6 | Low | 55.8 | Low | 89 Ų | 89 | 74 Ų | 74 | 58% | 0.578 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -41.3 | -38 | 167.9 | -30.9 | 37.5 | 0 | 0 | 0 | 113.6 | D39 K346 | P35-D39 WeakPolarHBondContact O-CB 3.29Å; P35-D39 PolarHBondContact O-N 3.37Å; P35-D39 VanDerWaalsContact O-N 3.07Å; P35-K346 VanDerWaalsContact N-NZ 3.16Å |
| 36 | E | 66.3 | Low | 57.2 | Low | 127 Ų | 127 | 67.2 Ų | 67.2 | 59% | 0.593 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66.2 | -39.6 | 177.8 | -60 | 177.5 | 174.2 | 0 | 0 | 113.6 | T34 D39 K40 | T34-E36 PolarHBondContact O-N 3.2Å; E36-D39 PolarHBondContact O-N 2.75Å; E36-K40 WeakPolarHBondContact O-CB 3.38Å; E36-K40 WeakPolarHBondContact O-CG 3.49Å; E36-K40 PolarHBondContact O-N 2.83Å |
| 37 | A | 61.9 | Low | 59.1 | Low | 32 Ų | 32 | 74 Ų | 74 | 26% | 0.264 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P33 T34 K40 V41 | P33-A37 HydrophobicContact CB-CB 3.69Å; T34-A37 PolarHBondContact O-N 3.11Å; T34-A37 PolarHBondContact OG1-N 2.82Å; A37-K40 PolarHBondContact O-N 3.25Å; A37-V41 PolarHBondContact O-N 3.13Å |
| 38 | T | 61.9 | Low | 60.5 | Low | 1 Ų | 1 | 73.3 Ų | 73.3 | 1% | 0.006 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 173.8 | -44.8 | 0 | 0 | 0 | 0 | 111.5 | T34 K40 V41 L42 K346 V347 F379 | T34-T38 PolarHBondContact O-N 2.97Å; T38-K40 PolarHBondContact O-N 3.21Å; T38-V41 PolarHBondContact O-N 3.27Å; T38-L42 PolarHBondContact O-N 2.86Å; T38-L42 VanDerWaalsContact O-N 3.1Å; T38-K346 HydrophobicContact CG2-CD 4.5Å; T38-K346 WeakPolarHBondContact OG1-CE 3.4Å; T38-K346 PolarHBondContact OG1-NZ 2.94Å; T38-V347 HydrophobicContact CG2-CG2 3.69Å; T38-F379 HydrophobicContact CG2-CE2 4.23Å |
| 39 | D | 71.5 | Confident | 61.9 | Low | 41 Ų | 41 | 69.9 Ų | 69.9 | 22% | 0.219 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.3 | -36 | 177.3 | -84.3 | -23.8 | 0 | 0 | 0 | 112.9 | P35 E36 A43 K359 Y360 | P35-D39 WeakPolarHBondContact O-CB 3.29Å; P35-D39 PolarHBondContact O-N 3.37Å; P35-D39 VanDerWaalsContact O-N 3.07Å; E36-D39 PolarHBondContact O-N 2.75Å; D39-A43 WeakPolarHBondContact O-CB 3.44Å; D39-A43 PolarHBondContact O-N 3.06Å; D39-K359 IonicContact OD1-NZ 2.66Å; D39-K359 PolarHBondContact OD1-NZ 3.26Å; D39-K359 IonicContact OD2-NZ 2.92Å; D39-K359 PolarHBondContact OD2-NZ 3.12Å; D39-Y360 PolarHBondContact O-OH 3.39Å |
| 40 | K | 71.2 | Confident | 63.4 | Low | 144 Ų | 144 | 73.8 Ų | 73.8 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.6 | -43.8 | 176.1 | -80.8 | 170 | -176.6 | 173.9 | 0 | 111.2 | E36 A37 T38 A43 A44 | E36-K40 WeakPolarHBondContact O-CB 3.38Å; E36-K40 WeakPolarHBondContact O-CG 3.49Å; E36-K40 PolarHBondContact O-N 2.83Å; A37-K40 PolarHBondContact O-N 3.25Å; T38-K40 PolarHBondContact O-N 3.21Å; K40-A43 PolarHBondContact O-N 3.37Å; K40-A44 WeakPolarHBondContact O-CB 3.27Å; K40-A44 PolarHBondContact O-N 3.31Å |
| 41 | V | 65.2 | Low | 64.4 | Low | 28 Ų | 28 | 77 Ų | 77 | 17% | 0.17 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.7 | -46.9 | 178.6 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | A37 T38 A43 A44 M45 F379 A382 | A37-V41 PolarHBondContact O-N 3.13Å; T38-V41 PolarHBondContact O-N 3.27Å; V41-A43 VanDerWaalsContact C-N 3.26Å; V41-A43 PolarHBondContact O-N 3.01Å; V41-A44 WeakPolarHBondContact O-CA 3.41Å; V41-A44 WeakPolarHBondContact O-CB 3.36Å; V41-A44 PolarHBondContact O-N 3.46Å; V41-M45 HydrophobicContact CG1-CG 4.49Å; V41-M45 HydrophobicContact CG1-SD 4.26Å; V41-M45 WeakPolarHBondContact O-CG 3.32Å; V41-M45 PolarHBondContact O-N 3.35Å; V41-F379 HydrophobicContact CB-CD2 3.82Å; V41-F379 HydrophobicContact CB-CE2 3.31Å; V41-F379 HydrophobicContact CB-CZ 3.76Å; V41-F379 HydrophobicContact CG1-CD1 4.26Å; V41-F379 HydrophobicContact CG1-CD2 3.26Å; V41-F379 HydrophobicContact CG1-CE1 4.36Å; V41-F379 HydrophobicContact CG1-CE2 3.34Å; V41-F379 HydrophobicContact CG1-CG 3.76Å; V41-F379 HydrophobicContact CG1-CZ 3.91Å; V41-F379 HydrophobicContact CG2-CE1 4.41Å; V41-F379 HydrophobicContact CG2-CE2 3.9Å; V41-F379 HydrophobicContact CG2-CZ 3.77Å; V41-A382 HydrophobicContact CG1-CB 4.26Å |
| 42 | L | 69.6 | Low | 65.2 | Low | 5 Ų | 5 | 77.1 Ų | 77.1 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.4 | -37.9 | 174.9 | -71.8 | 172.1 | 0 | 0 | 0 | 112 | T38 M45 A46 Y360 V375 | T38-L42 PolarHBondContact O-N 2.86Å; T38-L42 VanDerWaalsContact O-N 3.1Å; L42-M45 HydrophobicContact CD2-SD 4.3Å; L42-M45 PolarHBondContact O-N 3.4Å; L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 2.73Å; L42-Y360 HydrophobicContact CB-CD2 3.88Å; L42-Y360 HydrophobicContact CB-CE1 4.44Å; L42-Y360 HydrophobicContact CB-CE2 3.44Å; L42-Y360 VanDerWaalsContact CB-CE2 3.44Å; L42-Y360 HydrophobicContact CD1-CD2 4.35Å; L42-Y360 HydrophobicContact CD1-CE2 3.9Å; L42-Y360 HydrophobicContact CG-CE2 4.29Å; L42-V375 HydrophobicContact CD2-CG1 3.86Å |
| 43 | A | 75.4 | Confident | 66 | Low | 26 Ų | 26 | 79 Ų | 79 | 22% | 0.215 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.2 | -36.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D39 K40 V41 A46 R47 Y360 | D39-A43 WeakPolarHBondContact O-CB 3.44Å; D39-A43 PolarHBondContact O-N 3.06Å; K40-A43 PolarHBondContact O-N 3.37Å; V41-A43 VanDerWaalsContact C-N 3.26Å; V41-A43 PolarHBondContact O-N 3.01Å; A43-A46 WeakPolarHBondContact O-CB 3.45Å; A43-A46 PolarHBondContact O-N 2.82Å; A43-R47 VanDerWaalsContact O-CG 3.3Å; A43-R47 WeakPolarHBondContact O-CG 3.39Å; A43-R47 PolarHBondContact O-N 2.77Å; A43-Y360 HydrophobicContact CB-CE1 3.89Å |
| 44 | A | 71.5 | Confident | 66.9 | Low | 55 Ų | 55 | 81.9 Ų | 81.9 | 46% | 0.455 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K40 V41 A46 R47 L48 | K40-A44 WeakPolarHBondContact O-CB 3.27Å; K40-A44 PolarHBondContact O-N 3.31Å; V41-A44 WeakPolarHBondContact O-CA 3.41Å; V41-A44 WeakPolarHBondContact O-CB 3.36Å; V41-A44 PolarHBondContact O-N 3.46Å; A44-A46 VanDerWaalsContact C-N 3.33Å; A44-A46 PolarHBondContact O-N 3.2Å; A44-R47 WeakPolarHBondContact O-CB 3.32Å; A44-R47 PolarHBondContact O-N 3.36Å; A44-R47 VanDerWaalsContact O-N 3.15Å; A44-L48 PolarHBondContact O-N 2.86Å |
| 45 | M | 67.1 | Low | 67.1 | Low | 24 Ų | 24 | 82.3 Ų | 82.3 | 12% | 0.118 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.8 | -46.3 | 171.3 | -67.7 | 172.4 | 62.3 | 0 | 0 | 110.8 | V41 L42 R47 L48 A49 T363 V375 E378 | V41-M45 HydrophobicContact CG1-CG 4.49Å; V41-M45 HydrophobicContact CG1-SD 4.26Å; V41-M45 WeakPolarHBondContact O-CG 3.32Å; V41-M45 PolarHBondContact O-N 3.35Å; L42-M45 HydrophobicContact CD2-SD 4.3Å; L42-M45 PolarHBondContact O-N 3.4Å; M45-R47 VanDerWaalsContact C-N 3.29Å; M45-R47 PolarHBondContact O-N 2.99Å; M45-L48 PolarHBondContact O-N 3.48Å; M45-L48 VanDerWaalsContact O-N 3.12Å; M45-A49 PolarHBondContact O-N 2.96Å; M45-T363 WeakPolarHBondContact O-CG2 3.27Å; M45-V375 HydrophobicContact CE-CG1 4.49Å; M45-E378 HydrophobicContact CE-CB 3.31Å; M45-E378 HydrophobicContact CE-CG 4.15Å; M45-E378 HydrophobicContact SD-CB 4.32Å |
| 46 | A | 68.2 | Low | 66.7 | Low | 21 Ų | 21 | 82.2 Ų | 82.2 | 17% | 0.174 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.5 | -41.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L42 A43 A44 R50 Y360 T363 | L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 2.73Å; A43-A46 WeakPolarHBondContact O-CB 3.45Å; A43-A46 PolarHBondContact O-N 2.82Å; A44-A46 VanDerWaalsContact C-N 3.33Å; A44-A46 PolarHBondContact O-N 3.2Å; A46-R50 VanDerWaalsContact O-CB 3.26Å; A46-R50 WeakPolarHBondContact O-CB 3.48Å; A46-R50 PolarHBondContact O-N 3.42Å; A46-Y360 HydrophobicContact CB-CD1 3.85Å; A46-T363 VanDerWaalsContact CA-CG2 3.4Å; A46-T363 HydrophobicContact CB-CG2 4.23Å |
| 47 | R | 71.9 | Confident | 66.6 | Low | 192 Ų | 192 | 85.1 Ų | 85.1 | 73% | 0.725 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.2 | -42.2 | 175.2 | -69.8 | 169.9 | -173.1 | -168.2 | 2.1 | 112 | A43 A44 M45 R50 R51 | A43-R47 VanDerWaalsContact O-CG 3.3Å; A43-R47 WeakPolarHBondContact O-CG 3.39Å; A43-R47 PolarHBondContact O-N 2.77Å; A44-R47 WeakPolarHBondContact O-CB 3.32Å; A44-R47 PolarHBondContact O-N 3.36Å; A44-R47 VanDerWaalsContact O-N 3.15Å; M45-R47 VanDerWaalsContact C-N 3.29Å; M45-R47 PolarHBondContact O-N 2.99Å; R47-R50 PolarHBondContact O-N 3.46Å; R47-R51 WeakPolarHBondContact O-CB 3.45Å; R47-R51 PolarHBondContact O-N 3.31Å |
| 48 | L | 68.1 | Low | 66.8 | Low | 112 Ų | 112 | 94.3 Ų | 94.3 | 59% | 0.586 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.6 | -47.9 | 179.6 | -165.6 | 84.7 | 0 | 0 | 0 | 111.3 | A44 M45 R50 R51 R52 | A44-L48 PolarHBondContact O-N 2.86Å; M45-L48 PolarHBondContact O-N 3.48Å; M45-L48 VanDerWaalsContact O-N 3.12Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.87Å; L48-R51 WeakPolarHBondContact O-CB 3.41Å; L48-R51 PolarHBondContact O-N 2.97Å; L48-R51 VanDerWaalsContact O-N 3.12Å; L48-R52 PolarHBondContact O-N 3.02Å |
| 49 | A | 62.1 | Low | 66.6 | Low | 36 Ų | 36 | 100.7 Ų | 100.7 | 30% | 0.298 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M45 R51 R52 R53 T363 | M45-A49 PolarHBondContact O-N 2.96Å; A49-R51 VanDerWaalsContact C-N 3.33Å; A49-R51 PolarHBondContact O-N 2.87Å; A49-R52 PolarHBondContact O-N 2.76Å; A49-R53 PolarHBondContact O-N 2.72Å; A49-T363 HydrophobicContact CB-CG2 3.26Å |
| 50 | R | 69.5 | Low | 65.1 | Low | 177 Ų | 177 | 101.7 Ų | 101.7 | 67% | 0.668 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60 | -43.1 | 172 | -177 | 179.3 | 175.2 | -170.3 | -1.1 | 111.4 | A46 R47 L48 R53 L54 | A46-R50 VanDerWaalsContact O-CB 3.26Å; A46-R50 WeakPolarHBondContact O-CB 3.48Å; A46-R50 PolarHBondContact O-N 3.42Å; R47-R50 PolarHBondContact O-N 3.46Å; L48-R50 VanDerWaalsContact C-N 3.34Å; L48-R50 PolarHBondContact O-N 2.87Å; R50-R53 PolarHBondContact O-N 2.89Å; R50-L54 HydrophobicContact CG-CD1 4.31Å; R50-L54 WeakPolarHBondContact O-CG 3.32Å; R50-L54 PolarHBondContact O-N 2.66Å |
| 51 | R | 70.2 | Confident | 63.6 | Low | 161 Ų | 161 | 104.8 Ų | 104.8 | 61% | 0.608 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.9 | -48.5 | 176.8 | -170.5 | -175.5 | -175.5 | 176.8 | 12.6 | 111.2 | R47 L48 A49 R53 L54 E55 | R47-R51 WeakPolarHBondContact O-CB 3.45Å; R47-R51 PolarHBondContact O-N 3.31Å; L48-R51 WeakPolarHBondContact O-CB 3.41Å; L48-R51 PolarHBondContact O-N 2.97Å; L48-R51 VanDerWaalsContact O-N 3.12Å; A49-R51 VanDerWaalsContact C-N 3.33Å; A49-R51 PolarHBondContact O-N 2.87Å; R51-R53 VanDerWaalsContact C-N 3.31Å; R51-R53 PolarHBondContact O-N 3.46Å; R51-L54 PolarHBondContact O-N 3.34Å; R51-L54 VanDerWaalsContact O-N 3.1Å; R51-E55 IonicContact CZ-OE1 3.6Å; R51-E55 IonicContact NE-OE1 2.72Å; R51-E55 PolarHBondContact NE-OE1 2.69Å; R51-E55 VanDerWaalsContact NE-OE1 3.13Å; R51-E55 PolarHBondContact O-N 3.34Å |
| 52 | R | 61.3 | Low | 62.2 | Low | 180 Ų | 180 | 109.6 Ų | 109.6 | 68% | 0.679 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.3 | -41.8 | 177.1 | -168.7 | 175.7 | -180 | -175 | -0.1 | 111.6 | L48 A49 E55 L56 | L48-R52 PolarHBondContact O-N 3.02Å; A49-R52 PolarHBondContact O-N 2.76Å; R52-E55 PolarHBondContact O-N 2.89Å; R52-L56 VanDerWaalsContact O-CG 3.3Å; R52-L56 WeakPolarHBondContact O-CG 3.42Å; R52-L56 PolarHBondContact O-N 3.46Å |
| 53 | R | 63.9 | Low | 60.5 | Low | 106 Ų | 106 | 113.5 Ų | 113.5 | 40% | 0.4 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 175.2 | -168.1 | -174.5 | -76.2 | 175.2 | 4.6 | 112.4 | A49 R50 R51 R57 E362 | A49-R53 PolarHBondContact O-N 2.72Å; R50-R53 PolarHBondContact O-N 2.89Å; R51-R53 VanDerWaalsContact C-N 3.31Å; R51-R53 PolarHBondContact O-N 3.46Å; R53-R57 WeakPolarHBondContact O-CG 3.46Å; R53-R57 PolarHBondContact O-N 2.89Å; R53-E362 IonicContact CZ-OE2 3.02Å; R53-E362 IonicContact NH1-OE1 3.49Å; R53-E362 IonicContact NH1-OE2 2.68Å; R53-E362 PolarHBondContact NH1-OE2 3.39Å; R53-E362 IonicContact NH2-OE2 3.51Å; R53-E362 PolarHBondContact NH2-OE2 3.37Å |
| 54 | L | 67.6 | Low | 58.5 | Low | 85 Ų | 85 | 118.1 Ų | 118.1 | 45% | 0.445 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.7 | -37.4 | 176.1 | -70.9 | 171.3 | 0 | 0 | 0 | 112.2 | R50 R51 R57 R58 | R50-L54 HydrophobicContact CG-CD1 4.31Å; R50-L54 WeakPolarHBondContact O-CG 3.32Å; R50-L54 PolarHBondContact O-N 2.66Å; R51-L54 PolarHBondContact O-N 3.34Å; R51-L54 VanDerWaalsContact O-N 3.1Å; L54-R57 PolarHBondContact O-N 3.16Å; L54-R58 PolarHBondContact O-N 3.12Å |
| 55 | E | 63.7 | Low | 56.6 | Low | 86 Ų | 86 | 122.8 Ų | 122.8 | 40% | 0.402 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66 | -43.5 | 174.5 | -75.7 | 171.9 | -175.8 | 0 | 0 | 111.6 | R51 R52 R57 R58 L59 | R51-E55 IonicContact CZ-OE1 3.6Å; R51-E55 IonicContact NE-OE1 2.72Å; R51-E55 PolarHBondContact NE-OE1 2.69Å; R51-E55 VanDerWaalsContact NE-OE1 3.13Å; R51-E55 PolarHBondContact O-N 3.34Å; R52-E55 PolarHBondContact O-N 2.89Å; E55-R57 VanDerWaalsContact C-N 3.31Å; E55-R57 PolarHBondContact O-N 3.16Å; E55-R58 PolarHBondContact O-N 3.47Å; E55-R58 VanDerWaalsContact O-N 3.14Å; E55-L59 WeakPolarHBondContact O-CB 3.25Å; E55-L59 WeakPolarHBondContact O-CG 3.44Å; E55-L59 PolarHBondContact O-N 3.41Å |
| 56 | L | 53 | Low | 54.8 | Low | 88 Ų | 88 | 124.8 Ų | 124.8 | 46% | 0.461 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -59.7 | -40.4 | 173.3 | -71.9 | 169.6 | 0 | 0 | 0 | 112.2 | R52 L59 | R52-L56 VanDerWaalsContact O-CG 3.3Å; R52-L56 WeakPolarHBondContact O-CG 3.42Å; R52-L56 PolarHBondContact O-N 3.46Å; L56-L59 PolarHBondContact O-N 3.46Å |
| 57 | R | 64.6 | Low | 53.1 | Low | 187 Ų | 187 | 128.8 Ų | 128.8 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.8 | -40.3 | 173.3 | -77.8 | -178.2 | 170 | -175.1 | -2.6 | 112.6 | R53 L54 E55 L59 G60 | R53-R57 WeakPolarHBondContact O-CG 3.46Å; R53-R57 PolarHBondContact O-N 2.89Å; L54-R57 PolarHBondContact O-N 3.16Å; E55-R57 VanDerWaalsContact C-N 3.31Å; E55-R57 PolarHBondContact O-N 3.16Å; R57-L59 VanDerWaalsContact C-N 3.35Å; R57-G60 PolarHBondContact O-N 2.85Å |
| 58 | R | 66.4 | Low | 51.1 | Low | 226 Ų | 226 | 129.2 Ų | 129.2 | 85% | 0.853 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.3 | -35.3 | 175.9 | -81.6 | -176.9 | 175.5 | -175.1 | -1.6 | 112.7 | L54 E55 G60 | L54-R58 PolarHBondContact O-N 3.12Å; E55-R58 PolarHBondContact O-N 3.47Å; E55-R58 VanDerWaalsContact O-N 3.14Å; R58-G60 PolarHBondContact O-N 3.38Å |
| 59 | L | 56.7 | Low | 49.4 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 71% | 0.707 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 9.5 | 178.9 | -71 | 168 | 0 | 0 | 0 | 113.5 | E55 L56 R57 R61 | E55-L59 WeakPolarHBondContact O-CB 3.25Å; E55-L59 WeakPolarHBondContact O-CG 3.44Å; E55-L59 PolarHBondContact O-N 3.41Å; L56-L59 PolarHBondContact O-N 3.46Å; R57-L59 VanDerWaalsContact C-N 3.35Å; L59-R61 PolarHBondContact O-N 3.4Å |
| 60 | G | 40.6 | Very low | 47.9 | Very low | 61 Ų | 61 | 134.3 Ų | 134.3 | 63% | 0.629 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.4 | 11.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R57 R58 T62 | R57-G60 PolarHBondContact O-N 2.85Å; R58-G60 PolarHBondContact O-N 3.38Å; G60-T62 PolarHBondContact O-N 3.21Å |
| 61 | R | 39.8 | Very low | 46.2 | Very low | 210 Ų | 210 | 132.3 Ų | 132.3 | 79% | 0.792 | 71% | 0.706 | S | S | * | * | trans | -89.1 | 84.3 | 174.6 | -80.5 | -174.9 | 170.1 | -168.2 | -2.3 | 109.8 | L59 A63 | L59-R61 PolarHBondContact O-N 3.4Å; R61-A63 PolarHBondContact O-N 3.01Å | ||
| 62 | T | 36.2 | Very low | 44.3 | Very low | 129 Ų | 129 | 129 Ų | 129 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | trans | -70.8 | 110.4 | 159.8 | 51.4 | 0 | 0 | 0 | 0 | 108.2 | G60 | G60-T62 PolarHBondContact O-N 3.21Š| ||
| 63 | A | 32 | Very low | 42.9 | Very low | 87 Ų | 87 | 128.6 Ų | 128.6 | 72% | 0.719 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 135.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | R61 V65 | R61-A63 PolarHBondContact O-N 3.01Å; A63-V65 PolarHBondContact O-N 2.94Å |
| 64 | P | 35.2 | Very low | 41.1 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 125.2 | -173.9 | 28.3 | -31.4 | 0 | 0 | 0 | 109.9 | ||
| 65 | V | 31.2 | Very low | 39.5 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 93% | 0.927 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 118.1 | 155.2 | 174.2 | 0 | 0 | 0 | 0 | 105.8 | A63 | A63-V65 PolarHBondContact O-N 2.94Š|
| 66 | G | 29.5 | Very low | 37.9 | Very low | 66 Ų | 66 | 143.1 Ų | 143.1 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | trans | 137.2 | 100.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 67 | A | 31.9 | Very low | 37.1 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -152.1 | 107.3 | 136 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 68 | E | 30.6 | Very low | 35.7 | Very low | 201 Ų | 201 | 142.3 Ų | 142.3 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | trans | -72.1 | 159 | 171.4 | -60.9 | -171.3 | 141.4 | 0 | 0 | 111.2 | ||||
| 69 | G | 30.6 | Very low | 34.1 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | 109.6 | 129 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 70 | E | 32.3 | Very low | 33 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | cis | -170.1 | 151 | 12 | -143.8 | 179.5 | 168.9 | 0 | 0 | 107.6 | ||||
| 71 | V | 34 | Very low | 32.7 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 77.1 | 108.2 | 161.4 | -160.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 72 | A | 28.8 | Very low | 32.8 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | trans | -81.3 | 150.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 73 | M | 32.3 | Very low | 32.9 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 84% | 0.837 | 81% | 0.814 | S | S | * | * | trans | -164.1 | 111.1 | 131.9 | -151.3 | 163.6 | 140.5 | 0 | 0 | 111.2 | V75 | M73-V75 HydrophobicContact CE-CG2 3.38Å; M73-V75 HydrophobicContact CG-CG2 4.06Å | ||
| 74 | R | 26.9 | Very low | 33.2 | Very low | 249 Ų | 249 | 134.9 Ų | 134.9 | 94% | 0.94 | 82% | 0.817 | S | S | * | * | trans | -117 | 109.7 | 168.5 | -159.6 | 178.9 | -167.9 | 177.7 | 5.8 | 107.2 | ||||
| 75 | V | 32.5 | Very low | 33.3 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 63% | 0.63 | 81% | 0.814 | S | S | * | * | trans | -94.6 | 132.2 | 179.8 | -179.2 | 0 | 0 | 0 | 0 | 110 | M73 | M73-V75 HydrophobicContact CE-CG2 3.38Å; M73-V75 HydrophobicContact CG-CG2 4.06Å | ||
| 76 | R | 30.5 | Very low | 33.8 | Very low | 230 Ų | 230 | 132.9 Ų | 132.9 | 87% | 0.868 | 81% | 0.808 | S | S | * | * | trans | -118.4 | 145.5 | 162.2 | -77.5 | -179.4 | 160 | -169.6 | -4.6 | 108 | ||||
| 77 | P | 35.8 | Very low | 34.2 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -115.3 | 117 | 148.2 | 13.9 | 6.1 | 0 | 0 | 0 | 109.1 | ||||
| 78 | V | 35.6 | Very low | 34.6 | Very low | 139 Ų | 139 | 145.3 Ų | 145.3 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | 73.2 | 121.5 | 85.3 | -177.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 79 | S | 32.3 | Very low | 35.1 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -65.5 | 145.5 | 178.3 | 47.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 80 | G | 35.2 | Very low | 35.5 | Very low | 80 Ų | 80 | 141.7 Ų | 141.7 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -136.4 | 114.3 | 160 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 81 | T | 33.3 | Very low | 35.9 | Very low | 132 Ų | 132 | 143 Ų | 143 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -78.3 | 143.9 | 172.6 | 42.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 82 | S | 41.4 | Very low | 36.1 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | -172 | 134.6 | 132.1 | -76.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 83 | A | 38.3 | Very low | 37 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -78 | 154.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 84 | D | 38.3 | Very low | 37.4 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | -169.5 | 157.8 | 104.1 | -136.8 | -29.1 | 0 | 0 | 0 | 112 | |||||
| 85 | T | 38.3 | Very low | 37.9 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 73% | 0.73 | 81% | 0.811 | S | S | * | * | trans | -53 | 161.9 | -179.6 | 58.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 86 | S | 42.3 | Very low | 38.4 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | cis | -175.6 | 165.2 | 46.2 | 45.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 87 | R | 38 | Very low | 38.8 | Very low | 240 Ų | 240 | 136.8 Ų | 136.8 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -36.5 | 150.5 | 174.2 | -72.1 | 165.1 | 159.9 | 173.9 | -6.9 | 117.4 | ||||
| 88 | E | 38.9 | Very low | 39 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | -176.6 | 167 | 99.5 | -157.7 | 154.6 | 165.4 | 0 | 0 | 112.2 | |||||
| 89 | S | 41.6 | Very low | 38.9 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | -95 | 160.1 | -146.8 | -57.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 90 | A | 38.4 | Very low | 39.1 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | 64.8 | 118.2 | 138.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 91 | K | 41.2 | Very low | 39.3 | Very low | 210 Ų | 210 | 137.3 Ų | 137.3 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | -169.5 | 131.9 | 109.8 | -101.5 | 167 | -176.7 | -178.3 | 0 | 111.4 | |||||
| 92 | V | 38.5 | Very low | 40 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 92% | 0.915 | 81% | 0.807 | S | S | * | * | trans | -71.2 | 129.8 | 170.7 | 173.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 93 | A | 47.3 | Very low | 40.5 | Very low | 85 Ų | 85 | 133.2 Ų | 133.2 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | trans | -126.1 | 144.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 94 | P | 40.7 | Very low | 42 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -79.6 | 152.7 | -176.1 | 28.3 | -21.7 | 0 | 0 | 0 | 112 | ||||
| 95 | E | 38.5 | Very low | 43.9 | Very low | 184 Ų | 184 | 127.8 Ų | 127.8 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -39.7 | 128.9 | -175.8 | -59.8 | -90.5 | 133 | 0 | 0 | 114.9 | ||||
| 96 | P | 41.6 | Very low | 46.2 | Very low | 105 Ų | 105 | 125.6 Ų | 125.6 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | trans | -81 | 128.6 | 161.9 | 31.4 | -26.4 | 0 | 0 | 0 | 109.4 | E98 | P96-E98 PolarHBondContact O-N 2.88Š| ||
| 97 | H | 39.1 | Very low | 48.3 | Very low | 196 Ų | 196 | 124.4 Ų | 124.4 | 91% | 0.907 | 74% | 0.737 | S | S | * | * | trans | -55.1 | 108.4 | 161.5 | -80.4 | -95.7 | 0 | 0 | 0 | 108.7 | G99 | H97-G99 PolarHBondContact O-N 2.85Š| ||
| 98 | E | 39.6 | Very low | 50.7 | Low | 189 Ų | 189 | 118.6 Ų | 118.6 | 88% | 0.883 | 72% | 0.719 | S | S | * | * | trans | -68.5 | 97.5 | 174.4 | -74.7 | -172.7 | 157.2 | 0 | 0 | 109.1 | P96 | P96-E98 PolarHBondContact O-N 2.88Š| ||
| 99 | G | 34.4 | Very low | 53.2 | Low | 61 Ų | 61 | 109.9 Ų | 109.9 | 63% | 0.629 | 68% | 0.679 | S | S | * | * | trans | -58 | 148.3 | 155.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | H97 S101 | H97-G99 PolarHBondContact O-N 2.85Å; G99-S101 PolarHBondContact O-N 2.89Å | ||
| 100 | A | 36 | Very low | 55.7 | Low | 114 Ų | 114 | 107.5 Ų | 107.5 | 94% | 0.942 | 66% | 0.66 | S | S | * | * | trans | -56.6 | 79 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 101 | S | 39.1 | Very low | 58.4 | Low | 99 Ų | 99 | 104.6 Ų | 104.6 | 69% | 0.692 | 63% | 0.633 | S | S | * | * | trans | -70.9 | 133.4 | 160.2 | -178.9 | 0 | 0 | 0 | 0 | 106.9 | G99 V103 | G99-S101 PolarHBondContact O-N 2.89Å; S101-V103 VanDerWaalsContact C-N 3.32Å; S101-V103 PolarHBondContact O-N 3.04Å | ||
| 102 | A | 48.7 | Very low | 61.1 | Low | 87 Ų | 87 | 97.9 Ų | 97.9 | 72% | 0.719 | 61% | 0.605 | S | S | * | * | trans | -57 | 95.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | A104 | A102-A104 PolarHBondContact O-N 3.01Š| ||
| 103 | V | 52.6 | Low | 63.9 | Low | 82 Ų | 82 | 90.8 Ų | 90.8 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 117.9 | 179.5 | -176 | 0 | 0 | 0 | 0 | 106.7 | S101 G105 W106 | S101-V103 VanDerWaalsContact C-N 3.32Å; S101-V103 PolarHBondContact O-N 3.04Å; V103-G105 PolarHBondContact O-N 2.98Å; V103-W106 HydrophobicContact CG1-CZ2 4.47Å |
| 104 | A | 69.5 | Low | 66.3 | Low | 86 Ų | 86 | 88.8 Ų | 88.8 | 71% | 0.711 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -50.2 | 134.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | A102 | A102-A104 PolarHBondContact O-N 3.01Š|
| 105 | G | 78.3 | Confident | 69 | Low | 42 Ų | 42 | 84.2 Ų | 84.2 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 145 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V103 | V103-G105 PolarHBondContact O-N 2.98Š|
| 106 | W | 86.1 | Confident | 71.8 | Confident | 73 Ų | 73 | 77.6 Ų | 77.6 | 28% | 0.277 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 150.2 | 172.6 | -62.1 | 95.8 | 0 | 0 | 0 | 110.7 | V103 P237 R321 H323 | V103-W106 HydrophobicContact CG1-CZ2 4.47Å; W106-P237 WeakPolarHBondContact CA-O 3.37Å; W106-P237 VanDerWaalsContact CB-O 3.27Å; W106-P237 WeakPolarHBondContact CB-O 3.36Å; W106-P237 VanDerWaalsContact CD1-O 3.24Å; W106-P237 PolarHBondContact N-O 3.07Å; W106-P237 WeakPolarHBondContact O-CA 3.33Å; W106-R321 VanDerWaalsContact CB-CZ 3.43Å; W106-R321 HydrophobicContact CG-CB 3.96Å; W106-R321 VanDerWaalsContact NE1-C 3.29Å; W106-R321 PolarHBondContact NE1-O 2.78Å; W106-H323 VanDerWaalsContact CH2-CA 3.47Å; W106-H323 HydrophobicContact CH2-CB 3.39Å; W106-H323 HydrophobicContact CZ2-CB 4.31Å; W106-H323 HydrophobicContact CZ3-CB 3.59Å |
| 107 | P | 85.8 | Confident | 74.5 | Confident | 89 Ų | 89 | 74.8 Ų | 74.8 | 58% | 0.578 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 158.2 | 176.3 | 27.7 | -35.6 | 0 | 0 | 0 | 111.3 | R321 | P107-R321 PolarHBondContact O-NH1 3.47Å; P107-R321 PolarHBondContact O-NH2 2.9Å |
| 108 | K | 89.7 | Confident | 77.3 | Confident | 119 Ų | 119 | 69 Ų | 69 | 52% | 0.517 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 157.5 | 169 | 66.7 | 174.2 | 173.8 | -171.5 | 0 | 111.8 | V110 E152 | K108-V110 PolarHBondContact O-N 2.86Å; K108-E152 IonicContact NZ-OE2 2.7Å; K108-E152 PolarHBondContact NZ-OE2 3.36Å |
| 109 | P | 91.3 | Very high | 80 | Confident | 10 Ų | 10 | 61 Ų | 61 | 7% | 0.065 | 41% | 0.413 | C | S | . | . | trans | -45.9 | 140.9 | 170.3 | -30.8 | 39 | 0 | 0 | 0 | 112.7 | E154 V235 V394 E395 L396 | P109-E154 WeakPolarHBondContact CB-OE2 3.27Å; P109-E154 WeakPolarHBondContact CD-OE2 3.44Å; P109-E154 WeakPolarHBondContact CG-OE2 3.44Å; P109-V235 HydrophobicContact CG-CB 4.22Å; P109-V235 HydrophobicContact CG-CG1 3.79Å; P109-V394 HydrophobicContact CB-CG1 3.72Å; P109-V394 HydrophobicContact CG-CG1 3.79Å; P109-E395 CarbonylContact C-O 3.54Å; P109-E395 WeakPolarHBondContact CA-O 3.27Å; P109-L396 HydrophobicContact CB-CD2 4.5Å; P109-L396 HydrophobicContact CG-CD2 4.06Å | ||
| 110 | V | 92.2 | Very high | 82.9 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 34% | 0.339 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -72.5 | -42.5 | -179.2 | 173 | 0 | 0 | 0 | 0 | 111 | K108 E395 R398 | K108-V110 PolarHBondContact O-N 2.86Å; V110-E395 HydrophobicContact CB-CB 4.34Å; V110-E395 HydrophobicContact CB-CG 4.05Å; V110-E395 WeakPolarHBondContact CB-O 3.44Å; V110-E395 HydrophobicContact CG1-CG 4.37Å; V110-E395 WeakPolarHBondContact CG1-OE2 3.26Å; V110-E395 PolarHBondContact N-O 3.43Å; V110-R398 HydrophobicContact CG1-CG 3.7Å; V110-R398 HydrophobicContact CG2-CG 4.34Å |
| 111 | S | 95.6 | Very high | 85.7 | Confident | 29 Ų | 29 | 64.8 Ų | 64.8 | 20% | 0.203 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 165.6 | 176.5 | 73.5 | 0 | 0 | 0 | 0 | 109.7 | A369 E395 | S111-A369 WeakPolarHBondContact OG-CB 3.44Å; S111-E395 WeakPolarHBondContact O-CB 3.32Å; S111-E395 PolarHBondContact O-N 2.86Å; S111-E395 PolarHBondContact OG-OE2 3.03Å |
| 112 | H | 97.5 | Very high | 88.5 | Confident | 70 Ų | 70 | 71.8 Ų | 71.8 | 32% | 0.324 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 164 | 168.7 | 62.4 | -97.5 | 0 | 0 | 0 | 109.5 | F156 V393 | H112-F156 HydrophobicContact CB-CD1 4.35Å; H112-F156 HydrophobicContact CB-CE1 3.49Å; H112-F156 VanDerWaalsContact CB-CE1 3.49Å; H112-F156 HydrophobicContact CB-CZ 4.06Å; H112-F156 AromaticContact CG-CE1 3.61Å; H112-F156 AromaticContact ND1-CE1 3.91Å; H112-V393 CarbonylContact C-O 3.59Å; H112-V393 WeakPolarHBondContact CA-O 3.14Å |
| 113 | G | 97.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 73.7 Ų | 73.7 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 136.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | S370 V392 V393 | G113-S370 WeakPolarHBondContact CA-OG 3.38Å; G113-V392 CarbonylContact O-C 3.51Å; G113-V392 WeakPolarHBondContact O-CA 3.49Å; G113-V393 PolarHBondContact N-O 3.42Å; G113-V393 PolarHBondContact O-N 2.87Å |
| 114 | A | 98.1 | Very high | 93 | Very high | 42 Ų | 42 | 72.8 Ų | 72.8 | 35% | 0.347 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | V128 V130 V391 V392 | A114-V128 HydrophobicContact CB-CG2 4.27Å; A114-V130 HydrophobicContact CB-CG2 4.46Å; A114-V391 CarbonylContact C-O 3.49Å; A114-V391 WeakPolarHBondContact CA-O 3.46Å; A114-V392 HydrophobicContact CB-CG2 3.94Å |
| 115 | V | 98 | Very high | 94.3 | Very high | 34 Ų | 34 | 69.2 Ų | 69.2 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 130.2 | 172.9 | 179.5 | 0 | 0 | 0 | 0 | 107.5 | V117 A373 A374 V377 S390 V391 | V115-V117 HydrophobicContact CG1-CG1 4.08Å; V115-A373 HydrophobicContact CB-CB 4.25Å; V115-A373 HydrophobicContact CG2-CB 3.78Å; V115-A374 HydrophobicContact CG2-CB 4.14Å; V115-V377 HydrophobicContact CB-CG2 4.02Å; V115-V377 HydrophobicContact CG1-CB 4.24Å; V115-V377 HydrophobicContact CG1-CG1 4.36Å; V115-V377 HydrophobicContact CG1-CG2 3.78Å; V115-S390 CarbonylContact O-C 3.46Å; V115-S390 WeakPolarHBondContact O-CA 3.14Å; V115-V391 PolarHBondContact N-O 2.9Å; V115-V391 PolarHBondContact O-N 2.88Å |
| 116 | S | 98.2 | Very high | 95.3 | Very high | 44 Ų | 44 | 67.6 Ų | 67.6 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 119.9 | -178.5 | -175 | 0 | 0 | 0 | 0 | 107.9 | M124 I389 S390 | S116-M124 WeakPolarHBondContact OG-CE 3.5Å; S116-I389 WeakPolarHBondContact CA-O 3.34Å; S116-S390 WeakPolarHBondContact CB-OG 3.38Å; S116-S390 PolarHBondContact OG-OG 2.92Å |
| 117 | V | 98.1 | Very high | 95.9 | Very high | 46 Ų | 46 | 64.2 Ų | 64.2 | 28% | 0.279 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 147.1 | -174.1 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | V115 G119 M124 V377 N388 I389 | V115-V117 HydrophobicContact CG1-CG1 4.08Å; V117-G119 PolarHBondContact O-N 3.35Å; V117-G119 VanDerWaalsContact O-N 3.15Å; V117-M124 VanDerWaalsContact C-SD 3.56Å; V117-V377 HydrophobicContact CG1-CG1 4.27Å; V117-V377 HydrophobicContact CG2-CG1 3.41Å; V117-V377 VanDerWaalsContact CG2-CG1 3.41Å; V117-N388 WeakPolarHBondContact O-CA 3.1Å; V117-I389 HydrophobicContact CG2-CB 4.04Å; V117-I389 PolarHBondContact N-O 3.41Å; V117-I389 PolarHBondContact O-N 2.86Å |
| 118 | I | 97.9 | Very high | 96.5 | Very high | 74 Ų | 74 | 61.6 Ų | 61.6 | 38% | 0.379 | 30% | 0.301 | S | S | . | . | trans | -64.3 | -18.5 | 177.2 | -163.2 | 170.1 | 0 | 0 | 0 | 113.6 | R120 R121 E123 M124 N388 | I118-R120 PolarHBondContact O-N 3Å; I118-R121 HydrophobicContact CG1-CB 4.29Å; I118-R121 WeakPolarHBondContact O-CB 3.17Å; I118-R121 PolarHBondContact O-N 2.85Å; I118-R121 VanDerWaalsContact O-N 3.16Å; I118-E123 WeakPolarHBondContact CG1-O 3.12Å; I118-M124 VanDerWaalsContact CA-SD 3.5Å; I118-M124 HydrophobicContact CB-CB 4.38Å; I118-M124 HydrophobicContact CB-SD 4.08Å; I118-M124 HydrophobicContact CD1-CB 4.28Å; I118-M124 HydrophobicContact CG1-CB 4.14Å; I118-M124 PolarHBondContact N-SD 3.19Å; I118-N388 WeakPolarHBondContact CA-ND2 3.07Å; I118-N388 PolarHBondContact O-ND2 2.77Å | ||
| 119 | G | 95.7 | Very high | 96.9 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | -120.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V117 D387 | V117-G119 PolarHBondContact O-N 3.35Å; V117-G119 VanDerWaalsContact O-N 3.15Å; G119-D387 WeakPolarHBondContact CA-O 3.25Å |
| 120 | R | 94.9 | Very high | 97.2 | Very high | 143 Ų | 143 | 58.4 Ų | 58.4 | 54% | 0.54 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 6.6 | 179 | -56.4 | -178.2 | -174.1 | 163.9 | 5.4 | 113.3 | I118 M381 | I118-R120 PolarHBondContact O-N 3Å; R120-M381 PolarHBondContact NH2-O 3.29Å; R120-M381 VanDerWaalsContact NH2-O 3.12Å |
| 121 | R | 96.3 | Very high | 97.4 | Very high | 112 Ų | 112 | 56.6 Ų | 56.6 | 42% | 0.423 | 28% | 0.283 | S | S | . | . | trans | -74.3 | 165.1 | 176.7 | -62 | -80.7 | -76.3 | 171.7 | -0.4 | 110.8 | I118 E123 E125 D387 N388 | I118-R121 HydrophobicContact CG1-CB 4.29Å; I118-R121 WeakPolarHBondContact O-CB 3.17Å; I118-R121 PolarHBondContact O-N 2.85Å; I118-R121 VanDerWaalsContact O-N 3.16Å; R121-E123 WeakPolarHBondContact CB-O 3.37Å; R121-E125 IonicContact CZ-OE2 3.5Å; R121-E125 IonicContact NH2-OE2 2.95Å; R121-E125 PolarHBondContact NH2-OE2 2.79Å; R121-D387 VanDerWaalsContact CD-OD1 3.27Å; R121-D387 WeakPolarHBondContact CD-OD1 3.31Å; R121-D387 WeakPolarHBondContact CG-OD1 3.3Å; R121-D387 IonicContact NE-OD1 3.68Å; R121-D387 PolarHBondContact NE-OD1 3.11Å; R121-N388 WeakPolarHBondContact CB-ND2 3.34Å; R121-N388 WeakPolarHBondContact CG-ND2 3.27Å | ||
| 122 | R | 96.6 | Very high | 97.2 | Very high | 246 Ų | 246 | 58.1 Ų | 58.1 | 93% | 0.928 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -86.1 | -25.6 | 173 | -65.1 | -175.6 | 178.8 | -155 | 0.1 | 112.5 | ||
| 123 | E | 97.1 | Very high | 96.8 | Very high | 127 Ų | 127 | 58.6 Ų | 58.6 | 59% | 0.593 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -129.2 | 151.5 | -175.4 | -64.6 | 179.5 | -173.8 | 0 | 0 | 109.1 | I118 R121 N388 | I118-E123 WeakPolarHBondContact CG1-O 3.12Å; R121-E123 WeakPolarHBondContact CB-O 3.37Å; E123-N388 PolarHBondContact O-ND2 2.94Å; E123-N388 PolarHBondContact O-OD1 3.27Å |
| 124 | M | 98.3 | Very high | 96.4 | Very high | 64 Ų | 64 | 59.7 Ų | 59.7 | 32% | 0.315 | 30% | 0.304 | S | S | . | . | trans | -106.1 | 105.2 | 176.3 | -176.7 | 66.7 | -177.6 | 0 | 0 | 107.7 | S116 V117 I118 D126 N388 | S116-M124 WeakPolarHBondContact OG-CE 3.5Å; V117-M124 VanDerWaalsContact C-SD 3.56Å; I118-M124 VanDerWaalsContact CA-SD 3.5Å; I118-M124 HydrophobicContact CB-CB 4.38Å; I118-M124 HydrophobicContact CB-SD 4.08Å; I118-M124 HydrophobicContact CD1-CB 4.28Å; I118-M124 HydrophobicContact CG1-CB 4.14Å; I118-M124 PolarHBondContact N-SD 3.19Å; M124-D126 HydrophobicContact CE-CB 3.31Å; M124-D126 HydrophobicContact SD-CB 4.11Å; M124-N388 WeakPolarHBondContact CA-OD1 3.44Å; M124-N388 HydrophobicContact SD-CB 4.06Å | ||
| 125 | E | 98.4 | Very high | 95.9 | Very high | 11 Ų | 11 | 59.1 Ų | 59.1 | 5% | 0.051 | 30% | 0.295 | C | S | . | . | trans | -105.2 | -19.1 | -179.1 | -59 | 173.4 | 109 | 0 | 0 | 111.5 | R121 G161 G163 G164 A168 N388 | R121-E125 IonicContact CZ-OE2 3.5Å; R121-E125 IonicContact NH2-OE2 2.95Å; R121-E125 PolarHBondContact NH2-OE2 2.79Å; E125-G161 WeakPolarHBondContact CB-O 3.36Å; E125-G161 WeakPolarHBondContact O-CA 3.45Å; E125-G161 PolarHBondContact O-N 2.96Å; E125-G163 PolarHBondContact OE1-N 3.07Å; E125-G164 WeakPolarHBondContact OE1-CA 3.33Å; E125-G164 PolarHBondContact OE1-N 3.26Å; E125-A168 WeakPolarHBondContact O-CB 3.24Å; E125-N388 PolarHBondContact N-OD1 3.24Å | ||
| 126 | D | 98.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.043 | 31% | 0.306 | C | S | . | . | trans | -64.5 | 145.2 | 171.8 | -98.4 | 16.9 | 0 | 0 | 0 | 113.4 | M124 Y159 D160 S332 N388 I389 S390 | M124-D126 HydrophobicContact CE-CB 3.31Å; M124-D126 HydrophobicContact SD-CB 4.11Å; D126-Y159 CarbonylContact C-O 3.56Å; D126-Y159 WeakPolarHBondContact CA-O 3.39Å; D126-D160 WeakPolarHBondContact OD1-CA 3.22Å; D126-S332 PolarHBondContact OD2-OG 3.26Å; D126-N388 HydrophobicContact CB-CB 3.8Å; D126-N388 VanDerWaalsContact CG-CB 3.49Å; D126-N388 PolarHBondContact N-OD1 3.13Å; D126-I389 PolarHBondContact OD2-N 2.89Å; D126-S390 VanDerWaalsContact CB-OG 3.27Å; D126-S390 WeakPolarHBondContact CB-OG 3.31Å; D126-S390 VanDerWaalsContact CG-OG 3.24Å; D126-S390 WeakPolarHBondContact OD2-CB 3.46Å; D126-S390 PolarHBondContact OD2-N 3.03Å; D126-S390 VanDerWaalsContact OD2-N 3.08Å; D126-S390 PolarHBondContact OD2-OG 3.44Å | ||
| 127 | A | 98.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.017 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 157.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y159 A168 R172 | A127-Y159 HydrophobicContact CB-CD2 4.17Å; A127-Y159 PolarHBondContact N-O 3.44Å; A127-Y159 PolarHBondContact O-N 3.37Å; A127-A168 HydrophobicContact CB-CB 4.02Å; A127-R172 HydrophobicContact CB-CB 4.14Å |
| 128 | V | 98.7 | Very high | 90.9 | Very high | 34 Ų | 34 | 61.2 Ų | 61.2 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 147.6 | 175.4 | -60.9 | 0 | 0 | 0 | 0 | 110.3 | A114 A157 V158 R172 V392 | A114-V128 HydrophobicContact CB-CG2 4.27Å; V128-A157 WeakPolarHBondContact CA-O 3.26Å; V128-V158 HydrophobicContact CG1-CG2 4.2Å; V128-R172 WeakPolarHBondContact O-CD 3.22Å; V128-R172 WeakPolarHBondContact O-CG 3.47Å; V128-V392 HydrophobicContact CB-CG2 4.35Å; V128-V392 HydrophobicContact CG1-CG2 4.25Å |
| 129 | A | 98.4 | Very high | 88.5 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 7% | 0.066 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 140.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F155 F156 A157 Y159 R172 | A129-F155 HydrophobicContact CB-CE1 4.04Å; A129-F156 CarbonylContact O-C 3.56Å; A129-F156 WeakPolarHBondContact O-CA 3.39Å; A129-A157 PolarHBondContact N-O 3.37Å; A129-A157 PolarHBondContact O-N 3.15Å; A129-Y159 HydrophobicContact CB-CE2 3.74Å; A129-R172 HydrophobicContact CB-CG 4.18Å |
| 130 | V | 97.8 | Very high | 86.1 | Confident | 53 Ų | 53 | 62.9 Ų | 62.9 | 32% | 0.321 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 123.7 | 173.3 | 179.9 | 0 | 0 | 0 | 0 | 108 | A114 V132 F155 F156 | A114-V130 HydrophobicContact CB-CG2 4.46Å; V130-V132 HydrophobicContact CG1-CG2 3.84Å; V130-F155 WeakPolarHBondContact CA-O 3.48Å; V130-F156 HydrophobicContact CB-CD1 4.4Å; V130-F156 HydrophobicContact CG1-CD1 3.82Å; V130-F156 HydrophobicContact CG1-CE1 3.64Å; V130-F156 HydrophobicContact CG2-CD1 3.98Å |
| 131 | A | 95.9 | Very high | 83.4 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 111 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | F134 F155 | A131-F134 HydrophobicContact CB-CB 4.3Å; A131-F134 HydrophobicContact CB-CD2 4.39Å; A131-F134 WeakPolarHBondContact O-CB 3.46Å; A131-F134 PolarHBondContact O-N 3.14Å; A131-F155 HydrophobicContact CB-CB 4.14Å; A131-F155 PolarHBondContact N-O 3.16Å; A131-F155 PolarHBondContact O-N 3.48Å |
| 132 | V | 91.7 | Very high | 80.6 | Confident | 62 Ų | 62 | 68.9 Ų | 68.9 | 38% | 0.376 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 114.1 | -177.6 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | V130 E154 F156 | V130-V132 HydrophobicContact CG1-CG2 3.84Å; V132-E154 HydrophobicContact CB-CG 4.36Å; V132-E154 HydrophobicContact CG1-CG 3.91Å; V132-E154 WeakPolarHBondContact CG1-OE1 3.34Å; V132-E154 HydrophobicContact CG2-CB 3.91Å; V132-E154 HydrophobicContact CG2-CG 3.84Å; V132-F156 HydrophobicContact CG2-CE1 4.23Å; V132-F156 HydrophobicContact CG2-CZ 4.07Å |
| 133 | P | 88.2 | Confident | 78 | Confident | 79 Ų | 79 | 60.5 Ų | 60.5 | 51% | 0.513 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -66 | 151.6 | -9.7 | 31.3 | -35 | 0 | 0 | 0 | 111.3 | V136 | P133-V136 HydrophobicContact CB-CG2 3.98Å; P133-V136 HydrophobicContact CG-CG2 4.24Å |
| 134 | F | 89.6 | Confident | 75.3 | Confident | 25 Ų | 25 | 63 Ų | 63 | 11% | 0.11 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -55.7 | 172.6 | 166.3 | -125.1 | 0 | 0 | 0 | 111.1 | A131 M153 F155 H176 L179 A180 V234 | A131-F134 HydrophobicContact CB-CB 4.3Å; A131-F134 HydrophobicContact CB-CD2 4.39Å; A131-F134 WeakPolarHBondContact O-CB 3.46Å; A131-F134 PolarHBondContact O-N 3.14Å; F134-M153 WeakPolarHBondContact CB-O 3.19Å; F134-M153 PolarHBondContact N-O 3.05Å; F134-F155 HydrophobicContact CB-CB 3.66Å; F134-F155 HydrophobicContact CD1-CB 3.93Å; F134-F155 HydrophobicContact CD2-CB 3.92Å; F134-F155 HydrophobicContact CD2-CG 4.49Å; F134-F155 HydrophobicContact CE1-CD2 4.47Å; F134-F155 HydrophobicContact CE2-CD2 4.46Å; F134-F155 HydrophobicContact CG-CB 3.55Å; F134-F155 HydrophobicContact CG-CG 4.48Å; F134-F155 HydrophobicContact CZ-CD2 4.43Å; F134-H176 HydrophobicContact CD2-CB 4.47Å; F134-H176 HydrophobicContact CE2-CB 4.23Å; F134-H176 WeakPolarHBondContact CE2-O 3.04Å; F134-L179 HydrophobicContact CE1-CD2 3.92Å; F134-L179 HydrophobicContact CE1-CG 4.22Å; F134-L179 HydrophobicContact CZ-CB 3.96Å; F134-L179 HydrophobicContact CZ-CD2 3.75Å; F134-L179 HydrophobicContact CZ-CG 3.74Å; F134-A180 HydrophobicContact CE2-CB 3.79Å; F134-A180 HydrophobicContact CZ-CB 4.07Å; F134-V234 HydrophobicContact CD1-CG1 4.26Å; F134-V234 HydrophobicContact CD1-CG2 4.36Å; F134-V234 HydrophobicContact CE1-CG1 4.43Å; F134-V234 HydrophobicContact CE1-CG2 4.12Å |
| 135 | L | 86.3 | Confident | 72.3 | Confident | 31 Ų | 31 | 63.8 Ų | 63.8 | 16% | 0.162 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136.4 | 174 | -69.8 | 168.9 | 0 | 0 | 0 | 108.8 | E152 M153 A180 V183 | L135-E152 WeakPolarHBondContact O-CA 3.19Å; L135-M153 HydrophobicContact CB-CB 4.27Å; L135-M153 HydrophobicContact CD1-SD 4.29Å; L135-M153 PolarHBondContact N-O 3Å; L135-M153 PolarHBondContact O-N 2.86Å; L135-A180 HydrophobicContact CD2-CB 3.96Å; L135-V183 HydrophobicContact CD1-CB 4.06Å; L135-V183 HydrophobicContact CD1-CG1 3.61Å; L135-V183 HydrophobicContact CD1-CG2 3.96Å; L135-V183 HydrophobicContact CD2-CG1 4.4Å |
| 136 | V | 75.6 | Confident | 69.4 | Low | 70 Ų | 70 | 66.1 Ų | 66.1 | 42% | 0.424 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 107.7 | 168.7 | -175.2 | 0 | 0 | 0 | 0 | 106 | P133 A138 E150 | P133-V136 HydrophobicContact CB-CG2 3.98Å; P133-V136 HydrophobicContact CG-CG2 4.24Å; V136-A138 PolarHBondContact O-N 3.37Å; V136-E150 HydrophobicContact CG1-CB 3.97Å; V136-E150 HydrophobicContact CG1-CG 4.24Å |
| 137 | A | 61.8 | Low | 66.3 | Low | 17 Ų | 17 | 69.8 Ų | 69.8 | 14% | 0.14 | 48% | 0.484 | C | S | . | . | trans | -67.6 | 114.1 | 171 | 0 | 0 | 0 | 0 | 0 | 108.1 | A139 A151 V189 | A137-A139 PolarHBondContact O-N 3.4Å; A137-A151 HydrophobicContact CB-CB 3.99Å; A137-A151 PolarHBondContact N-O 2.65Å; A137-V189 HydrophobicContact CB-CG1 3.49Å; A137-V189 VanDerWaalsContact CB-CG1 3.49Å | ||
| 138 | A | 52.2 | Low | 63.9 | Low | 80 Ų | 80 | 77 Ų | 77 | 66% | 0.661 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 124.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | V136 G140 | V136-A138 PolarHBondContact O-N 3.37Å; A138-G140 PolarHBondContact O-N 3.04Å; A138-G140 VanDerWaalsContact O-N 3.11Å |
| 139 | A | 47.6 | Very low | 61.6 | Low | 56 Ų | 56 | 84.8 Ų | 84.8 | 46% | 0.463 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -54 | 121.6 | 171 | 0 | 0 | 0 | 0 | 0 | 107.2 | A137 E141 | A137-A139 PolarHBondContact O-N 3.4Å; A139-E141 PolarHBondContact O-N 3.44Å; A139-E141 VanDerWaalsContact O-N 3.09Å |
| 140 | G | 45.2 | Very low | 59.6 | Low | 74 Ų | 74 | 89.7 Ų | 89.7 | 76% | 0.763 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 122.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | A138 E142 | A138-G140 PolarHBondContact O-N 3.04Å; A138-G140 VanDerWaalsContact O-N 3.11Å; G140-E142 PolarHBondContact O-N 3.4Å |
| 141 | E | 37.7 | Very low | 58.1 | Low | 186 Ų | 186 | 88.7 Ų | 88.7 | 87% | 0.869 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -60 | 135.1 | 166.8 | -66 | -176 | 153.3 | 0 | 0 | 107.9 | A139 | A139-E141 PolarHBondContact O-N 3.44Å; A139-E141 VanDerWaalsContact O-N 3.09Å |
| 142 | E | 38.2 | Very low | 57.5 | Low | 195 Ų | 195 | 91.2 Ų | 91.2 | 91% | 0.911 | 58% | 0.575 | S | S | * | * | trans | 86.2 | 97.8 | 166.3 | -52.6 | -173.7 | 160.7 | 0 | 0 | 118.1 | G140 | G140-E142 PolarHBondContact O-N 3.4Š| ||
| 143 | G | 42.2 | Very low | 57.5 | Low | 71 Ų | 71 | 90 Ų | 90 | 73% | 0.732 | 57% | 0.566 | S | S | * | * | trans | 172.9 | 89.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G145 | G143-G145 PolarHBondContact O-N 3.08Š| ||
| 144 | D | 40.2 | Very low | 57.9 | Low | 180 Ų | 180 | 86.6 Ų | 86.6 | 96% | 0.963 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -41.8 | 124 | 179.3 | -170.9 | 20.7 | 0 | 0 | 0 | 113.1 | ||
| 145 | G | 35.4 | Very low | 58.2 | Low | 79 Ų | 79 | 85.4 Ų | 85.4 | 81% | 0.814 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 111.3 | 39.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | G143 | G143-G145 PolarHBondContact O-N 3.08Š|
| 146 | G | 37 | Very low | 58.8 | Low | 61 Ų | 61 | 84 Ų | 84 | 63% | 0.629 | 53% | 0.531 | S | S | * | . | trans | 150.3 | 93.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 113 | E148 | G146-E148 PolarHBondContact O-N 2.6Š| ||
| 147 | G | 35.1 | Very low | 59.9 | Low | 84 Ų | 84 | 80.6 Ų | 80.6 | 87% | 0.866 | 51% | 0.51 | S | S | * | . | trans | -58.6 | 100.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K149 | G147-K149 PolarHBondContact O-N 2.94Š| ||
| 148 | E | 46.9 | Very low | 61.7 | Low | 155 Ų | 155 | 79.8 Ų | 79.8 | 72% | 0.724 | 50% | 0.504 | S | S | * | . | trans | -64.9 | 113.1 | 165.9 | -67.9 | -166.5 | 150.6 | 0 | 0 | 107.1 | G146 | G146-E148 PolarHBondContact O-N 2.6Š| ||
| 149 | K | 51.2 | Low | 63.9 | Low | 197 Ų | 197 | 76 Ų | 76 | 86% | 0.857 | 47% | 0.472 | S | S | * | . | trans | -54.7 | 141 | 177.1 | -73.6 | -177.9 | 175.1 | -178.7 | 0 | 109.7 | G147 A151 | G147-K149 PolarHBondContact O-N 2.94Å; K149-A151 PolarHBondContact O-N 3.2Å; K149-A151 VanDerWaalsContact O-N 3.1Å | ||
| 150 | E | 55.2 | Low | 66.4 | Low | 111 Ų | 111 | 74 Ų | 74 | 52% | 0.519 | 45% | 0.453 | S | S | . | . | trans | -40.2 | 118 | 171.5 | -68.2 | 177.9 | 164.9 | 0 | 0 | 110.1 | V136 E152 | V136-E150 HydrophobicContact CG1-CB 3.97Å; V136-E150 HydrophobicContact CG1-CG 4.24Å; E150-E152 VanDerWaalsContact C-N 3.34Å; E150-E152 PolarHBondContact O-N 3.5Å | ||
| 151 | A | 67.4 | Low | 68.9 | Low | 31 Ų | 31 | 70.6 Ų | 70.6 | 26% | 0.256 | 42% | 0.419 | S | S | . | . | trans | -77.3 | 91.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108 | A137 K149 P237 | A137-A151 HydrophobicContact CB-CB 3.99Å; A137-A151 PolarHBondContact N-O 2.65Å; K149-A151 PolarHBondContact O-N 3.2Å; K149-A151 VanDerWaalsContact O-N 3.1Å; A151-P237 HydrophobicContact CB-CG 3.91Å | ||
| 152 | E | 83.7 | Confident | 71.7 | Confident | 71 Ų | 71 | 63.4 Ų | 63.4 | 33% | 0.332 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 131.3 | 169.6 | -67.6 | 178.2 | -175.5 | 0 | 0 | 109.6 | K108 L135 E150 | K108-E152 IonicContact NZ-OE2 2.7Å; K108-E152 PolarHBondContact NZ-OE2 3.36Å; L135-E152 WeakPolarHBondContact O-CA 3.19Å; E150-E152 VanDerWaalsContact C-N 3.34Å; E150-E152 PolarHBondContact O-N 3.5Å |
| 153 | M | 91.2 | Very high | 74.4 | Confident | 36 Ų | 36 | 56.8 Ų | 56.8 | 18% | 0.177 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 150 | 167.6 | -54.8 | -174.2 | -171.7 | 0 | 0 | 109.7 | F134 L135 W197 V234 V235 | F134-M153 WeakPolarHBondContact CB-O 3.19Å; F134-M153 PolarHBondContact N-O 3.05Å; L135-M153 HydrophobicContact CB-CB 4.27Å; L135-M153 HydrophobicContact CD1-SD 4.29Å; L135-M153 PolarHBondContact N-O 3Å; L135-M153 PolarHBondContact O-N 2.86Å; M153-W197 HydrophobicContact CE-CZ2 4.07Å; M153-W197 HydrophobicContact SD-CH2 3.82Å; M153-W197 HydrophobicContact SD-CZ2 3.8Å; M153-V234 HydrophobicContact CB-CG1 4.01Å; M153-V234 HydrophobicContact SD-CG1 4.04Å; M153-V235 WeakPolarHBondContact CA-O 3.34Å |
| 154 | E | 95.3 | Very high | 76.9 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 140.6 | 179.4 | -65 | -172.4 | -178.9 | 0 | 0 | 110.2 | P109 V132 F156 V234 V235 | P109-E154 WeakPolarHBondContact CB-OE2 3.27Å; P109-E154 WeakPolarHBondContact CD-OE2 3.44Å; P109-E154 WeakPolarHBondContact CG-OE2 3.44Å; V132-E154 HydrophobicContact CB-CG 4.36Å; V132-E154 HydrophobicContact CG1-CG 3.91Å; V132-E154 WeakPolarHBondContact CG1-OE1 3.34Å; V132-E154 HydrophobicContact CG2-CB 3.91Å; V132-E154 HydrophobicContact CG2-CG 3.84Å; E154-F156 HydrophobicContact CB-CE2 3.54Å; E154-F156 HydrophobicContact CB-CZ 3.84Å; E154-F156 WeakPolarHBondContact OE2-CZ 3.38Å; E154-V234 CarbonylContact O-C 3.56Å; E154-V234 WeakPolarHBondContact O-CA 3.38Å; E154-V235 PolarHBondContact N-O 2.71Å; E154-V235 PolarHBondContact O-N 2.6Å |
| 155 | F | 97.6 | Very high | 79.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 134.9 | -179.1 | 175.7 | -75.9 | 0 | 0 | 0 | 110.7 | A129 V130 A131 F134 A157 Y159 L175 H176 L179 V232 V234 | A129-F155 HydrophobicContact CB-CE1 4.04Å; V130-F155 WeakPolarHBondContact CA-O 3.48Å; A131-F155 HydrophobicContact CB-CB 4.14Å; A131-F155 PolarHBondContact N-O 3.16Å; A131-F155 PolarHBondContact O-N 3.48Å; F134-F155 HydrophobicContact CB-CB 3.66Å; F134-F155 HydrophobicContact CD1-CB 3.93Å; F134-F155 HydrophobicContact CD2-CB 3.92Å; F134-F155 HydrophobicContact CD2-CG 4.49Å; F134-F155 HydrophobicContact CE1-CD2 4.47Å; F134-F155 HydrophobicContact CE2-CD2 4.46Å; F134-F155 HydrophobicContact CG-CB 3.55Å; F134-F155 HydrophobicContact CG-CG 4.48Å; F134-F155 HydrophobicContact CZ-CD2 4.43Å; F155-A157 HydrophobicContact CE1-CB 3.53Å; F155-A157 HydrophobicContact CZ-CB 3.77Å; F155-Y159 WeakPolarHBondContact CZ-OH 3.27Å; F155-L175 HydrophobicContact CE2-CD2 3.94Å; F155-L175 HydrophobicContact CZ-CD2 3.96Å; F155-H176 HydrophobicContact CD1-CB 3.83Å; F155-H176 HydrophobicContact CD2-CB 3.9Å; F155-H176 HydrophobicContact CE1-CB 3.77Å; F155-H176 HydrophobicContact CE2-CB 3.78Å; F155-H176 HydrophobicContact CG-CB 3.93Å; F155-H176 HydrophobicContact CZ-CB 3.74Å; F155-L179 HydrophobicContact CD2-CD2 3.9Å; F155-L179 HydrophobicContact CE2-CD2 3.84Å; F155-V232 HydrophobicContact CD2-CG1 3.9Å; F155-V232 HydrophobicContact CE2-CB 4.47Å; F155-V232 HydrophobicContact CE2-CG1 3.27Å; F155-V232 HydrophobicContact CE2-CG2 4.41Å; F155-V232 HydrophobicContact CZ-CG1 3.67Å; F155-V232 HydrophobicContact CZ-CG2 4.12Å; F155-V234 HydrophobicContact CD2-CG2 4.12Å |
| 156 | F | 98.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 137.4 | 176.5 | -54.8 | -82.6 | 0 | 0 | 0 | 109.6 | H112 A129 V130 V132 E154 V232 A233 V235 L330 V392 V394 | H112-F156 HydrophobicContact CB-CD1 4.35Å; H112-F156 HydrophobicContact CB-CE1 3.49Å; H112-F156 VanDerWaalsContact CB-CE1 3.49Å; H112-F156 HydrophobicContact CB-CZ 4.06Å; H112-F156 AromaticContact CG-CE1 3.61Å; H112-F156 AromaticContact ND1-CE1 3.91Å; A129-F156 CarbonylContact O-C 3.56Å; A129-F156 WeakPolarHBondContact O-CA 3.39Å; V130-F156 HydrophobicContact CB-CD1 4.4Å; V130-F156 HydrophobicContact CG1-CD1 3.82Å; V130-F156 HydrophobicContact CG1-CE1 3.64Å; V130-F156 HydrophobicContact CG2-CD1 3.98Å; V132-F156 HydrophobicContact CG2-CE1 4.23Å; V132-F156 HydrophobicContact CG2-CZ 4.07Å; E154-F156 HydrophobicContact CB-CE2 3.54Å; E154-F156 HydrophobicContact CB-CZ 3.84Å; E154-F156 WeakPolarHBondContact OE2-CZ 3.38Å; F156-V232 CarbonylContact O-C 3.52Å; F156-V232 WeakPolarHBondContact O-CA 3.42Å; F156-A233 PolarHBondContact N-O 2.83Å; F156-A233 PolarHBondContact O-N 2.73Å; F156-V235 HydrophobicContact CD2-CG2 4.18Å; F156-V235 HydrophobicContact CE2-CG2 4.12Å; F156-L330 HydrophobicContact CB-CD1 4.33Å; F156-L330 HydrophobicContact CB-CD2 4.37Å; F156-V392 HydrophobicContact CB-CG1 4.14Å; F156-V392 HydrophobicContact CD1-CG1 3.91Å; F156-V392 HydrophobicContact CG-CG1 4.36Å; F156-V394 HydrophobicContact CB-CG2 4.24Å; F156-V394 HydrophobicContact CD1-CG2 3.64Å; F156-V394 HydrophobicContact CD2-CG1 4.31Å; F156-V394 HydrophobicContact CD2-CG2 3.58Å; F156-V394 HydrophobicContact CE1-CG1 4.49Å; F156-V394 HydrophobicContact CE1-CG2 3.82Å; F156-V394 HydrophobicContact CE2-CB 4.39Å; F156-V394 HydrophobicContact CE2-CG1 3.69Å; F156-V394 HydrophobicContact CE2-CG2 3.74Å; F156-V394 HydrophobicContact CG-CG2 3.52Å; F156-V394 HydrophobicContact CZ-CB 4.49Å; F156-V394 HydrophobicContact CZ-CG1 3.8Å; F156-V394 HydrophobicContact CZ-CG2 3.86Å |
| 157 | A | 98.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 153.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V128 A129 F155 Y159 V231 V232 | V128-A157 WeakPolarHBondContact CA-O 3.26Å; A129-A157 PolarHBondContact N-O 3.37Å; A129-A157 PolarHBondContact O-N 3.15Å; F155-A157 HydrophobicContact CE1-CB 3.53Å; F155-A157 HydrophobicContact CZ-CB 3.77Å; A157-Y159 HydrophobicContact CB-CE1 3.78Å; A157-Y159 HydrophobicContact CB-CE2 3.85Å; A157-Y159 WeakPolarHBondContact CB-OH 3.28Å; A157-V231 WeakPolarHBondContact CA-O 3.44Å; A157-V231 WeakPolarHBondContact CB-O 3.3Å; A157-V232 HydrophobicContact CB-CB 4.5Å; A157-V232 HydrophobicContact CB-CG2 3.93Å |
| 158 | V | 98.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.7 | 167.8 | 178.5 | 0 | 0 | 0 | 0 | 108 | V128 V231 L330 V392 | V128-V158 HydrophobicContact CG1-CG2 4.2Å; V158-V231 HydrophobicContact CB-CG1 3.91Å; V158-V231 PolarHBondContact N-O 2.85Å; V158-V231 PolarHBondContact O-N 3Å; V158-L330 HydrophobicContact CG2-CB 3.85Å; V158-V392 HydrophobicContact CG2-CB 4.49Å; V158-V392 HydrophobicContact CG2-CG2 3.81Å |
| 159 | Y | 98.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 112.4 | 178.2 | -45.4 | -70.3 | 0 | 0 | 0 | 108 | D126 A127 A129 F155 A157 C171 R172 L175 T229 A230 V232 | D126-Y159 CarbonylContact C-O 3.56Å; D126-Y159 WeakPolarHBondContact CA-O 3.39Å; A127-Y159 HydrophobicContact CB-CD2 4.17Å; A127-Y159 PolarHBondContact N-O 3.44Å; A127-Y159 PolarHBondContact O-N 3.37Å; A129-Y159 HydrophobicContact CB-CE2 3.74Å; F155-Y159 WeakPolarHBondContact CZ-OH 3.27Å; A157-Y159 HydrophobicContact CB-CE1 3.78Å; A157-Y159 HydrophobicContact CB-CE2 3.85Å; A157-Y159 WeakPolarHBondContact CB-OH 3.28Å; Y159-C171 HydrophobicContact CD1-CB 3.5Å; Y159-C171 VanDerWaalsContact CD1-CB 3.5Å; Y159-C171 HydrophobicContact CD2-CB 4.16Å; Y159-C171 HydrophobicContact CE1-CB 3.68Å; Y159-C171 HydrophobicContact CE2-CB 4.32Å; Y159-C171 HydrophobicContact CG-CB 3.73Å; Y159-C171 PolarHBondContact OH-O 2.84Å; Y159-R172 HydrophobicContact CD2-CB 4.13Å; Y159-R172 VanDerWaalsContact CE2-CA 3.44Å; Y159-R172 HydrophobicContact CE2-CB 4.04Å; Y159-L175 HydrophobicContact CE1-CD1 3.91Å; Y159-T229 VanDerWaalsContact CA-O 3.3Å; Y159-T229 WeakPolarHBondContact CA-O 3.23Å; Y159-A230 HydrophobicContact CD1-CB 3.76Å; Y159-A230 HydrophobicContact CE1-CB 4.03Å; Y159-V232 HydrophobicContact CE1-CG2 4.45Å |
| 160 | D | 98.8 | Very high | 92.7 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 7% | 0.07 | 16% | 0.164 | C | C | . | . | trans | -95.2 | 110.1 | 178.3 | -166.9 | -27.6 | 0 | 0 | 0 | 107.7 | D126 S228 T229 S332 D333 | D126-D160 WeakPolarHBondContact OD1-CA 3.22Å; D160-S228 VanDerWaalsContact C-OG 3.27Å; D160-S228 CarbonylContact O-C 3.58Å; D160-S228 WeakPolarHBondContact O-CA 3.43Å; D160-S228 PolarHBondContact O-OG 2.87Å; D160-T229 HydrophobicContact CB-CG2 4.12Å; D160-T229 WeakPolarHBondContact CB-OG1 3.32Å; D160-T229 PolarHBondContact N-OG1 3.49Å; D160-T229 PolarHBondContact O-N 3.1Å; D160-S332 WeakPolarHBondContact OD2-CB 3.5Å; D160-D333 PolarHBondContact OD2-N 3.42Å | ||
| 161 | G | 98.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 23 Ų | 23 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 146.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E125 | E125-G161 WeakPolarHBondContact CB-O 3.36Å; E125-G161 WeakPolarHBondContact O-CA 3.45Å; E125-G161 PolarHBondContact O-N 2.96Å |
| 162 | H | 97 | Very high | 96.3 | Very high | 36 Ų | 36 | 25.7 Ų | 25.7 | 17% | 0.167 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 144.1 | 173.8 | 57.1 | -103.6 | 0 | 0 | 0 | 112 | G164 G227 D303 | H162-G164 PolarHBondContact O-N 3.14Å; H162-G227 PolarHBondContact N-O 3.4Å; H162-G227 WeakPolarHBondContact NE2-CA 3.33Å; H162-G227 PolarHBondContact O-N 3.23Å; H162-D303 IonicContact CD2-OD1 3.76Å; H162-D303 PolarHBondContact CD2-OD1 3.23Å; H162-D303 IonicContact CD2-OD2 3.54Å; H162-D303 IonicContact CE1-OD2 2.77Å; H162-D303 PolarHBondContact CE1-OD2 3.44Å; H162-D303 VanDerWaalsContact CE1-OD2 3.27Å; H162-D303 IonicContact NE2-OD1 3.37Å; H162-D303 PolarHBondContact NE2-OD1 2.76Å; H162-D303 IonicContact NE2-OD2 2.66Å; H162-D303 PolarHBondContact NE2-OD2 2.94Å |
| 163 | G | 94 | Very high | 96.9 | Very high | 56 Ų | 56 | 28 Ų | 28 | 58% | 0.577 | 15% | 0.153 | S | C | * | . | S | Bend | trans | 74.9 | 7.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E125 | E125-G163 PolarHBondContact OE1-N 3.07Š|
| 164 | G | 94.4 | Very high | 97.2 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 14% | 0.144 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 138.5 | 161.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E125 H162 V226 | E125-G164 WeakPolarHBondContact OE1-CA 3.33Å; E125-G164 PolarHBondContact OE1-N 3.26Å; H162-G164 PolarHBondContact O-N 3.14Å; G164-V226 WeakPolarHBondContact O-CG1 3.2Å |
| 165 | S | 95.6 | Very high | 97.3 | Very high | 38 Ų | 38 | 29.7 Ų | 29.7 | 27% | 0.266 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -83 | -12.4 | -178 | 73.1 | 0 | 0 | 0 | 0 | 114.6 | V167 A168 D169 | S165-V167 VanDerWaalsContact C-N 3.34Å; S165-V167 PolarHBondContact O-N 3.36Å; S165-A168 WeakPolarHBondContact O-CB 3.44Å; S165-A168 PolarHBondContact O-N 3.27Å; S165-A168 VanDerWaalsContact O-N 3.1Å; S165-D169 WeakPolarHBondContact CB-OD2 3.47Å; S165-D169 WeakPolarHBondContact O-CB 3.27Å; S165-D169 PolarHBondContact O-N 2.96Å; S165-D169 PolarHBondContact OG-OD2 2.97Å |
| 166 | R | 94.8 | Very high | 97.3 | Very high | 107 Ų | 107 | 31.9 Ų | 31.9 | 40% | 0.404 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.4 | -40 | -163.3 | -60 | -174.8 | -142.1 | 168.8 | 6.1 | 113.7 | A170 E216 N220 | R166-A170 VanDerWaalsContact O-CB 3.32Å; R166-A170 WeakPolarHBondContact O-CB 3.48Å; R166-A170 PolarHBondContact O-N 3.14Å; R166-E216 IonicContact NH1-OE1 3.46Å; R166-N220 VanDerWaalsContact CZ-OD1 3.3Å; R166-N220 PolarHBondContact NH1-ND2 3.25Å; R166-N220 PolarHBondContact NH1-OD1 3.27Å; R166-N220 PolarHBondContact NH2-ND2 3.09Å; R166-N220 PolarHBondContact NH2-OD1 3.5Å |
| 167 | V | 97 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.3 | -41 | 178.9 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | S165 D169 A170 C171 V212 E216 V226 I301 | S165-V167 VanDerWaalsContact C-N 3.34Å; S165-V167 PolarHBondContact O-N 3.36Å; V167-D169 PolarHBondContact O-N 3.42Å; V167-A170 PolarHBondContact O-N 3.06Å; V167-C171 WeakPolarHBondContact O-CB 3.41Å; V167-C171 PolarHBondContact O-N 3.29Å; V167-C171 PolarHBondContact O-SG 2.82Å; V167-V212 HydrophobicContact CB-CG1 4.43Å; V167-V212 HydrophobicContact CG1-CG1 4.08Å; V167-V212 HydrophobicContact CG1-CG2 4.43Å; V167-V212 HydrophobicContact CG2-CG1 3.7Å; V167-E216 HydrophobicContact CG2-CG 4.47Å; V167-V226 HydrophobicContact CB-CG1 4.36Å; V167-V226 HydrophobicContact CG2-CB 4Å; V167-V226 HydrophobicContact CG2-CG1 3.76Å; V167-I301 HydrophobicContact CG1-CB 4.22Å; V167-I301 HydrophobicContact CG1-CG2 3.8Å |
| 168 | A | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | E125 A127 S165 C171 R172 S228 | E125-A168 WeakPolarHBondContact O-CB 3.24Å; A127-A168 HydrophobicContact CB-CB 4.02Å; S165-A168 WeakPolarHBondContact O-CB 3.44Å; S165-A168 PolarHBondContact O-N 3.27Å; S165-A168 VanDerWaalsContact O-N 3.1Å; A168-C171 PolarHBondContact O-N 2.93Å; A168-R172 PolarHBondContact O-N 2.82Å; A168-S228 WeakPolarHBondContact CB-OG 3.35Å |
| 169 | D | 97.3 | Very high | 97.1 | Very high | 42 Ų | 42 | 34.2 Ų | 34.2 | 23% | 0.225 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.4 | -43.9 | 174.5 | -74 | -46.3 | 0 | 0 | 0 | 111.6 | S165 V167 R172 E173 | S165-D169 WeakPolarHBondContact CB-OD2 3.47Å; S165-D169 WeakPolarHBondContact O-CB 3.27Å; S165-D169 PolarHBondContact O-N 2.96Å; S165-D169 PolarHBondContact OG-OD2 2.97Å; V167-D169 PolarHBondContact O-N 3.42Å; D169-R172 WeakPolarHBondContact O-CB 3.24Å; D169-R172 PolarHBondContact O-N 3.27Å; D169-R172 IonicContact OD1-CZ 2.9Å; D169-R172 IonicContact OD1-NH1 3.27Å; D169-R172 PolarHBondContact OD1-NH1 2.93Å; D169-R172 IonicContact OD1-NH2 2.71Å; D169-R172 PolarHBondContact OD1-NH2 3.17Å; D169-E173 WeakPolarHBondContact O-CG 3.49Å; D169-E173 PolarHBondContact O-N 2.87Å; D169-E173 VanDerWaalsContact O-N 3.12Å |
| 170 | A | 96.7 | Very high | 96.8 | Very high | 28 Ų | 28 | 35.5 Ų | 35.5 | 23% | 0.231 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R166 V167 R172 E173 R174 V212 | R166-A170 VanDerWaalsContact O-CB 3.32Å; R166-A170 WeakPolarHBondContact O-CB 3.48Å; R166-A170 PolarHBondContact O-N 3.14Å; V167-A170 PolarHBondContact O-N 3.06Å; A170-R172 VanDerWaalsContact C-N 3.35Å; A170-R172 PolarHBondContact O-N 3.34Å; A170-E173 PolarHBondContact O-N 3.46Å; A170-R174 VanDerWaalsContact O-CB 3.27Å; A170-R174 WeakPolarHBondContact O-CB 3.4Å; A170-R174 WeakPolarHBondContact O-CG 3.45Å; A170-R174 PolarHBondContact O-N 2.79Å; A170-V212 HydrophobicContact CB-CG2 3.99Å |
| 171 | C | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 174.4 | -72.6 | 0 | 0 | 0 | 0 | 111.9 | Y159 V167 A168 E173 R174 L175 I301 | Y159-C171 HydrophobicContact CD1-CB 3.5Å; Y159-C171 VanDerWaalsContact CD1-CB 3.5Å; Y159-C171 HydrophobicContact CD2-CB 4.16Å; Y159-C171 HydrophobicContact CE1-CB 3.68Å; Y159-C171 HydrophobicContact CE2-CB 4.32Å; Y159-C171 HydrophobicContact CG-CB 3.73Å; Y159-C171 PolarHBondContact OH-O 2.84Å; V167-C171 WeakPolarHBondContact O-CB 3.41Å; V167-C171 PolarHBondContact O-N 3.29Å; V167-C171 PolarHBondContact O-SG 2.82Å; A168-C171 PolarHBondContact O-N 2.93Å; C171-E173 VanDerWaalsContact C-N 3.28Å; C171-E173 PolarHBondContact O-N 3.3Å; C171-R174 PolarHBondContact O-N 2.8Å; C171-L175 VanDerWaalsContact O-CB 3.24Å; C171-L175 WeakPolarHBondContact O-CB 3.2Å; C171-L175 PolarHBondContact O-N 3.06Å; C171-I301 VanDerWaalsContact SG-CD1 3.59Å |
| 172 | R | 98.2 | Very high | 96.4 | Very high | 86 Ų | 86 | 38.9 Ų | 38.9 | 33% | 0.325 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -55.2 | -43.6 | 174.8 | 178.4 | -176.6 | 68.8 | -138.5 | -8.2 | 112.2 | A127 V128 A129 Y159 A168 D169 A170 H176 | A127-R172 HydrophobicContact CB-CB 4.14Å; V128-R172 WeakPolarHBondContact O-CD 3.22Å; V128-R172 WeakPolarHBondContact O-CG 3.47Å; A129-R172 HydrophobicContact CB-CG 4.18Å; Y159-R172 HydrophobicContact CD2-CB 4.13Å; Y159-R172 VanDerWaalsContact CE2-CA 3.44Å; Y159-R172 HydrophobicContact CE2-CB 4.04Å; A168-R172 PolarHBondContact O-N 2.82Å; D169-R172 WeakPolarHBondContact O-CB 3.24Å; D169-R172 PolarHBondContact O-N 3.27Å; D169-R172 IonicContact OD1-CZ 2.9Å; D169-R172 IonicContact OD1-NH1 3.27Å; D169-R172 PolarHBondContact OD1-NH1 2.93Å; D169-R172 IonicContact OD1-NH2 2.71Å; D169-R172 PolarHBondContact OD1-NH2 3.17Å; A170-R172 VanDerWaalsContact C-N 3.35Å; A170-R172 PolarHBondContact O-N 3.34Å; R172-H176 PolarHBondContact O-CE1 2.99Å; R172-H176 PolarHBondContact O-ND1 3.28Å |
| 173 | E | 97.2 | Very high | 96.1 | Very high | 119 Ų | 119 | 37.4 Ų | 37.4 | 56% | 0.556 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -82.1 | -34.2 | -175.9 | -68.9 | 175 | -170.1 | 0 | 0 | 113.5 | D169 A170 C171 H176 | D169-E173 WeakPolarHBondContact O-CG 3.49Å; D169-E173 PolarHBondContact O-N 2.87Å; D169-E173 VanDerWaalsContact O-N 3.12Å; A170-E173 PolarHBondContact O-N 3.46Å; C171-E173 VanDerWaalsContact C-N 3.28Å; C171-E173 PolarHBondContact O-N 3.3Å; E173-H176 PolarHBondContact O-CE1 2.92Å; E173-H176 VanDerWaalsContact O-CE1 3.27Å |
| 174 | R | 97.4 | Very high | 95.8 | Very high | 81 Ų | 81 | 37.7 Ų | 37.7 | 31% | 0.306 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -107.9 | -35.1 | -166.6 | -63 | -63.6 | -60.4 | 139.9 | 3.7 | 114.7 | A170 C171 H176 V177 V178 E211 | A170-R174 VanDerWaalsContact O-CB 3.27Å; A170-R174 WeakPolarHBondContact O-CB 3.4Å; A170-R174 WeakPolarHBondContact O-CG 3.45Å; A170-R174 PolarHBondContact O-N 2.79Å; C171-R174 PolarHBondContact O-N 2.8Å; R174-H176 PolarHBondContact O-N 3.04Å; R174-V177 WeakPolarHBondContact O-CB 3.35Å; R174-V177 PolarHBondContact O-N 2.77Å; R174-V178 WeakPolarHBondContact O-CG2 3.24Å; R174-V178 PolarHBondContact O-N 2.79Å; R174-E211 IonicContact CZ-OE2 2.69Å; R174-E211 IonicContact NE-OE2 3.39Å; R174-E211 PolarHBondContact NE-OE2 2.92Å; R174-E211 IonicContact NH2-OE1 3.75Å; R174-E211 PolarHBondContact NH2-OE1 3.27Å; R174-E211 IonicContact NH2-OE2 3.16Å; R174-E211 PolarHBondContact NH2-OE2 2.66Å |
| 175 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | -165.3 | -161.6 | 159.6 | 0 | 0 | 0 | 112.3 | F155 Y159 C171 V177 V178 L179 C204 F205 V208 A230 V232 I301 | F155-L175 HydrophobicContact CE2-CD2 3.94Å; F155-L175 HydrophobicContact CZ-CD2 3.96Å; Y159-L175 HydrophobicContact CE1-CD1 3.91Å; C171-L175 VanDerWaalsContact O-CB 3.24Å; C171-L175 WeakPolarHBondContact O-CB 3.2Å; C171-L175 PolarHBondContact O-N 3.06Å; L175-V177 VanDerWaalsContact C-N 3.33Å; L175-V177 PolarHBondContact O-N 2.84Å; L175-V178 PolarHBondContact O-N 3.47Å; L175-L179 VanDerWaalsContact O-CB 3.26Å; L175-L179 WeakPolarHBondContact O-CB 3.35Å; L175-L179 PolarHBondContact O-N 3.34Å; L175-C204 PolarHBondContact O-SG 2.93Å; L175-F205 HydrophobicContact CD1-CD2 4.45Å; L175-F205 HydrophobicContact CD1-CE2 4.07Å; L175-F205 HydrophobicContact CD1-CZ 4.15Å; L175-F205 HydrophobicContact CD2-CE2 4.17Å; L175-V208 HydrophobicContact CB-CG2 4.3Å; L175-V208 HydrophobicContact CG-CG2 4.24Å; L175-A230 HydrophobicContact CD1-CB 4.21Å; L175-V232 HydrophobicContact CD1-CG2 4.1Å; L175-V232 HydrophobicContact CD2-CG2 3.79Å; L175-I301 HydrophobicContact CD1-CD1 4.17Å |
| 176 | H | 97.4 | Very high | 94.9 | Very high | 47 Ų | 47 | 42.9 Ų | 42.9 | 22% | 0.218 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.3 | -39.4 | 175.3 | 64.2 | -74.5 | 0 | 0 | 0 | 112.2 | F134 F155 R172 E173 R174 L179 A180 | F134-H176 HydrophobicContact CD2-CB 4.47Å; F134-H176 HydrophobicContact CE2-CB 4.23Å; F134-H176 WeakPolarHBondContact CE2-O 3.04Å; F155-H176 HydrophobicContact CD1-CB 3.83Å; F155-H176 HydrophobicContact CD2-CB 3.9Å; F155-H176 HydrophobicContact CE1-CB 3.77Å; F155-H176 HydrophobicContact CE2-CB 3.78Å; F155-H176 HydrophobicContact CG-CB 3.93Å; F155-H176 HydrophobicContact CZ-CB 3.74Å; R172-H176 PolarHBondContact O-CE1 2.99Å; R172-H176 PolarHBondContact O-ND1 3.28Å; E173-H176 PolarHBondContact O-CE1 2.92Å; E173-H176 VanDerWaalsContact O-CE1 3.27Å; R174-H176 PolarHBondContact O-N 3.04Å; H176-L179 PolarHBondContact O-N 3.22Å; H176-A180 PolarHBondContact O-N 3.28Å |
| 177 | V | 97 | Very high | 94 | Very high | 48 Ų | 48 | 44 Ų | 44 | 29% | 0.291 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.1 | -50.6 | 177.5 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | R174 L175 L179 A180 E181 | R174-V177 WeakPolarHBondContact O-CB 3.35Å; R174-V177 PolarHBondContact O-N 2.77Å; L175-V177 VanDerWaalsContact C-N 3.33Å; L175-V177 PolarHBondContact O-N 2.84Å; V177-L179 VanDerWaalsContact C-N 3.3Å; V177-L179 PolarHBondContact O-N 3.12Å; V177-A180 PolarHBondContact O-N 3.32Å; V177-E181 WeakPolarHBondContact O-CG 3.35Å; V177-E181 PolarHBondContact O-N 2.92Å; V177-E181 VanDerWaalsContact O-N 3.12Å |
| 178 | V | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 177.9 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | R174 L175 A180 E181 E182 C204 R207 V208 | R174-V178 WeakPolarHBondContact O-CG2 3.24Å; R174-V178 PolarHBondContact O-N 2.79Å; L175-V178 PolarHBondContact O-N 3.47Å; V178-A180 VanDerWaalsContact C-N 3.33Å; V178-A180 PolarHBondContact O-N 2.84Å; V178-E181 WeakPolarHBondContact O-CB 3.35Å; V178-E181 PolarHBondContact O-N 3.35Å; V178-E181 VanDerWaalsContact O-N 3.16Å; V178-E182 HydrophobicContact CG1-CG 4.26Å; V178-E182 WeakPolarHBondContact O-CG 3.35Å; V178-E182 PolarHBondContact O-N 2.87Å; V178-C204 HydrophobicContact CG1-CB 4.44Å; V178-R207 HydrophobicContact CG1-CB 3.99Å; V178-R207 HydrophobicContact CG1-CG 3.96Å; V178-V208 HydrophobicContact CB-CG2 3.93Å; V178-V208 HydrophobicContact CG1-CG2 4.13Å; V178-V208 HydrophobicContact CG2-CG2 3.94Å |
| 179 | L | 96.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 176.9 | -176.4 | 60.5 | 0 | 0 | 0 | 111.9 | F134 F155 L175 H176 V177 E181 E182 V183 V200 M201 C204 V234 | F134-L179 HydrophobicContact CE1-CD2 3.92Å; F134-L179 HydrophobicContact CE1-CG 4.22Å; F134-L179 HydrophobicContact CZ-CB 3.96Å; F134-L179 HydrophobicContact CZ-CD2 3.75Å; F134-L179 HydrophobicContact CZ-CG 3.74Å; F155-L179 HydrophobicContact CD2-CD2 3.9Å; F155-L179 HydrophobicContact CE2-CD2 3.84Å; L175-L179 VanDerWaalsContact O-CB 3.26Å; L175-L179 WeakPolarHBondContact O-CB 3.35Å; L175-L179 PolarHBondContact O-N 3.34Å; H176-L179 PolarHBondContact O-N 3.22Å; V177-L179 VanDerWaalsContact C-N 3.3Å; V177-L179 PolarHBondContact O-N 3.12Å; L179-E181 VanDerWaalsContact C-N 3.31Å; L179-E181 PolarHBondContact O-N 3.07Å; L179-E182 PolarHBondContact O-N 2.88Å; L179-V183 HydrophobicContact CD1-CG2 4.45Å; L179-V183 WeakPolarHBondContact O-CB 3.45Å; L179-V183 VanDerWaalsContact O-CG2 3.25Å; L179-V183 WeakPolarHBondContact O-CG2 3.43Å; L179-V183 PolarHBondContact O-N 3.49Å; L179-V200 HydrophobicContact CD1-CG1 3.61Å; L179-M201 HydrophobicContact CD1-CE 4.23Å; L179-M201 HydrophobicContact CD1-SD 3.6Å; L179-M201 HydrophobicContact CD2-CE 3.87Å; L179-M201 HydrophobicContact CD2-SD 3.97Å; L179-M201 HydrophobicContact CG-SD 4.46Å; L179-C204 HydrophobicContact CB-CB 4.4Å; L179-C204 HydrophobicContact CD1-CB 3.94Å; L179-C204 PolarHBondContact N-SG 3.46Å; L179-V234 HydrophobicContact CD2-CG2 3.78Å |
| 180 | A | 93.8 | Very high | 89.1 | Confident | 28 Ų | 28 | 55.2 Ų | 55.2 | 23% | 0.231 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F134 L135 H176 V177 V178 V183 A184 | F134-A180 HydrophobicContact CE2-CB 3.79Å; F134-A180 HydrophobicContact CZ-CB 4.07Å; L135-A180 HydrophobicContact CD2-CB 3.96Å; H176-A180 PolarHBondContact O-N 3.28Å; V177-A180 PolarHBondContact O-N 3.32Å; V178-A180 VanDerWaalsContact C-N 3.33Å; V178-A180 PolarHBondContact O-N 2.84Å; A180-V183 PolarHBondContact O-N 3.17Å; A180-A184 WeakPolarHBondContact O-CB 3.44Å; A180-A184 PolarHBondContact O-N 2.91Å |
| 181 | E | 94.3 | Very high | 87 | Confident | 76 Ų | 76 | 56.9 Ų | 56.9 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 175.6 | -66.6 | 171 | -169.3 | 0 | 0 | 111.8 | V177 V178 L179 A184 R185 R207 | V177-E181 WeakPolarHBondContact O-CG 3.35Å; V177-E181 PolarHBondContact O-N 2.92Å; V177-E181 VanDerWaalsContact O-N 3.12Å; V178-E181 WeakPolarHBondContact O-CB 3.35Å; V178-E181 PolarHBondContact O-N 3.35Å; V178-E181 VanDerWaalsContact O-N 3.16Å; L179-E181 VanDerWaalsContact C-N 3.31Å; L179-E181 PolarHBondContact O-N 3.07Å; E181-A184 PolarHBondContact O-N 2.86Å; E181-R185 VanDerWaalsContact O-CB 3.29Å; E181-R185 WeakPolarHBondContact O-CB 3.37Å; E181-R185 PolarHBondContact O-N 2.85Å; E181-R207 IonicContact OE2-CZ 3.87Å; E181-R207 IonicContact OE2-NH1 2.66Å; E181-R207 PolarHBondContact OE2-NH1 2.79Å; E181-R207 IonicContact OE2-NH2 3.06Å; E181-R207 PolarHBondContact OE2-NH2 3.22Å |
| 182 | E | 94 | Very high | 85.1 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 176.6 | -67.4 | -52.2 | 138.1 | 0 | 0 | 112 | V178 L179 A184 R185 L186 V200 A203 C204 R207 | V178-E182 HydrophobicContact CG1-CG 4.26Å; V178-E182 WeakPolarHBondContact O-CG 3.35Å; V178-E182 PolarHBondContact O-N 2.87Å; L179-E182 PolarHBondContact O-N 2.88Å; E182-A184 VanDerWaalsContact C-N 3.33Å; E182-A184 PolarHBondContact O-N 2.78Å; E182-R185 PolarHBondContact O-N 3.43Å; E182-R185 IonicContact OE1-NE 2.76Å; E182-R185 IonicContact OE2-CZ 3.2Å; E182-R185 IonicContact OE2-NE 3.16Å; E182-R185 PolarHBondContact OE2-NE 3.11Å; E182-R185 IonicContact OE2-NH2 2.98Å; E182-R185 PolarHBondContact OE2-NH2 2.98Å; E182-L186 WeakPolarHBondContact O-CB 3.45Å; E182-L186 PolarHBondContact O-N 3.27Å; E182-V200 HydrophobicContact CB-CG1 4.13Å; E182-A203 HydrophobicContact CG-CB 4.27Å; E182-C204 HydrophobicContact CG-CB 4.21Å; E182-R207 IonicContact OE1-NH1 2.97Å; E182-R207 PolarHBondContact OE1-NH1 2.78Å |
| 183 | V | 90.3 | Very high | 83.7 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 173.1 | 165 | 0 | 0 | 0 | 0 | 111.2 | L135 L179 A180 H187 L188 V189 W197 V200 | L135-V183 HydrophobicContact CD1-CB 4.06Å; L135-V183 HydrophobicContact CD1-CG1 3.61Å; L135-V183 HydrophobicContact CD1-CG2 3.96Å; L135-V183 HydrophobicContact CD2-CG1 4.4Å; L179-V183 HydrophobicContact CD1-CG2 4.45Å; L179-V183 WeakPolarHBondContact O-CB 3.45Å; L179-V183 VanDerWaalsContact O-CG2 3.25Å; L179-V183 WeakPolarHBondContact O-CG2 3.43Å; L179-V183 PolarHBondContact O-N 3.49Å; A180-V183 PolarHBondContact O-N 3.17Å; V183-H187 PolarHBondContact O-N 3.44Å; V183-H187 VanDerWaalsContact O-N 3.13Å; V183-L188 HydrophobicContact CG1-CB 4.02Å; V183-L188 HydrophobicContact CG2-CD2 4.13Å; V183-L188 PolarHBondContact O-N 2.91Å; V183-L188 VanDerWaalsContact O-N 3.11Å; V183-V189 HydrophobicContact CG1-CG2 4.14Å; V183-W197 HydrophobicContact CG2-CH2 4.46Å; V183-W197 HydrophobicContact CG2-CZ3 4.21Å; V183-V200 HydrophobicContact CG2-CG1 3.57Å |
| 184 | A | 88.2 | Confident | 82.8 | Confident | 62 Ų | 62 | 53.4 Ų | 53.4 | 51% | 0.512 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.1 | -48.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A180 E181 E182 L186 H187 | A180-A184 WeakPolarHBondContact O-CB 3.44Å; A180-A184 PolarHBondContact O-N 2.91Å; E181-A184 PolarHBondContact O-N 2.86Å; E182-A184 VanDerWaalsContact C-N 3.33Å; E182-A184 PolarHBondContact O-N 2.78Å; A184-L186 PolarHBondContact O-N 2.75Å; A184-H187 PolarHBondContact O-N 2.81Å; A184-H187 VanDerWaalsContact O-N 3.14Å |
| 185 | R | 87 | Confident | 82.1 | Confident | 136 Ų | 136 | 51.9 Ų | 51.9 | 51% | 0.513 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.6 | -43.7 | -179.6 | -171.5 | -174.8 | 68.6 | 77 | -0.2 | 112.1 | E181 E182 H187 | E181-R185 VanDerWaalsContact O-CB 3.29Å; E181-R185 WeakPolarHBondContact O-CB 3.37Å; E181-R185 PolarHBondContact O-N 2.85Å; E182-R185 PolarHBondContact O-N 3.43Å; E182-R185 IonicContact OE1-NE 2.76Å; E182-R185 IonicContact OE2-CZ 3.2Å; E182-R185 IonicContact OE2-NE 3.16Å; E182-R185 PolarHBondContact OE2-NE 3.11Å; E182-R185 IonicContact OE2-NH2 2.98Å; E182-R185 PolarHBondContact OE2-NH2 2.98Å; R185-H187 VanDerWaalsContact C-N 3.3Å; R185-H187 PolarHBondContact O-CE1 3.44Å; R185-H187 PolarHBondContact O-N 3.15Å; R185-H187 PolarHBondContact O-ND1 3.23Å |
| 186 | L | 83.3 | Confident | 81.6 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 8.6 | -179.5 | -65.3 | 173.9 | 0 | 0 | 0 | 113.2 | E182 A184 L188 R196 E199 V200 | E182-L186 WeakPolarHBondContact O-CB 3.45Å; E182-L186 PolarHBondContact O-N 3.27Å; A184-L186 PolarHBondContact O-N 2.75Å; L186-L188 VanDerWaalsContact C-N 3.27Å; L186-L188 PolarHBondContact O-N 3.47Å; L186-R196 PolarHBondContact O-NH2 2.91Å; L186-E199 HydrophobicContact CD1-CG 3.98Å; L186-V200 HydrophobicContact CB-CG2 3.82Å; L186-V200 HydrophobicContact CD1-CB 4.24Å; L186-V200 HydrophobicContact CD1-CG2 3.46Å; L186-V200 VanDerWaalsContact CD1-CG2 3.46Å; L186-V200 HydrophobicContact CG-CG2 4.24Å |
| 187 | H | 76 | Confident | 81.3 | Confident | 131 Ų | 131 | 54.2 Ų | 54.2 | 61% | 0.606 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 39.2 | 173.3 | -60.3 | 81 | 0 | 0 | 0 | 114.2 | V183 A184 R185 V189 R196 | V183-H187 PolarHBondContact O-N 3.44Å; V183-H187 VanDerWaalsContact O-N 3.13Å; A184-H187 PolarHBondContact O-N 2.81Å; A184-H187 VanDerWaalsContact O-N 3.14Å; R185-H187 VanDerWaalsContact C-N 3.3Å; R185-H187 PolarHBondContact O-CE1 3.44Å; R185-H187 PolarHBondContact O-N 3.15Å; R185-H187 PolarHBondContact O-ND1 3.23Å; H187-V189 PolarHBondContact O-N 3.46Å; H187-R196 PolarHBondContact O-NH2 3.14Å |
| 188 | L | 75.8 | Confident | 81.1 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -69.4 | -18.5 | -172.6 | -162.3 | 75.5 | 0 | 0 | 0 | 113.7 | V183 L186 K190 G191 G192 R196 W197 V200 | V183-L188 HydrophobicContact CG1-CB 4.02Å; V183-L188 HydrophobicContact CG2-CD2 4.13Å; V183-L188 PolarHBondContact O-N 2.91Å; V183-L188 VanDerWaalsContact O-N 3.11Å; L186-L188 VanDerWaalsContact C-N 3.27Å; L186-L188 PolarHBondContact O-N 3.47Å; L188-K190 PolarHBondContact O-N 2.92Å; L188-G191 PolarHBondContact O-N 3.26Å; L188-G192 PolarHBondContact O-N 3.02Å; L188-R196 HydrophobicContact CD1-CB 3.23Å; L188-R196 HydrophobicContact CD1-CG 4.43Å; L188-W197 HydrophobicContact CD2-CD2 3.4Å; L188-W197 HydrophobicContact CD2-CE3 3.49Å; L188-W197 VanDerWaalsContact CD2-CE3 3.49Å; L188-W197 HydrophobicContact CD2-CG 4.09Å; L188-W197 HydrophobicContact CD2-CH2 3.57Å; L188-W197 HydrophobicContact CD2-CZ2 3.47Å; L188-W197 VanDerWaalsContact CD2-CZ2 3.47Å; L188-W197 HydrophobicContact CD2-CZ3 3.57Å; L188-V200 HydrophobicContact CB-CG2 4.48Å; L188-V200 HydrophobicContact CD1-CG2 4.17Å; L188-V200 HydrophobicContact CD2-CG2 4.16Å |
| 189 | V | 60 | Low | 80.9 | Confident | 79 Ų | 79 | 61.9 Ų | 61.9 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -59.7 | -17.1 | -173.6 | -172.6 | 0 | 0 | 0 | 0 | 113.2 | A137 V183 H187 G191 | A137-V189 HydrophobicContact CB-CG1 3.49Å; A137-V189 VanDerWaalsContact CB-CG1 3.49Å; V183-V189 HydrophobicContact CG1-CG2 4.14Å; H187-V189 PolarHBondContact O-N 3.46Å; V189-G191 VanDerWaalsContact C-N 3.27Å; V189-G191 PolarHBondContact O-N 3.38Å |
| 190 | K | 53.7 | Low | 80.8 | Confident | 190 Ų | 190 | 61.9 Ų | 61.9 | 83% | 0.826 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -85.4 | 26.7 | 179.3 | -62.7 | -170.4 | 177.5 | -175.9 | 0 | 115.3 | L188 | L188-K190 PolarHBondContact O-N 2.92Š|
| 191 | G | 53.2 | Low | 81 | Confident | 63 Ų | 63 | 60.6 Ų | 60.6 | 65% | 0.649 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 48.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | L188 V189 D193 | L188-G191 PolarHBondContact O-N 3.26Å; V189-G191 VanDerWaalsContact C-N 3.27Å; V189-G191 PolarHBondContact O-N 3.38Å; G191-D193 PolarHBondContact O-N 3.4Å |
| 192 | G | 58 | Low | 81.1 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | trans | -50.7 | 133.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L188 | L188-G192 PolarHBondContact O-N 3.02Š| ||
| 193 | D | 70.6 | Confident | 81.3 | Confident | 99 Ų | 99 | 61.2 Ų | 61.2 | 53% | 0.529 | 33% | 0.327 | S | S | . | . | trans | -71 | 174.7 | 168.5 | 64.3 | 25.5 | 0 | 0 | 0 | 110.8 | G191 A195 R196 W197 | G191-D193 PolarHBondContact O-N 3.4Å; D193-A195 PolarHBondContact O-N 3.45Å; D193-A195 VanDerWaalsContact O-N 3.14Å; D193-A195 WeakPolarHBondContact OD1-CB 3.44Å; D193-A195 PolarHBondContact OD1-N 3.24Å; D193-R196 PolarHBondContact O-N 3.11Å; D193-R196 PolarHBondContact OD1-N 2.99Å; D193-W197 PolarHBondContact O-N 2.85Å | ||
| 194 | G | 77.8 | Confident | 81.7 | Confident | 24 Ų | 24 | 61 Ų | 61 | 25% | 0.247 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59 | -26.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | R198 | G194-R198 WeakPolarHBondContact O-CG 3.22Å; G194-R198 PolarHBondContact O-N 3.04Å; G194-R198 PolarHBondContact O-NH1 2.9Å |
| 195 | A | 82.2 | Confident | 82.2 | Confident | 49 Ų | 49 | 58.1 Ų | 58.1 | 41% | 0.405 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.5 | -40.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D193 W197 R198 E199 | D193-A195 PolarHBondContact O-N 3.45Å; D193-A195 VanDerWaalsContact O-N 3.14Å; D193-A195 WeakPolarHBondContact OD1-CB 3.44Å; D193-A195 PolarHBondContact OD1-N 3.24Å; A195-W197 VanDerWaalsContact C-N 3.33Å; A195-W197 PolarHBondContact O-N 3.07Å; A195-R198 WeakPolarHBondContact O-CB 3.48Å; A195-R198 PolarHBondContact O-N 2.94Å; A195-R198 VanDerWaalsContact O-N 3.15Å; A195-E199 PolarHBondContact O-N 3.47Å; A195-E199 VanDerWaalsContact O-N 3.16Å |
| 196 | R | 87.3 | Confident | 82.7 | Confident | 82 Ų | 82 | 54.6 Ų | 54.6 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.2 | -32.8 | 178.5 | -62.4 | 179.6 | 66.7 | 178.4 | 0.3 | 112.8 | L186 H187 L188 D193 R198 E199 V200 | L186-R196 PolarHBondContact O-NH2 2.91Å; H187-R196 PolarHBondContact O-NH2 3.14Å; L188-R196 HydrophobicContact CD1-CB 3.23Å; L188-R196 HydrophobicContact CD1-CG 4.43Å; D193-R196 PolarHBondContact O-N 3.11Å; D193-R196 PolarHBondContact OD1-N 2.99Å; R196-R198 VanDerWaalsContact C-N 3.31Å; R196-E199 PolarHBondContact O-N 3.37Å; R196-V200 WeakPolarHBondContact O-CB 3.47Å; R196-V200 VanDerWaalsContact O-CG2 3.27Å; R196-V200 WeakPolarHBondContact O-CG2 3.25Å; R196-V200 PolarHBondContact O-N 3.48Å; R196-V200 VanDerWaalsContact O-N 3.07Å |
| 197 | W | 90.9 | Very high | 83.4 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 5% | 0.053 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -36.2 | 171.5 | -86.8 | 110.1 | 0 | 0 | 0 | 112.6 | M153 V183 L188 D193 A195 M201 V234 V241 V318 | M153-W197 HydrophobicContact CE-CZ2 4.07Å; M153-W197 HydrophobicContact SD-CH2 3.82Å; M153-W197 HydrophobicContact SD-CZ2 3.8Å; V183-W197 HydrophobicContact CG2-CH2 4.46Å; V183-W197 HydrophobicContact CG2-CZ3 4.21Å; L188-W197 HydrophobicContact CD2-CD2 3.4Å; L188-W197 HydrophobicContact CD2-CE3 3.49Å; L188-W197 VanDerWaalsContact CD2-CE3 3.49Å; L188-W197 HydrophobicContact CD2-CG 4.09Å; L188-W197 HydrophobicContact CD2-CH2 3.57Å; L188-W197 HydrophobicContact CD2-CZ2 3.47Å; L188-W197 VanDerWaalsContact CD2-CZ2 3.47Å; L188-W197 HydrophobicContact CD2-CZ3 3.57Å; D193-W197 PolarHBondContact O-N 2.85Å; A195-W197 VanDerWaalsContact C-N 3.33Å; A195-W197 PolarHBondContact O-N 3.07Å; W197-M201 HydrophobicContact CE3-CE 4.21Å; W197-M201 HydrophobicContact CZ3-CE 4.24Å; W197-M201 WeakPolarHBondContact O-CB 3.47Å; W197-M201 VanDerWaalsContact O-CG 3.22Å; W197-M201 WeakPolarHBondContact O-CG 3.23Å; W197-M201 PolarHBondContact O-N 2.97Å; W197-V234 HydrophobicContact CH2-CG1 4Å; W197-V234 HydrophobicContact CZ3-CG1 4.46Å; W197-V241 HydrophobicContact CB-CG1 4.11Å; W197-V241 HydrophobicContact CB-CG2 4.48Å; W197-V241 HydrophobicContact CD2-CB 4.27Å; W197-V241 HydrophobicContact CD2-CG1 4.01Å; W197-V241 HydrophobicContact CD2-CG2 3.59Å; W197-V241 HydrophobicContact CE3-CB 4.33Å; W197-V241 HydrophobicContact CE3-CG1 3.91Å; W197-V241 HydrophobicContact CE3-CG2 4.12Å; W197-V241 HydrophobicContact CG-CG1 4.14Å; W197-V241 HydrophobicContact CG-CG2 3.77Å; W197-V241 HydrophobicContact CZ2-CG2 4.29Å; W197-V318 HydrophobicContact CB-CG2 3.75Å; W197-V318 HydrophobicContact CG-CG2 4.33Å |
| 198 | R | 93.2 | Very high | 84.4 | Confident | 109 Ų | 109 | 51.1 Ų | 51.1 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.8 | -52.9 | 174.1 | -66 | -168.2 | -82.8 | -82.3 | -0.5 | 111 | G194 A195 R196 V200 M201 E202 V316 | G194-R198 WeakPolarHBondContact O-CG 3.22Å; G194-R198 PolarHBondContact O-N 3.04Å; G194-R198 PolarHBondContact O-NH1 2.9Å; A195-R198 WeakPolarHBondContact O-CB 3.48Å; A195-R198 PolarHBondContact O-N 2.94Å; A195-R198 VanDerWaalsContact O-N 3.15Å; R196-R198 VanDerWaalsContact C-N 3.31Å; R198-V200 VanDerWaalsContact C-N 3.31Å; R198-V200 PolarHBondContact O-N 3.46Å; R198-M201 PolarHBondContact O-N 3.28Å; R198-M201 VanDerWaalsContact O-N 3.14Å; R198-E202 WeakPolarHBondContact O-CB 3.4Å; R198-E202 WeakPolarHBondContact O-CG 3.35Å; R198-E202 PolarHBondContact O-N 3.44Å; R198-V316 HydrophobicContact CB-CB 4.46Å; R198-V316 HydrophobicContact CG-CB 3.91Å; R198-V316 HydrophobicContact CG-CG1 3.97Å |
| 199 | E | 93.7 | Very high | 85.5 | Confident | 100 Ų | 100 | 51.7 Ų | 51.7 | 47% | 0.467 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -55.7 | -45 | 179.5 | -173.7 | -172.9 | 174.2 | 0 | 0 | 112.3 | L186 A195 R196 A203 | L186-E199 HydrophobicContact CD1-CG 3.98Å; A195-E199 PolarHBondContact O-N 3.47Å; A195-E199 VanDerWaalsContact O-N 3.16Å; R196-E199 PolarHBondContact O-N 3.37Å; E199-A203 VanDerWaalsContact O-CB 3.23Å; E199-A203 WeakPolarHBondContact O-CB 3.29Å; E199-A203 PolarHBondContact O-N 3.45Å |
| 200 | V | 94.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 178.7 | 166.2 | 0 | 0 | 0 | 0 | 112.1 | L179 E182 V183 L186 L188 R196 R198 C204 | L179-V200 HydrophobicContact CD1-CG1 3.61Å; E182-V200 HydrophobicContact CB-CG1 4.13Å; V183-V200 HydrophobicContact CG2-CG1 3.57Å; L186-V200 HydrophobicContact CB-CG2 3.82Å; L186-V200 HydrophobicContact CD1-CB 4.24Å; L186-V200 HydrophobicContact CD1-CG2 3.46Å; L186-V200 VanDerWaalsContact CD1-CG2 3.46Å; L186-V200 HydrophobicContact CG-CG2 4.24Å; L188-V200 HydrophobicContact CB-CG2 4.48Å; L188-V200 HydrophobicContact CD1-CG2 4.17Å; L188-V200 HydrophobicContact CD2-CG2 4.16Å; R196-V200 WeakPolarHBondContact O-CB 3.47Å; R196-V200 VanDerWaalsContact O-CG2 3.27Å; R196-V200 WeakPolarHBondContact O-CG2 3.25Å; R196-V200 PolarHBondContact O-N 3.48Å; R196-V200 VanDerWaalsContact O-N 3.07Å; R198-V200 VanDerWaalsContact C-N 3.31Å; R198-V200 PolarHBondContact O-N 3.46Å; V200-C204 VanDerWaalsContact O-CB 3.28Å; V200-C204 WeakPolarHBondContact O-CB 3.41Å; V200-C204 PolarHBondContact O-N 2.79Å |
| 201 | M | 96.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.5 | -43.3 | -179.6 | -73.2 | -67.6 | -170.9 | 0 | 0 | 111.5 | L179 W197 R198 C204 F205 V234 V241 A243 V316 | L179-M201 HydrophobicContact CD1-CE 4.23Å; L179-M201 HydrophobicContact CD1-SD 3.6Å; L179-M201 HydrophobicContact CD2-CE 3.87Å; L179-M201 HydrophobicContact CD2-SD 3.97Å; L179-M201 HydrophobicContact CG-SD 4.46Å; W197-M201 HydrophobicContact CE3-CE 4.21Å; W197-M201 HydrophobicContact CZ3-CE 4.24Å; W197-M201 WeakPolarHBondContact O-CB 3.47Å; W197-M201 VanDerWaalsContact O-CG 3.22Å; W197-M201 WeakPolarHBondContact O-CG 3.23Å; W197-M201 PolarHBondContact O-N 2.97Å; R198-M201 PolarHBondContact O-N 3.28Å; R198-M201 VanDerWaalsContact O-N 3.14Å; M201-C204 WeakPolarHBondContact O-CB 3.48Å; M201-C204 PolarHBondContact O-N 2.65Å; M201-F205 VanDerWaalsContact O-CD2 3.23Å; M201-F205 WeakPolarHBondContact O-CD2 3.44Å; M201-F205 PolarHBondContact O-N 2.85Å; M201-V234 HydrophobicContact CE-CB 4.4Å; M201-V234 HydrophobicContact CE-CG2 3.75Å; M201-V241 HydrophobicContact CE-CB 4.39Å; M201-V241 HydrophobicContact CE-CG1 3.71Å; M201-V241 HydrophobicContact CG-CG1 4.44Å; M201-A243 HydrophobicContact CB-CB 4.05Å; M201-A243 HydrophobicContact CE-CB 4.47Å; M201-A243 HydrophobicContact CG-CB 3.97Å; M201-A243 HydrophobicContact SD-CB 3.76Å; M201-V316 HydrophobicContact CB-CG1 4.29Å; M201-V316 HydrophobicContact CB-CG2 3.54Å; M201-V316 HydrophobicContact CG-CG1 4.12Å; M201-V316 HydrophobicContact CG-CG2 4.19Å |
| 202 | E | 97.4 | Very high | 91 | Very high | 75 Ų | 75 | 40.8 Ų | 40.8 | 35% | 0.35 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.6 | -46.8 | 175.3 | -72.3 | 163.8 | -163.5 | 0 | 0 | 111.1 | R198 C204 F205 A206 P314 | R198-E202 WeakPolarHBondContact O-CB 3.4Å; R198-E202 WeakPolarHBondContact O-CG 3.35Å; R198-E202 PolarHBondContact O-N 3.44Å; E202-C204 VanDerWaalsContact C-N 3.32Å; E202-C204 PolarHBondContact O-N 3.24Å; E202-F205 PolarHBondContact O-N 2.91Å; E202-A206 VanDerWaalsContact O-CB 3.29Å; E202-A206 WeakPolarHBondContact O-CB 3.23Å; E202-A206 PolarHBondContact O-N 2.98Å; E202-P314 HydrophobicContact CG-CG 4.28Å |
| 203 | A | 97.3 | Very high | 92.6 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E182 E199 R207 | E182-A203 HydrophobicContact CG-CB 4.27Å; E199-A203 VanDerWaalsContact O-CB 3.23Å; E199-A203 WeakPolarHBondContact O-CB 3.29Å; E199-A203 PolarHBondContact O-N 3.45Å; A203-R207 VanDerWaalsContact O-CB 3.26Å; A203-R207 WeakPolarHBondContact O-CB 3.33Å; A203-R207 PolarHBondContact O-N 3.08Å |
| 204 | C | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -50.7 | 177 | 176 | 0 | 0 | 0 | 0 | 111.7 | L175 V178 L179 E182 V200 M201 E202 R207 V208 | L175-C204 PolarHBondContact O-SG 2.93Å; V178-C204 HydrophobicContact CG1-CB 4.44Å; L179-C204 HydrophobicContact CB-CB 4.4Å; L179-C204 HydrophobicContact CD1-CB 3.94Å; L179-C204 PolarHBondContact N-SG 3.46Å; E182-C204 HydrophobicContact CG-CB 4.21Å; V200-C204 VanDerWaalsContact O-CB 3.28Å; V200-C204 WeakPolarHBondContact O-CB 3.41Å; V200-C204 PolarHBondContact O-N 2.79Å; M201-C204 WeakPolarHBondContact O-CB 3.48Å; M201-C204 PolarHBondContact O-N 2.65Å; E202-C204 VanDerWaalsContact C-N 3.32Å; E202-C204 PolarHBondContact O-N 3.24Å; C204-R207 PolarHBondContact O-N 3.04Å; C204-V208 WeakPolarHBondContact O-CG2 3.43Å; C204-V208 PolarHBondContact O-N 3.3Å |
| 205 | F | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | -178.8 | -85.1 | -123.4 | 0 | 0 | 0 | 111.1 | L175 M201 E202 R207 V208 D209 A230 V232 A243 C245 I301 P314 | L175-F205 HydrophobicContact CD1-CD2 4.45Å; L175-F205 HydrophobicContact CD1-CE2 4.07Å; L175-F205 HydrophobicContact CD1-CZ 4.15Å; L175-F205 HydrophobicContact CD2-CE2 4.17Å; M201-F205 VanDerWaalsContact O-CD2 3.23Å; M201-F205 WeakPolarHBondContact O-CD2 3.44Å; M201-F205 PolarHBondContact O-N 2.85Å; E202-F205 PolarHBondContact O-N 2.91Å; F205-R207 VanDerWaalsContact C-N 3.3Å; F205-R207 PolarHBondContact O-N 3.38Å; F205-V208 PolarHBondContact O-N 2.89Å; F205-D209 WeakPolarHBondContact O-CB 3.47Å; F205-D209 PolarHBondContact O-N 3.43Å; F205-A230 HydrophobicContact CE1-CB 3.74Å; F205-A230 HydrophobicContact CZ-CB 4.07Å; F205-V232 HydrophobicContact CE2-CG2 4.24Å; F205-V232 HydrophobicContact CZ-CG2 3.97Å; F205-A243 HydrophobicContact CE2-CB 3.76Å; F205-A243 HydrophobicContact CZ-CB 3.85Å; F205-C245 HydrophobicContact CD1-CB 3.73Å; F205-C245 HydrophobicContact CE1-CB 3.5Å; F205-I301 HydrophobicContact CD1-CD1 4.12Å; F205-I301 HydrophobicContact CD1-CG1 4.44Å; F205-I301 HydrophobicContact CE1-CD1 4.44Å; F205-P314 HydrophobicContact CB-CG 3.9Å; F205-P314 HydrophobicContact CD1-CB 3.71Å; F205-P314 HydrophobicContact CD1-CG 3.87Å; F205-P314 HydrophobicContact CD2-CB 4.36Å; F205-P314 HydrophobicContact CD2-CG 4Å; F205-P314 HydrophobicContact CE1-CB 3.79Å; F205-P314 HydrophobicContact CE1-CG 4.37Å; F205-P314 HydrophobicContact CE2-CB 4.43Å; F205-P314 HydrophobicContact CE2-CG 4.49Å; F205-P314 HydrophobicContact CG-CB 4Å; F205-P314 HydrophobicContact CG-CG 3.66Å; F205-P314 HydrophobicContact CZ-CB 4.16Å |
| 206 | A | 98.1 | Very high | 93.4 | Very high | 62 Ų | 62 | 41.8 Ų | 41.8 | 51% | 0.512 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E202 G210 | E202-A206 VanDerWaalsContact O-CB 3.29Å; E202-A206 WeakPolarHBondContact O-CB 3.23Å; E202-A206 PolarHBondContact O-N 2.98Å; A206-G210 PolarHBondContact O-N 2.88Å |
| 207 | R | 97.9 | Very high | 92.9 | Very high | 83 Ų | 83 | 39.5 Ų | 39.5 | 31% | 0.313 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.9 | -42 | 178 | -179 | 171.6 | 160.6 | -155.5 | -6.4 | 112.4 | V178 E181 E182 A203 C204 F205 G210 E211 | V178-R207 HydrophobicContact CG1-CB 3.99Å; V178-R207 HydrophobicContact CG1-CG 3.96Å; E181-R207 IonicContact OE2-CZ 3.87Å; E181-R207 IonicContact OE2-NH1 2.66Å; E181-R207 PolarHBondContact OE2-NH1 2.79Å; E181-R207 IonicContact OE2-NH2 3.06Å; E181-R207 PolarHBondContact OE2-NH2 3.22Å; E182-R207 IonicContact OE1-NH1 2.97Å; E182-R207 PolarHBondContact OE1-NH1 2.78Å; A203-R207 VanDerWaalsContact O-CB 3.26Å; A203-R207 WeakPolarHBondContact O-CB 3.33Å; A203-R207 PolarHBondContact O-N 3.08Å; C204-R207 PolarHBondContact O-N 3.04Å; F205-R207 VanDerWaalsContact C-N 3.3Å; F205-R207 PolarHBondContact O-N 3.38Å; R207-G210 PolarHBondContact O-N 2.87Å; R207-G210 VanDerWaalsContact O-N 3.17Å; R207-E211 IonicContact CZ-OE1 3.46Å; R207-E211 IonicContact NE-OE1 3.34Å; R207-E211 PolarHBondContact NE-OE1 2.84Å; R207-E211 VanDerWaalsContact NE-OE1 3.16Å; R207-E211 IonicContact NH2-OE1 3.67Å; R207-E211 PolarHBondContact NH2-OE1 3.46Å; R207-E211 WeakPolarHBondContact O-CG 3.17Å; R207-E211 PolarHBondContact O-N 2.93Å |
| 208 | V | 97.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 175 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | L175 V178 C204 F205 G210 E211 V212 I301 | L175-V208 HydrophobicContact CB-CG2 4.3Å; L175-V208 HydrophobicContact CG-CG2 4.24Å; V178-V208 HydrophobicContact CB-CG2 3.93Å; V178-V208 HydrophobicContact CG1-CG2 4.13Å; V178-V208 HydrophobicContact CG2-CG2 3.94Å; C204-V208 WeakPolarHBondContact O-CG2 3.43Å; C204-V208 PolarHBondContact O-N 3.3Å; F205-V208 PolarHBondContact O-N 2.89Å; V208-G210 VanDerWaalsContact C-N 3.3Å; V208-G210 PolarHBondContact O-N 2.86Å; V208-E211 PolarHBondContact O-N 3.12Å; V208-V212 HydrophobicContact CG1-CG2 4.41Å; V208-V212 WeakPolarHBondContact O-CG2 3.35Å; V208-V212 PolarHBondContact O-N 3.34Å; V208-I301 HydrophobicContact CG1-CD1 4.3Å; V208-I301 HydrophobicContact CG1-CG2 4.43Å |
| 209 | D | 97.5 | Very high | 91.2 | Very high | 20 Ų | 20 | 45.3 Ų | 45.3 | 11% | 0.107 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.6 | -38.7 | 171.6 | -171.4 | 74.5 | 0 | 0 | 0 | 111.1 | F205 A213 I301 G302 Y304 K307 A312 | F205-D209 WeakPolarHBondContact O-CB 3.47Å; F205-D209 PolarHBondContact O-N 3.43Å; D209-A213 PolarHBondContact O-N 2.5Å; D209-A213 VanDerWaalsContact O-N 3.08Å; D209-I301 HydrophobicContact CB-CG2 4.25Å; D209-G302 PolarHBondContact OD1-N 2.87Å; D209-Y304 PolarHBondContact O-OH 3.08Å; D209-Y304 PolarHBondContact OD1-OH 3.38Å; D209-K307 IonicContact OD1-NZ 3.21Å; D209-K307 PolarHBondContact OD1-NZ 3.5Å; D209-K307 IonicContact OD2-NZ 3.04Å; D209-K307 PolarHBondContact OD2-NZ 2.96Å; D209-A312 HydrophobicContact CB-CB 3.74Å; D209-A312 VanDerWaalsContact CG-CB 3.42Å; D209-A312 WeakPolarHBondContact OD1-CB 3.26Å |
| 210 | G | 95.9 | Very high | 89.6 | Confident | 37 Ų | 37 | 41.6 Ų | 41.6 | 38% | 0.381 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A206 R207 V208 A213 V214 | A206-G210 PolarHBondContact O-N 2.88Å; R207-G210 PolarHBondContact O-N 2.87Å; R207-G210 VanDerWaalsContact O-N 3.17Å; V208-G210 VanDerWaalsContact C-N 3.3Å; V208-G210 PolarHBondContact O-N 2.86Å; G210-A213 WeakPolarHBondContact O-CB 3.41Å; G210-A213 PolarHBondContact O-N 2.97Å; G210-V214 PolarHBondContact O-N 3.31Å |
| 211 | E | 94.7 | Very high | 88 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 27% | 0.266 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 178.6 | -72.6 | -179.6 | -165.2 | 0 | 0 | 111.3 | R174 R207 V208 A213 V214 V215 | R174-E211 IonicContact CZ-OE2 2.69Å; R174-E211 IonicContact NE-OE2 3.39Å; R174-E211 PolarHBondContact NE-OE2 2.92Å; R174-E211 IonicContact NH2-OE1 3.75Å; R174-E211 PolarHBondContact NH2-OE1 3.27Å; R174-E211 IonicContact NH2-OE2 3.16Å; R174-E211 PolarHBondContact NH2-OE2 2.66Å; R207-E211 IonicContact CZ-OE1 3.46Å; R207-E211 IonicContact NE-OE1 3.34Å; R207-E211 PolarHBondContact NE-OE1 2.84Å; R207-E211 VanDerWaalsContact NE-OE1 3.16Å; R207-E211 IonicContact NH2-OE1 3.67Å; R207-E211 PolarHBondContact NH2-OE1 3.46Å; R207-E211 WeakPolarHBondContact O-CG 3.17Å; R207-E211 PolarHBondContact O-N 2.93Å; V208-E211 PolarHBondContact O-N 3.12Å; E211-A213 VanDerWaalsContact C-N 3.34Å; E211-A213 PolarHBondContact O-N 3.43Å; E211-V214 PolarHBondContact O-N 2.86Å; E211-V215 PolarHBondContact O-N 3.01Å |
| 212 | V | 93.1 | Very high | 85.9 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.8 | -36.2 | 176.8 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | V167 A170 V208 V214 V215 E216 I301 Y304 | V167-V212 HydrophobicContact CB-CG1 4.43Å; V167-V212 HydrophobicContact CG1-CG1 4.08Å; V167-V212 HydrophobicContact CG1-CG2 4.43Å; V167-V212 HydrophobicContact CG2-CG1 3.7Å; A170-V212 HydrophobicContact CB-CG2 3.99Å; V208-V212 HydrophobicContact CG1-CG2 4.41Å; V208-V212 WeakPolarHBondContact O-CG2 3.35Å; V208-V212 PolarHBondContact O-N 3.34Å; V212-V214 VanDerWaalsContact C-N 3.28Å; V212-V214 PolarHBondContact O-N 2.9Å; V212-V215 PolarHBondContact O-N 3.03Å; V212-E216 HydrophobicContact CG1-CG 4.05Å; V212-E216 WeakPolarHBondContact O-CB 3.41Å; V212-E216 PolarHBondContact O-N 3.34Å; V212-I301 HydrophobicContact CG2-CG2 4.3Å; V212-Y304 HydrophobicContact CG1-CE2 4.25Å |
| 213 | A | 91.4 | Very high | 84.1 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 25% | 0.248 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.7 | -41.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | D209 G210 E211 G217 Y304 | D209-A213 PolarHBondContact O-N 2.5Å; D209-A213 VanDerWaalsContact O-N 3.08Å; G210-A213 WeakPolarHBondContact O-CB 3.41Å; G210-A213 PolarHBondContact O-N 2.97Å; E211-A213 VanDerWaalsContact C-N 3.34Å; E211-A213 PolarHBondContact O-N 3.43Å; A213-G217 PolarHBondContact O-N 2.96Å; A213-Y304 WeakPolarHBondContact CA-OH 3.42Å; A213-Y304 HydrophobicContact CB-CD1 4.03Å; A213-Y304 HydrophobicContact CB-CE1 3.32Å; A213-Y304 HydrophobicContact CB-CE2 3.95Å; A213-Y304 WeakPolarHBondContact CB-OH 3.18Å; A213-Y304 PolarHBondContact N-OH 3.47Å |
| 214 | V | 87.3 | Confident | 83.3 | Confident | 89 Ų | 89 | 53.2 Ų | 53.2 | 54% | 0.539 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.6 | -50.1 | 178.7 | 178.2 | 0 | 0 | 0 | 0 | 109.9 | G210 E211 V212 G217 E218 | G210-V214 PolarHBondContact O-N 3.31Å; E211-V214 PolarHBondContact O-N 2.86Å; V212-V214 VanDerWaalsContact C-N 3.28Å; V212-V214 PolarHBondContact O-N 2.9Å; V214-G217 PolarHBondContact O-N 3.25Å; V214-E218 WeakPolarHBondContact O-CG 3.42Å; V214-E218 PolarHBondContact O-N 2.81Å; V214-E218 VanDerWaalsContact O-N 3.12Å |
| 215 | V | 81.8 | Confident | 83 | Confident | 81 Ų | 81 | 56.1 Ų | 56.1 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | -178.4 | 177.5 | 0 | 0 | 0 | 0 | 111.7 | E211 V212 G217 E218 V219 | E211-V215 PolarHBondContact O-N 3.01Å; V212-V215 PolarHBondContact O-N 3.03Å; V215-G217 VanDerWaalsContact C-N 3.32Å; V215-G217 PolarHBondContact O-N 2.85Å; V215-E218 PolarHBondContact O-N 2.81Å; V215-V219 HydrophobicContact CG1-CG2 4.37Å; V215-V219 WeakPolarHBondContact O-CG2 3.36Å; V215-V219 PolarHBondContact O-N 2.83Å; V215-V219 VanDerWaalsContact O-N 3.09Å |
| 216 | E | 78.2 | Confident | 82.8 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.019 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.7 | -35.3 | 178.8 | -79.9 | -66.3 | 117.4 | 0 | 0 | 112 | R166 V167 V212 E218 N220 | R166-E216 IonicContact NH1-OE1 3.46Å; V167-E216 HydrophobicContact CG2-CG 4.47Å; V212-E216 HydrophobicContact CG1-CG 4.05Å; V212-E216 WeakPolarHBondContact O-CB 3.41Å; V212-E216 PolarHBondContact O-N 3.34Å; E216-E218 VanDerWaalsContact C-N 3.34Å; E216-E218 PolarHBondContact O-N 2.9Å; E216-N220 WeakPolarHBondContact O-CB 3.4Å; E216-N220 PolarHBondContact O-N 2.74Å; E216-N220 PolarHBondContact OE2-ND2 2.83Å |
| 217 | G | 75.6 | Confident | 82.8 | Confident | 33 Ų | 33 | 53.3 Ų | 53.3 | 34% | 0.34 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.3 | -31.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A213 V214 V215 H224 | A213-G217 PolarHBondContact O-N 2.96Å; V214-G217 PolarHBondContact O-N 3.25Å; V215-G217 VanDerWaalsContact C-N 3.32Å; V215-G217 PolarHBondContact O-N 2.85Å; G217-H224 WeakPolarHBondContact CA-CE1 3.48Å |
| 218 | E | 77.1 | Confident | 82.8 | Confident | 154 Ų | 154 | 49.4 Ų | 49.4 | 72% | 0.72 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -79.6 | -36.9 | 178 | -71.4 | 179.1 | 169.2 | 0 | 0 | 112.8 | V214 V215 E216 | V214-E218 WeakPolarHBondContact O-CG 3.42Å; V214-E218 PolarHBondContact O-N 2.81Å; V214-E218 VanDerWaalsContact O-N 3.12Å; V215-E218 PolarHBondContact O-N 2.81Å; E216-E218 VanDerWaalsContact C-N 3.34Å; E216-E218 PolarHBondContact O-N 2.9Å |
| 219 | V | 71.3 | Confident | 82.8 | Confident | 92 Ų | 92 | 49.4 Ų | 49.4 | 56% | 0.558 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -91.4 | -35.7 | -173.3 | -175 | 0 | 0 | 0 | 0 | 112.3 | V215 | V215-V219 HydrophobicContact CG1-CG2 4.37Å; V215-V219 WeakPolarHBondContact O-CG2 3.36Å; V215-V219 PolarHBondContact O-N 2.83Å; V215-V219 VanDerWaalsContact O-N 3.09Å |
| 220 | N | 62 | Low | 82.9 | Confident | 21 Ų | 21 | 48.4 Ų | 48.4 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | trans | -115 | 95.6 | -174.7 | -74.7 | -23.2 | 0 | 0 | 0 | 111.2 | R166 E216 A222 | R166-N220 VanDerWaalsContact CZ-OD1 3.3Å; R166-N220 PolarHBondContact NH1-ND2 3.25Å; R166-N220 PolarHBondContact NH1-OD1 3.27Å; R166-N220 PolarHBondContact NH2-ND2 3.09Å; R166-N220 PolarHBondContact NH2-OD1 3.5Å; E216-N220 WeakPolarHBondContact O-CB 3.4Å; E216-N220 PolarHBondContact O-N 2.74Å; E216-N220 PolarHBondContact OE2-ND2 2.83Å; N220-A222 PolarHBondContact O-N 3.05Å; N220-A222 VanDerWaalsContact O-N 3.09Å | ||
| 221 | N | 59.5 | Low | 83.1 | Confident | 173 Ų | 173 | 46.7 Ų | 46.7 | 93% | 0.925 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -18 | 154 | -77.8 | -14.3 | 0 | 0 | 0 | 111.4 | G223 | N221-G223 PolarHBondContact O-N 3.44Š|
| 222 | A | 53.7 | Low | 83.2 | Confident | 71 Ų | 71 | 44 Ų | 44 | 59% | 0.587 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 69.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N220 H224 | N220-A222 PolarHBondContact O-N 3.05Å; N220-A222 VanDerWaalsContact O-N 3.09Å; A222-H224 PolarHBondContact O-N 2.88Å |
| 223 | G | 59 | Low | 83.5 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 38% | 0.381 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 6.3 | 142 | 0 | 0 | 0 | 0 | 0 | 119.6 | N221 T225 Y305 | N221-G223 PolarHBondContact O-N 3.44Å; G223-T225 VanDerWaalsContact O-CG2 3.22Å; G223-T225 WeakPolarHBondContact O-CG2 3.34Å; G223-T225 PolarHBondContact O-N 3.31Å; G223-Y305 WeakPolarHBondContact O-CB 3.48Å |
| 224 | H | 79.8 | Confident | 83.7 | Confident | 65 Ų | 65 | 42.2 Ų | 42.2 | 30% | 0.301 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 36.1 | 175.8 | -63.7 | -86.6 | 0 | 0 | 0 | 114 | G217 A222 Y304 Y305 | G217-H224 WeakPolarHBondContact CA-CE1 3.48Å; A222-H224 PolarHBondContact O-N 2.88Å; H224-Y304 HydrophobicContact CB-CD2 4.12Å; H224-Y304 AromaticContact ND1-CD2 3.9Å; H224-Y304 PolarHBondContact O-N 3.48Å; H224-Y305 VanDerWaalsContact O-CD1 3.25Å; H224-Y305 WeakPolarHBondContact O-CD1 3.42Å |
| 225 | T | 92.1 | Very high | 84.1 | Confident | 60 Ų | 60 | 38 Ų | 38 | 37% | 0.368 | 23% | 0.231 | S | C | . | . | trans | -92.4 | 1.5 | -170.6 | 63.3 | 0 | 0 | 0 | 0 | 114.7 | G223 Y305 | G223-T225 VanDerWaalsContact O-CG2 3.22Å; G223-T225 WeakPolarHBondContact O-CG2 3.34Å; G223-T225 PolarHBondContact O-N 3.31Å; T225-Y305 HydrophobicContact CG2-CD1 4.13Å; T225-Y305 HydrophobicContact CG2-CD2 4.36Å; T225-Y305 HydrophobicContact CG2-CE1 4.2Å; T225-Y305 HydrophobicContact CG2-CE2 4.42Å; T225-Y305 HydrophobicContact CG2-CG 4.19Å | ||
| 226 | V | 95 | Very high | 84.6 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.024 | 21% | 0.211 | C | C | . | . | trans | -91.7 | 137.4 | 179.5 | -165 | 0 | 0 | 0 | 0 | 108.7 | G164 V167 D303 | G164-V226 WeakPolarHBondContact O-CG1 3.2Å; V167-V226 HydrophobicContact CB-CG1 4.36Å; V167-V226 HydrophobicContact CG2-CB 4Å; V167-V226 HydrophobicContact CG2-CG1 3.76Å; V226-D303 PolarHBondContact O-N 2.89Å | ||
| 227 | G | 97.3 | Very high | 85 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | H162 I301 D303 | H162-G227 PolarHBondContact N-O 3.4Å; H162-G227 WeakPolarHBondContact NE2-CA 3.33Å; H162-G227 PolarHBondContact O-N 3.23Å; G227-I301 CarbonylContact C-O 3.59Å; G227-I301 WeakPolarHBondContact CA-O 3.21Å; G227-D303 WeakPolarHBondContact CA-OD2 3.47Å |
| 228 | S | 98.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 143.9 | 172.5 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | D160 A168 S300 I301 | D160-S228 VanDerWaalsContact C-OG 3.27Å; D160-S228 CarbonylContact O-C 3.58Å; D160-S228 WeakPolarHBondContact O-CA 3.43Å; D160-S228 PolarHBondContact O-OG 2.87Å; A168-S228 WeakPolarHBondContact CB-OG 3.35Å; S228-S300 WeakPolarHBondContact O-CB 3.49Å; S228-I301 PolarHBondContact N-O 3.3Å; S228-I301 PolarHBondContact O-N 3.21Å |
| 229 | T | 98.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | trans | -69.8 | 160.2 | 162.2 | 77.9 | 0 | 0 | 0 | 0 | 110.2 | Y159 D160 C245 D247 S248 | Y159-T229 VanDerWaalsContact CA-O 3.3Å; Y159-T229 WeakPolarHBondContact CA-O 3.23Å; D160-T229 HydrophobicContact CB-CG2 4.12Å; D160-T229 WeakPolarHBondContact CB-OG1 3.32Å; D160-T229 PolarHBondContact N-OG1 3.49Å; D160-T229 PolarHBondContact O-N 3.1Å; T229-C245 CarbonylContact C-O 3.55Å; T229-C245 WeakPolarHBondContact CA-O 3.27Å; T229-D247 VanDerWaalsContact CG2-OD1 3.3Å; T229-D247 WeakPolarHBondContact CG2-OD1 3.15Å; T229-S248 PolarHBondContact OG1-OG 2.84Å | ||
| 230 | A | 98.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 116 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y159 L175 F205 N244 C245 I301 | Y159-A230 HydrophobicContact CD1-CB 3.76Å; Y159-A230 HydrophobicContact CE1-CB 4.03Å; L175-A230 HydrophobicContact CD1-CB 4.21Å; F205-A230 HydrophobicContact CE1-CB 3.74Å; F205-A230 HydrophobicContact CZ-CB 4.07Å; A230-N244 CarbonylContact O-C 3.43Å; A230-N244 WeakPolarHBondContact O-CA 3.41Å; A230-C245 PolarHBondContact N-O 3.25Å; A230-C245 PolarHBondContact O-N 2.84Å; A230-I301 HydrophobicContact CB-CD1 3.98Å |
| 231 | V | 98.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 121.8 | 164.7 | 67.9 | 0 | 0 | 0 | 0 | 109.2 | A157 V158 V242 N244 A250 L330 | A157-V231 WeakPolarHBondContact CA-O 3.44Å; A157-V231 WeakPolarHBondContact CB-O 3.3Å; V158-V231 HydrophobicContact CB-CG1 3.91Å; V158-V231 PolarHBondContact N-O 2.85Å; V158-V231 PolarHBondContact O-N 3Å; V231-V242 HydrophobicContact CG2-CG1 4.27Å; V231-N244 HydrophobicContact CG2-CB 4.48Å; V231-A250 HydrophobicContact CG2-CB 3.74Å; V231-L330 HydrophobicContact CG1-CB 4.31Å; V231-L330 HydrophobicContact CG1-CD2 4.31Å |
| 232 | V | 98.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 137.8 | -173.8 | 175.5 | 0 | 0 | 0 | 0 | 108.8 | F155 F156 A157 Y159 L175 F205 V242 A243 | F155-V232 HydrophobicContact CD2-CG1 3.9Å; F155-V232 HydrophobicContact CE2-CB 4.47Å; F155-V232 HydrophobicContact CE2-CG1 3.27Å; F155-V232 HydrophobicContact CE2-CG2 4.41Å; F155-V232 HydrophobicContact CZ-CG1 3.67Å; F155-V232 HydrophobicContact CZ-CG2 4.12Å; F156-V232 CarbonylContact O-C 3.52Å; F156-V232 WeakPolarHBondContact O-CA 3.42Å; A157-V232 HydrophobicContact CB-CB 4.5Å; A157-V232 HydrophobicContact CB-CG2 3.93Å; Y159-V232 HydrophobicContact CE1-CG2 4.45Å; L175-V232 HydrophobicContact CD1-CG2 4.1Å; L175-V232 HydrophobicContact CD2-CG2 3.79Å; F205-V232 HydrophobicContact CE2-CG2 4.24Å; F205-V232 HydrophobicContact CZ-CG2 3.97Å; V232-V242 CarbonylContact O-C 3.53Å; V232-V242 WeakPolarHBondContact O-CA 3.18Å; V232-A243 PolarHBondContact N-O 2.92Å; V232-A243 PolarHBondContact O-N 3.42Å |
| 233 | A | 98.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 124 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | F156 V241 V242 L330 | F156-A233 PolarHBondContact N-O 2.83Å; F156-A233 PolarHBondContact O-N 2.73Å; A233-V241 CarbonylContact C-O 3.56Å; A233-V241 WeakPolarHBondContact CA-O 3.48Å; A233-V242 HydrophobicContact CB-CG2 4.09Å; A233-L330 HydrophobicContact CB-CD1 4.12Å; A233-L330 HydrophobicContact CB-CD2 3.95Å; A233-L330 HydrophobicContact CB-CG 4.45Å |
| 234 | V | 96.3 | Very high | 95 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.5 | 167.3 | 177.8 | 0 | 0 | 0 | 0 | 108.6 | F134 M153 E154 F155 L179 W197 M201 V241 | F134-V234 HydrophobicContact CD1-CG1 4.26Å; F134-V234 HydrophobicContact CD1-CG2 4.36Å; F134-V234 HydrophobicContact CE1-CG1 4.43Å; F134-V234 HydrophobicContact CE1-CG2 4.12Å; M153-V234 HydrophobicContact CB-CG1 4.01Å; M153-V234 HydrophobicContact SD-CG1 4.04Å; E154-V234 CarbonylContact O-C 3.56Å; E154-V234 WeakPolarHBondContact O-CA 3.38Å; F155-V234 HydrophobicContact CD2-CG2 4.12Å; L179-V234 HydrophobicContact CD2-CG2 3.78Å; W197-V234 HydrophobicContact CH2-CG1 4Å; W197-V234 HydrophobicContact CZ3-CG1 4.46Å; M201-V234 HydrophobicContact CE-CB 4.4Å; M201-V234 HydrophobicContact CE-CG2 3.75Å; V234-V241 HydrophobicContact CB-CB 4.38Å; V234-V241 PolarHBondContact N-O 2.88Å; V234-V241 PolarHBondContact O-N 2.8Å |
| 235 | V | 95.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.006 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 109.7 | -178.7 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | P109 M153 E154 F156 I240 I328 L396 | P109-V235 HydrophobicContact CG-CB 4.22Å; P109-V235 HydrophobicContact CG-CG1 3.79Å; M153-V235 WeakPolarHBondContact CA-O 3.34Å; E154-V235 PolarHBondContact N-O 2.71Å; E154-V235 PolarHBondContact O-N 2.6Å; F156-V235 HydrophobicContact CD2-CG2 4.18Å; F156-V235 HydrophobicContact CE2-CG2 4.12Å; V235-I240 HydrophobicContact CG1-CG1 4.4Å; V235-I328 HydrophobicContact CG2-CD1 3.69Å; V235-L396 HydrophobicContact CG1-CD2 3.82Å |
| 236 | G | 91.1 | Very high | 96.2 | Very high | 8 Ų | 8 | 11.2 Ų | 11.2 | 8% | 0.082 | 5% | 0.053 | C | C | . | . | trans | -107.2 | -177.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R238 H239 R321 | G236-R238 PolarHBondContact O-N 2.89Å; G236-H239 PolarHBondContact N-O 2.7Å; G236-R321 WeakPolarHBondContact O-CD 3.42Å; G236-R321 PolarHBondContact O-NH1 2.93Å | ||
| 237 | P | 88.2 | Confident | 96.4 | Very high | 34 Ų | 34 | 11.4 Ų | 11.4 | 22% | 0.221 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -68.4 | -31 | 179.5 | 24.3 | -33 | 0 | 0 | 0 | 113.2 | W106 A151 | W106-P237 WeakPolarHBondContact CA-O 3.37Å; W106-P237 VanDerWaalsContact CB-O 3.27Å; W106-P237 WeakPolarHBondContact CB-O 3.36Å; W106-P237 VanDerWaalsContact CD1-O 3.24Å; W106-P237 PolarHBondContact N-O 3.07Å; W106-P237 WeakPolarHBondContact O-CA 3.33Å; A151-P237 HydrophobicContact CB-CG 3.91Å |
| 238 | R | 87.4 | Confident | 96.4 | Very high | 120 Ų | 120 | 11.4 Ų | 11.4 | 45% | 0.453 | 5% | 0.054 | S | C | . | . | S | Bend | trans | -105.1 | -35.2 | -178.6 | -67 | -173.6 | 179.9 | 160.9 | 6.2 | 113.7 | G236 R321 | G236-R238 PolarHBondContact O-N 2.89Å; R238-R321 WeakPolarHBondContact O-CB 3.35Å; R238-R321 PolarHBondContact O-N 2.81Å |
| 239 | H | 91.9 | Very high | 96.5 | Very high | 64 Ų | 64 | 13.4 Ų | 13.4 | 30% | 0.296 | 6% | 0.061 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 151.1 | -171.3 | -58.6 | 101.3 | 0 | 0 | 0 | 112.1 | G236 V241 V318 T319 | G236-H239 PolarHBondContact N-O 2.7Å; H239-V241 HydrophobicContact CB-CG2 4.39Å; H239-V318 HydrophobicContact CB-CG1 4.18Å; H239-T319 CarbonylContact C-O 3.51Å; H239-T319 VanDerWaalsContact CA-O 3.27Å; H239-T319 WeakPolarHBondContact CA-O 3.48Å |
| 240 | I | 95.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 119.9 | 159.8 | -62.2 | 157.8 | 0 | 0 | 0 | 105.9 | V235 V242 L252 L261 T319 R321 I328 L396 | V235-I240 HydrophobicContact CG1-CG1 4.4Å; I240-V242 HydrophobicContact CG2-CG2 4.17Å; I240-L252 HydrophobicContact CD1-CD1 4.12Å; I240-L252 HydrophobicContact CD1-CD2 4.38Å; I240-L261 HydrophobicContact CG2-CD1 3.76Å; I240-T319 PolarHBondContact N-O 3.5Å; I240-T319 PolarHBondContact O-N 3.4Å; I240-R321 HydrophobicContact CD1-CG 3.93Å; I240-R321 HydrophobicContact CG1-CG 3.73Å; I240-I328 HydrophobicContact CD1-CD1 3.93Å; I240-I328 HydrophobicContact CD1-CG1 4.43Å; I240-I328 HydrophobicContact CG1-CD1 4.09Å; I240-I328 HydrophobicContact CG2-CD1 3.74Å; I240-L396 HydrophobicContact CD1-CD1 3.9Å |
| 241 | V | 96.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.006 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.5 | 177.9 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | W197 M201 A233 V234 H239 V316 T317 V318 | W197-V241 HydrophobicContact CB-CG1 4.11Å; W197-V241 HydrophobicContact CB-CG2 4.48Å; W197-V241 HydrophobicContact CD2-CB 4.27Å; W197-V241 HydrophobicContact CD2-CG1 4.01Å; W197-V241 HydrophobicContact CD2-CG2 3.59Å; W197-V241 HydrophobicContact CE3-CB 4.33Å; W197-V241 HydrophobicContact CE3-CG1 3.91Å; W197-V241 HydrophobicContact CE3-CG2 4.12Å; W197-V241 HydrophobicContact CG-CG1 4.14Å; W197-V241 HydrophobicContact CG-CG2 3.77Å; W197-V241 HydrophobicContact CZ2-CG2 4.29Å; M201-V241 HydrophobicContact CE-CB 4.39Å; M201-V241 HydrophobicContact CE-CG1 3.71Å; M201-V241 HydrophobicContact CG-CG1 4.44Å; A233-V241 CarbonylContact C-O 3.56Å; A233-V241 WeakPolarHBondContact CA-O 3.48Å; V234-V241 HydrophobicContact CB-CB 4.38Å; V234-V241 PolarHBondContact N-O 2.88Å; V234-V241 PolarHBondContact O-N 2.8Å; H239-V241 HydrophobicContact CB-CG2 4.39Å; V241-V316 HydrophobicContact CG1-CG1 4.12Å; V241-T317 CarbonylContact C-O 3.53Å; V241-T317 WeakPolarHBondContact CA-O 3.49Å; V241-V318 HydrophobicContact CG1-CG2 4.17Å; V241-V318 HydrophobicContact CG2-CG1 4.27Å; V241-V318 HydrophobicContact CG2-CG2 4.29Å |
| 242 | V | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.006 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 130.7 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 109.2 | V231 V232 A233 I240 A250 L261 V316 T317 | V231-V242 HydrophobicContact CG2-CG1 4.27Å; V232-V242 CarbonylContact O-C 3.53Å; V232-V242 WeakPolarHBondContact O-CA 3.18Å; A233-V242 HydrophobicContact CB-CG2 4.09Å; I240-V242 HydrophobicContact CG2-CG2 4.17Å; V242-A250 HydrophobicContact CG1-CB 3.84Å; V242-A250 HydrophobicContact CG2-CB 4.17Å; V242-L261 HydrophobicContact CB-CB 4.1Å; V242-L261 HydrophobicContact CG1-CB 4.3Å; V242-L261 HydrophobicContact CG2-CB 3.72Å; V242-L261 HydrophobicContact CG2-CD1 3.68Å; V242-L261 HydrophobicContact CG2-CG 4.39Å; V242-V316 CarbonylContact O-C 3.5Å; V242-V316 VanDerWaalsContact O-CA 3.26Å; V242-V316 WeakPolarHBondContact O-CA 3.33Å; V242-T317 PolarHBondContact N-O 3.01Å; V242-T317 PolarHBondContact O-N 3.3Å |
| 243 | A | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 127.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | M201 F205 V232 P314 E315 V316 | M201-A243 HydrophobicContact CB-CB 4.05Å; M201-A243 HydrophobicContact CE-CB 4.47Å; M201-A243 HydrophobicContact CG-CB 3.97Å; M201-A243 HydrophobicContact SD-CB 3.76Å; F205-A243 HydrophobicContact CE2-CB 3.76Å; F205-A243 HydrophobicContact CZ-CB 3.85Å; V232-A243 PolarHBondContact N-O 2.92Å; V232-A243 PolarHBondContact O-N 3.42Å; A243-P314 HydrophobicContact CB-CB 4.22Å; A243-E315 WeakPolarHBondContact CA-O 3.41Å; A243-V316 HydrophobicContact CB-CG2 3.98Å |
| 244 | N | 98.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.7 | -179.7 | -175.5 | 61.4 | 0 | 0 | 0 | 110.9 | A230 V231 G246 S248 S262 S263 H265 P314 E315 | A230-N244 CarbonylContact O-C 3.43Å; A230-N244 WeakPolarHBondContact O-CA 3.41Å; V231-N244 HydrophobicContact CG2-CB 4.48Å; N244-G246 PolarHBondContact ND2-O 3.26Å; N244-S248 PolarHBondContact OD1-O 2.99Å; N244-S262 VanDerWaalsContact CB-CB 3.48Å; N244-S263 PolarHBondContact ND2-O 3.46Å; N244-H265 PolarHBondContact O-CE1 3.02Å; N244-P314 CarbonylContact O-C 3.58Å; N244-P314 WeakPolarHBondContact O-CA 3.48Å; N244-E315 PolarHBondContact N-O 3.48Å; N244-E315 PolarHBondContact O-N 3.48Å |
| 245 | C | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 86.9 | 169.6 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | F205 T229 A230 S300 P314 | F205-C245 HydrophobicContact CD1-CB 3.73Å; F205-C245 HydrophobicContact CE1-CB 3.5Å; T229-C245 CarbonylContact C-O 3.55Å; T229-C245 WeakPolarHBondContact CA-O 3.27Å; A230-C245 PolarHBondContact N-O 3.25Å; A230-C245 PolarHBondContact O-N 2.84Å; C245-S300 PolarHBondContact SG-N 2.92Å; C245-P314 HydrophobicContact CB-CB 4.37Å |
| 246 | G | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 138.5 | -154.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N244 H265 T297 R299 | N244-G246 PolarHBondContact ND2-O 3.26Å; G246-H265 PolarHBondContact N-ND1 3.36Å; G246-H265 VanDerWaalsContact N-ND1 3.11Å; G246-H265 PolarHBondContact O-N 3.05Å; G246-T297 WeakPolarHBondContact CA-OG1 3.2Å; G246-R299 WeakPolarHBondContact CA-O 3.36Å |
| 247 | D | 98.5 | Very high | 96.6 | Very high | 7 Ų | 7 | 23.9 Ų | 23.9 | 4% | 0.037 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -111.4 | 10.1 | -178.6 | 54.3 | -4 | 0 | 0 | 0 | 114.7 | T229 D264 K266 | T229-D247 VanDerWaalsContact CG2-OD1 3.3Å; T229-D247 WeakPolarHBondContact CG2-OD1 3.15Å; D247-D264 HydrophobicContact CB-CB 4.15Å; D247-K266 HydrophobicContact CB-CD 3.89Å; D247-K266 VanDerWaalsContact CB-CE 3.45Å; D247-K266 IonicContact OD2-NZ 3.53Å; D247-K266 PolarHBondContact OD2-NZ 3.24Å |
| 248 | S | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -62 | 157.4 | 151.3 | -72.8 | 0 | 0 | 0 | 0 | 110.6 | T229 N244 G331 | T229-S248 PolarHBondContact OG1-OG 2.84Å; N244-S248 PolarHBondContact OD1-O 2.99Å; S248-G331 WeakPolarHBondContact CA-O 3.37Å; S248-G331 WeakPolarHBondContact CB-O 3.43Å | ||
| 249 | R | 98.9 | Very high | 97.6 | Very high | 42 Ų | 42 | 20 Ų | 20 | 16% | 0.158 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 144.1 | -174 | -160.7 | -172.2 | -61.9 | 148.7 | 6.1 | 114.3 | V251 S262 D264 L330 G331 W336 N341 | R249-V251 HydrophobicContact CG-CG2 4.23Å; R249-S262 WeakPolarHBondContact CA-OG 3.33Å; R249-S262 WeakPolarHBondContact CG-OG 3.33Å; R249-D264 IonicContact CZ-OD1 2.75Å; R249-D264 IonicContact CZ-OD2 2.94Å; R249-D264 IonicContact NE-OD1 2.7Å; R249-D264 PolarHBondContact NE-OD1 3.45Å; R249-D264 IonicContact NE-OD2 3.47Å; R249-D264 IonicContact NH2-OD1 3.83Å; R249-D264 PolarHBondContact NH2-OD1 3.1Å; R249-D264 IonicContact NH2-OD2 3.49Å; R249-D264 PolarHBondContact NH2-OD2 3.02Å; R249-L330 WeakPolarHBondContact O-CA 3.46Å; R249-G331 PolarHBondContact N-O 3.02Å; R249-G331 PolarHBondContact O-N 2.97Å; R249-W336 HydrophobicContact CB-CD2 4.21Å; R249-W336 HydrophobicContact CB-CG 4.14Å; R249-W336 HydrophobicContact CB-CZ2 4.38Å; R249-W336 PolarHBondContact O-NE1 3.44Å; R249-N341 PolarHBondContact NH1-OD1 2.86Å |
| 250 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V231 V242 L261 S262 I329 L330 | V231-A250 HydrophobicContact CG2-CB 3.74Å; V242-A250 HydrophobicContact CG1-CB 3.84Å; V242-A250 HydrophobicContact CG2-CB 4.17Å; A250-L261 HydrophobicContact CB-CB 4.24Å; A250-L261 PolarHBondContact O-N 3.05Å; A250-S262 PolarHBondContact N-OG 2.94Å; A250-I329 CarbonylContact C-O 3.42Å; A250-I329 WeakPolarHBondContact CA-O 3.38Å; A250-L330 HydrophobicContact CB-CG 4.25Å |
| 251 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 124.5 | -179.4 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | R249 P258 I328 I329 W336 N341 | R249-V251 HydrophobicContact CG-CG2 4.23Å; V251-P258 HydrophobicContact CG1-CB 3.86Å; V251-I328 CarbonylContact O-C 3.56Å; V251-I328 WeakPolarHBondContact O-CA 3.31Å; V251-I329 PolarHBondContact N-O 3.46Å; V251-I329 PolarHBondContact O-N 3.45Å; V251-W336 HydrophobicContact CB-CH2 4.16Å; V251-W336 HydrophobicContact CG2-CH2 3.63Å; V251-W336 HydrophobicContact CG2-CZ2 4.13Å; V251-W336 HydrophobicContact CG2-CZ3 4.07Å; V251-N341 HydrophobicContact CG1-CB 4.19Å; V251-N341 HydrophobicContact CG2-CB 4.35Å; V251-N341 WeakPolarHBondContact CG2-OD1 3.39Å |
| 252 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 136.2 | 171.5 | 170.7 | 65.9 | 0 | 0 | 0 | 110.1 | I240 R254 P258 V259 L261 T319 D325 I328 L396 | I240-L252 HydrophobicContact CD1-CD1 4.12Å; I240-L252 HydrophobicContact CD1-CD2 4.38Å; L252-R254 HydrophobicContact CD2-CB 4.33Å; L252-R254 HydrophobicContact CG-CB 4.35Å; L252-P258 CarbonylContact O-C 3.56Å; L252-P258 WeakPolarHBondContact O-CA 3.1Å; L252-V259 HydrophobicContact CB-CB 4.3Å; L252-V259 PolarHBondContact N-O 3.38Å; L252-V259 PolarHBondContact O-N 3.04Å; L252-L261 HydrophobicContact CB-CD1 3.86Å; L252-L261 HydrophobicContact CB-CD2 4Å; L252-L261 HydrophobicContact CB-CG 3.87Å; L252-L261 HydrophobicContact CD2-CD2 4.39Å; L252-T319 HydrophobicContact CD2-CG2 4.43Å; L252-D325 HydrophobicContact CD1-CB 4.12Å; L252-I328 HydrophobicContact CD1-CG1 4.05Å; L252-L396 HydrophobicContact CD1-CD1 3.86Å |
| 253 | S | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 113.5 | 162 | -167.7 | 0 | 0 | 0 | 0 | 110.2 | E326 F327 | S253-E326 PolarHBondContact O-N 3.12Å; S253-E326 PolarHBondContact OG-OE2 3.1Å; S253-F327 VanDerWaalsContact CB-CE2 3.48Å; S253-F327 PolarHBondContact N-O 3.04Å |
| 254 | R | 97.6 | Very high | 98.2 | Very high | 65 Ų | 65 | 24.8 Ų | 24.8 | 25% | 0.245 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 107.7 | 178.4 | 179.2 | 167.5 | -75.3 | -175.4 | -7.4 | 109.6 | L252 G256 V257 V259 E320 K324 D325 | L252-R254 HydrophobicContact CD2-CB 4.33Å; L252-R254 HydrophobicContact CG-CB 4.35Å; R254-G256 PolarHBondContact O-N 3.01Å; R254-V257 PolarHBondContact N-O 3.08Å; R254-V257 PolarHBondContact O-N 2.81Å; R254-V259 HydrophobicContact CB-CG2 3.95Å; R254-E320 PolarHBondContact NH2-O 2.69Å; R254-K324 HydrophobicContact CG-CB 3.97Å; R254-D325 IonicContact CZ-OD1 2.78Å; R254-D325 IonicContact NE-OD1 3.13Å; R254-D325 PolarHBondContact NE-OD1 3.48Å; R254-D325 IonicContact NH2-OD1 3.86Å; R254-D325 PolarHBondContact NH2-OD1 2.9Å; R254-D325 IonicContact NH2-OD2 2.69Å; R254-D325 PolarHBondContact NH2-OD2 2.98Å |
| 255 | G | 95.8 | Very high | 98.2 | Very high | 45 Ų | 45 | 24.7 Ų | 24.7 | 46% | 0.464 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 25.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V257 K324 | G255-V257 VanDerWaalsContact C-N 3.34Å; G255-K324 PolarHBondContact N-O 3.32Å |
| 256 | G | 94 | Very high | 98.2 | Very high | 29 Ų | 29 | 27 Ų | 27 | 30% | 0.299 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 1.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | R254 | R254-G256 PolarHBondContact O-N 3.01Š|
| 257 | V | 97.5 | Very high | 98.1 | Very high | 92 Ų | 92 | 27 Ų | 27 | 56% | 0.558 | 17% | 0.167 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 131 | 174.1 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | R254 G255 | R254-V257 PolarHBondContact N-O 3.08Å; R254-V257 PolarHBondContact O-N 2.81Å; G255-V257 VanDerWaalsContact C-N 3.34Å |
| 258 | P | 98.3 | Very high | 98.1 | Very high | 24 Ų | 24 | 30.4 Ų | 30.4 | 16% | 0.156 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 133.4 | 172.8 | 28.4 | -33.8 | 0 | 0 | 0 | 110.7 | V251 L252 N341 E342 C345 | V251-P258 HydrophobicContact CG1-CB 3.86Å; L252-P258 CarbonylContact O-C 3.56Å; L252-P258 WeakPolarHBondContact O-CA 3.1Å; P258-N341 HydrophobicContact CB-CB 3.89Å; P258-N341 HydrophobicContact CG-CB 4.39Å; P258-E342 HydrophobicContact CG-CB 4.48Å; P258-E342 HydrophobicContact CG-CG 3.94Å; P258-C345 HydrophobicContact CB-CB 4.38Å |
| 259 | V | 98.6 | Very high | 98.1 | Very high | 49 Ų | 49 | 32.1 Ų | 32.1 | 30% | 0.297 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 102.3 | 173.5 | -178.6 | 0 | 0 | 0 | 0 | 106.6 | L252 R254 L261 | L252-V259 HydrophobicContact CB-CB 4.3Å; L252-V259 PolarHBondContact N-O 3.38Å; L252-V259 PolarHBondContact O-N 3.04Å; R254-V259 HydrophobicContact CB-CG2 3.95Å; V259-L261 HydrophobicContact CG1-CD2 4.36Å; V259-L261 PolarHBondContact O-N 3.36Å |
| 260 | P | 98.6 | Very high | 98 | Very high | 70 Ų | 70 | 35.1 Ų | 35.1 | 46% | 0.455 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 129.6 | 173.7 | -21.8 | 33.6 | 0 | 0 | 0 | 109.8 | ||
| 261 | L | 98.7 | Very high | 98 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -101.4 | -8 | 176.3 | -60.7 | -173.4 | 0 | 0 | 0 | 112.2 | I240 V242 A250 L252 V259 T317 T319 | I240-L261 HydrophobicContact CG2-CD1 3.76Å; V242-L261 HydrophobicContact CB-CB 4.1Å; V242-L261 HydrophobicContact CG1-CB 4.3Å; V242-L261 HydrophobicContact CG2-CB 3.72Å; V242-L261 HydrophobicContact CG2-CD1 3.68Å; V242-L261 HydrophobicContact CG2-CG 4.39Å; A250-L261 HydrophobicContact CB-CB 4.24Å; A250-L261 PolarHBondContact O-N 3.05Å; L252-L261 HydrophobicContact CB-CD1 3.86Å; L252-L261 HydrophobicContact CB-CD2 4Å; L252-L261 HydrophobicContact CB-CG 3.87Å; L252-L261 HydrophobicContact CD2-CD2 4.39Å; V259-L261 HydrophobicContact CG1-CD2 4.36Å; V259-L261 PolarHBondContact O-N 3.36Å; L261-T317 WeakPolarHBondContact O-CB 3.43Å; L261-T317 PolarHBondContact O-OG1 2.87Å; L261-T319 HydrophobicContact CD2-CG2 4.4Å |
| 262 | S | 98.7 | Very high | 98 | Very high | 13 Ų | 13 | 38.4 Ų | 38.4 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | trans | -134.6 | 157.9 | 172.2 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | N244 R249 A250 | N244-S262 VanDerWaalsContact CB-CB 3.48Å; R249-S262 WeakPolarHBondContact CA-OG 3.33Å; R249-S262 WeakPolarHBondContact CG-OG 3.33Å; A250-S262 PolarHBondContact N-OG 2.94Å | ||
| 263 | S | 98.3 | Very high | 98 | Very high | 56 Ų | 56 | 41.1 Ų | 41.1 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | trans | -113.3 | 132.5 | 166.9 | 177.6 | 0 | 0 | 0 | 0 | 108.2 | N244 H265 R269 | N244-S263 PolarHBondContact ND2-O 3.46Å; S263-H265 PolarHBondContact O-N 3.45Å; S263-R269 PolarHBondContact OG-NH1 3.35Å; S263-R269 VanDerWaalsContact OG-NH1 3.17Å | ||
| 264 | D | 98.6 | Very high | 98 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 12% | 0.123 | 28% | 0.278 | C | S | . | . | trans | -64.3 | 132.3 | 179.5 | -56.5 | 15.4 | 0 | 0 | 0 | 110.2 | D247 R249 K266 | D247-D264 HydrophobicContact CB-CB 4.15Å; R249-D264 IonicContact CZ-OD1 2.75Å; R249-D264 IonicContact CZ-OD2 2.94Å; R249-D264 IonicContact NE-OD1 2.7Å; R249-D264 PolarHBondContact NE-OD1 3.45Å; R249-D264 IonicContact NE-OD2 3.47Å; R249-D264 IonicContact NH2-OD1 3.83Å; R249-D264 PolarHBondContact NH2-OD1 3.1Å; R249-D264 IonicContact NH2-OD2 3.49Å; R249-D264 PolarHBondContact NH2-OD2 3.02Å; D264-K266 HydrophobicContact CB-CG 3.88Å; D264-K266 PolarHBondContact O-N 3.05Å | ||
| 265 | H | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -80.5 | 72 | 172.1 | -62 | 143.8 | 0 | 0 | 0 | 109.8 | N244 G246 S263 R269 T297 S298 R299 E315 | N244-H265 PolarHBondContact O-CE1 3.02Å; G246-H265 PolarHBondContact N-ND1 3.36Å; G246-H265 VanDerWaalsContact N-ND1 3.11Å; G246-H265 PolarHBondContact O-N 3.05Å; S263-H265 PolarHBondContact O-N 3.45Å; H265-R269 PolarHBondContact CD2-NH1 3.43Å; H265-T297 CarbonylContact O-C 3.41Å; H265-T297 VanDerWaalsContact O-CA 3.31Å; H265-T297 WeakPolarHBondContact O-CA 3.33Å; H265-T297 PolarHBondContact O-OG1 2.91Å; H265-S298 VanDerWaalsContact C-OG 3.27Å; H265-S298 PolarHBondContact O-N 2.83Å; H265-S298 PolarHBondContact O-OG 2.95Å; H265-S298 VanDerWaalsContact O-OG 3.09Å; H265-R299 HydrophobicContact CB-CB 3.92Å; H265-R299 HydrophobicContact CB-CG 3.95Å; H265-E315 WeakPolarHBondContact NE2-CG 3.44Å; H265-E315 IonicContact NE2-OE1 3.5Å; H265-E315 IonicContact NE2-OE2 2.69Å | ||
| 266 | K | 98 | Very high | 98.2 | Very high | 47 Ų | 47 | 45.1 Ų | 45.1 | 20% | 0.204 | 26% | 0.255 | C | S | . | . | trans | -89.4 | 140.7 | 174.8 | -62.5 | -67.6 | -170.5 | -179.1 | 0 | 110.1 | D247 D264 D268 R269 | D247-K266 HydrophobicContact CB-CD 3.89Å; D247-K266 VanDerWaalsContact CB-CE 3.45Å; D247-K266 IonicContact OD2-NZ 3.53Å; D247-K266 PolarHBondContact OD2-NZ 3.24Å; D264-K266 HydrophobicContact CB-CG 3.88Å; D264-K266 PolarHBondContact O-N 3.05Å; K266-D268 VanDerWaalsContact CB-OD1 3.27Å; K266-D268 WeakPolarHBondContact CB-OD1 2.87Å; K266-D268 PolarHBondContact O-N 3.4Å; K266-D268 VanDerWaalsContact O-N 3.12Å; K266-R269 VanDerWaalsContact O-CB 3.27Å; K266-R269 WeakPolarHBondContact O-CB 3.38Å; K266-R269 PolarHBondContact O-N 2.94Å | ||
| 267 | P | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.3 | -176.4 | -27.6 | 37.1 | 0 | 0 | 0 | 115.7 | V283 V291 A296 | P267-V283 HydrophobicContact CB-CB 4.47Å; P267-V283 HydrophobicContact CB-CG1 3.63Å; P267-V283 HydrophobicContact CB-CG2 3.97Å; P267-V291 HydrophobicContact CB-CG2 4.02Å; P267-V291 HydrophobicContact CG-CG2 3.81Å; P267-A296 WeakPolarHBondContact CD-O 3.48Å |
| 268 | D | 97.5 | Very high | 98.4 | Very high | 80 Ų | 80 | 49 Ų | 49 | 43% | 0.428 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -2.1 | 175.8 | 59.3 | -38.9 | 0 | 0 | 0 | 114.2 | K266 Y289 | K266-D268 VanDerWaalsContact CB-OD1 3.27Å; K266-D268 WeakPolarHBondContact CB-OD1 2.87Å; K266-D268 PolarHBondContact O-N 3.4Å; K266-D268 VanDerWaalsContact O-N 3.12Å; D268-Y289 HydrophobicContact CB-CD1 4.13Å; D268-Y289 HydrophobicContact CB-CD2 3.42Å; D268-Y289 VanDerWaalsContact CB-CD2 3.42Å; D268-Y289 HydrophobicContact CB-CE2 3.92Å; D268-Y289 HydrophobicContact CB-CG 3.54Å |
| 269 | R | 98.2 | Very high | 98.4 | Very high | 36 Ų | 36 | 50 Ų | 50 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -63.3 | 127 | 169.8 | -154.9 | 177.8 | 71.4 | 176.2 | 0.1 | 108 | S263 H265 K266 D271 E272 L273 E315 | S263-R269 PolarHBondContact OG-NH1 3.35Å; S263-R269 VanDerWaalsContact OG-NH1 3.17Å; H265-R269 PolarHBondContact CD2-NH1 3.43Å; K266-R269 VanDerWaalsContact O-CB 3.27Å; K266-R269 WeakPolarHBondContact O-CB 3.38Å; K266-R269 PolarHBondContact O-N 2.94Å; R269-D271 VanDerWaalsContact C-N 3.3Å; R269-D271 WeakPolarHBondContact CG-OD1 3.48Å; R269-D271 IonicContact CZ-OD1 2.72Å; R269-D271 IonicContact CZ-OD2 2.82Å; R269-D271 IonicContact NE-OD1 3.67Å; R269-D271 PolarHBondContact NE-OD1 3.4Å; R269-D271 IonicContact NE-OD2 3.35Å; R269-D271 PolarHBondContact NE-OD2 3.39Å; R269-D271 IonicContact NH2-OD1 2.91Å; R269-D271 IonicContact NH2-OD2 3.5Å; R269-D271 PolarHBondContact NH2-OD2 2.9Å; R269-D271 PolarHBondContact O-N 3.14Å; R269-D271 VanDerWaalsContact O-N 3.14Å; R269-E272 HydrophobicContact CB-CB 4.14Å; R269-E272 HydrophobicContact CB-CG 4.18Å; R269-E272 IonicContact NH2-OE1 3.06Å; R269-E272 PolarHBondContact O-N 3.25Å; R269-L273 PolarHBondContact O-N 2.97Å; R269-E315 IonicContact CZ-OE1 3.91Å; R269-E315 IonicContact CZ-OE2 3.81Å; R269-E315 IonicContact NH1-OE1 3.53Å; R269-E315 PolarHBondContact NH1-OE1 3.1Å; R269-E315 IonicContact NH1-OE2 3.1Å; R269-E315 PolarHBondContact NH1-OE2 2.85Å; R269-E315 IonicContact NH2-OE1 3.27Å; R269-E315 PolarHBondContact NH2-OE1 3.03Å; R269-E315 IonicContact NH2-OE2 3.73Å |
| 270 | P | 98.4 | Very high | 98.3 | Very high | 104 Ų | 104 | 50.7 Ų | 50.7 | 68% | 0.675 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -54.1 | -40.2 | -167.2 | -31.5 | 35.9 | 0 | 0 | 0 | 115.6 | E274 | P270-E274 WeakPolarHBondContact O-CB 3.26Å; P270-E274 PolarHBondContact O-N 3.44Å; P270-E274 VanDerWaalsContact O-N 3.11Å |
| 271 | D | 98.5 | Very high | 98.3 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 37% | 0.369 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.2 | -37.8 | 177.2 | 62.7 | -43.2 | 0 | 0 | 0 | 112.6 | R269 R275 | R269-D271 VanDerWaalsContact C-N 3.3Å; R269-D271 WeakPolarHBondContact CG-OD1 3.48Å; R269-D271 IonicContact CZ-OD1 2.72Å; R269-D271 IonicContact CZ-OD2 2.82Å; R269-D271 IonicContact NE-OD1 3.67Å; R269-D271 PolarHBondContact NE-OD1 3.4Å; R269-D271 IonicContact NE-OD2 3.35Å; R269-D271 PolarHBondContact NE-OD2 3.39Å; R269-D271 IonicContact NH2-OD1 2.91Å; R269-D271 IonicContact NH2-OD2 3.5Å; R269-D271 PolarHBondContact NH2-OD2 2.9Å; R269-D271 PolarHBondContact O-N 3.14Å; R269-D271 VanDerWaalsContact O-N 3.14Å; D271-R275 VanDerWaalsContact O-CB 3.31Å; D271-R275 WeakPolarHBondContact O-CB 3.3Å; D271-R275 PolarHBondContact O-N 2.93Å |
| 272 | E | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.4 | -37.9 | 177.2 | -68.4 | -70.1 | 98.4 | 0 | 0 | 111.9 | R269 R275 V276 S298 R299 | R269-E272 HydrophobicContact CB-CB 4.14Å; R269-E272 HydrophobicContact CB-CG 4.18Å; R269-E272 IonicContact NH2-OE1 3.06Å; R269-E272 PolarHBondContact O-N 3.25Å; E272-R275 PolarHBondContact O-N 3.39Å; E272-R275 IonicContact OE1-CZ 2.75Å; E272-R275 IonicContact OE1-NE 2.79Å; E272-R275 PolarHBondContact OE1-NE 3.47Å; E272-R275 IonicContact OE1-NH2 3.06Å; E272-R275 IonicContact OE2-CZ 3.11Å; E272-R275 IonicContact OE2-NE 2.65Å; E272-R275 PolarHBondContact OE2-NE 2.87Å; E272-R275 IonicContact OE2-NH2 3.51Å; E272-R275 PolarHBondContact OE2-NH2 3.34Å; E272-V276 WeakPolarHBondContact O-CB 3.33Å; E272-V276 VanDerWaalsContact O-CG2 3.27Å; E272-V276 WeakPolarHBondContact O-CG2 3.31Å; E272-V276 PolarHBondContact O-N 2.8Å; E272-S298 WeakPolarHBondContact CG-OG 3.46Å; E272-S298 VanDerWaalsContact OE2-CB 3.24Å; E272-S298 WeakPolarHBondContact OE2-CB 3.22Å; E272-S298 PolarHBondContact OE2-OG 3.34Å; E272-R299 IonicContact OE1-CZ 2.78Å; E272-R299 IonicContact OE1-NE 3.32Å; E272-R299 PolarHBondContact OE1-NE 2.7Å; E272-R299 IonicContact OE1-NH2 3.97Å; E272-R299 PolarHBondContact OE1-NH2 3.5Å; E272-R299 VanDerWaalsContact OE2-CG 3.26Å; E272-R299 WeakPolarHBondContact OE2-CG 3.4Å; E272-R299 IonicContact OE2-NE 2.78Å; E272-R299 PolarHBondContact OE2-NE 3.08Å; E272-R299 VanDerWaalsContact OE2-NE 3.1Å |
| 273 | L | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 56.3 Ų | 56.3 | 29% | 0.293 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.4 | -52.7 | 172.1 | 176.7 | 61.8 | 0 | 0 | 0 | 110.4 | R269 R275 V276 E277 V283 | R269-L273 PolarHBondContact O-N 2.97Å; L273-R275 VanDerWaalsContact C-N 3.32Å; L273-R275 PolarHBondContact O-N 3.39Å; L273-V276 PolarHBondContact O-N 2.84Å; L273-E277 HydrophobicContact CD1-CG 4.16Å; L273-E277 WeakPolarHBondContact O-CG 3.5Å; L273-E277 PolarHBondContact O-N 3.05Å; L273-V283 HydrophobicContact CD1-CB 3.52Å; L273-V283 HydrophobicContact CD1-CG1 4.23Å; L273-V283 HydrophobicContact CD1-CG2 3.48Å; L273-V283 VanDerWaalsContact CD1-CG2 3.48Å |
| 274 | E | 98.5 | Very high | 98.2 | Very high | 133 Ų | 133 | 56.9 Ų | 56.9 | 62% | 0.621 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.9 | -42.8 | 177.7 | -177.2 | 176.1 | -166.8 | 0 | 0 | 111.5 | P270 S278 | P270-E274 WeakPolarHBondContact O-CB 3.26Å; P270-E274 PolarHBondContact O-N 3.44Å; P270-E274 VanDerWaalsContact O-N 3.11Å; E274-S278 WeakPolarHBondContact O-CB 3.34Å; E274-S278 PolarHBondContact O-N 2.88Å; E274-S278 PolarHBondContact O-OG 2.88Å |
| 275 | R | 98.6 | Very high | 98.1 | Very high | 62 Ų | 62 | 60.4 Ų | 60.4 | 23% | 0.234 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 177.1 | -176.5 | -175.7 | 61.6 | 69.3 | -1.3 | 112 | D271 E272 L273 A279 S298 F309 | D271-R275 VanDerWaalsContact O-CB 3.31Å; D271-R275 WeakPolarHBondContact O-CB 3.3Å; D271-R275 PolarHBondContact O-N 2.93Å; E272-R275 PolarHBondContact O-N 3.39Å; E272-R275 IonicContact OE1-CZ 2.75Å; E272-R275 IonicContact OE1-NE 2.79Å; E272-R275 PolarHBondContact OE1-NE 3.47Å; E272-R275 IonicContact OE1-NH2 3.06Å; E272-R275 IonicContact OE2-CZ 3.11Å; E272-R275 IonicContact OE2-NE 2.65Å; E272-R275 PolarHBondContact OE2-NE 2.87Å; E272-R275 IonicContact OE2-NH2 3.51Å; E272-R275 PolarHBondContact OE2-NH2 3.34Å; L273-R275 VanDerWaalsContact C-N 3.32Å; L273-R275 PolarHBondContact O-N 3.39Å; R275-A279 PolarHBondContact O-N 2.88Å; R275-S298 PolarHBondContact NH2-O 3.44Å; R275-F309 PolarHBondContact NH1-O 3.06Å |
| 276 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.1 | -45.9 | -179.4 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | E272 L273 A279 G281 V283 V291 F309 | E272-V276 WeakPolarHBondContact O-CB 3.33Å; E272-V276 VanDerWaalsContact O-CG2 3.27Å; E272-V276 WeakPolarHBondContact O-CG2 3.31Å; E272-V276 PolarHBondContact O-N 2.8Å; L273-V276 PolarHBondContact O-N 2.84Å; V276-A279 PolarHBondContact O-N 3.03Å; V276-G281 VanDerWaalsContact O-CA 3.31Å; V276-G281 WeakPolarHBondContact O-CA 3.46Å; V276-G281 PolarHBondContact O-N 3.09Å; V276-V283 HydrophobicContact CB-CG2 4.2Å; V276-V283 HydrophobicContact CG1-CG2 3.91Å; V276-V291 HydrophobicContact CG1-CG1 4.06Å; V276-V291 HydrophobicContact CG2-CG2 4.15Å; V276-F309 HydrophobicContact CG1-CB 4.44Å |
| 277 | E | 98.2 | Very high | 97.4 | Very high | 107 Ų | 107 | 75.4 Ų | 75.4 | 50% | 0.5 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.8 | -38.3 | -179.5 | -68.4 | -171.3 | 156.2 | 0 | 0 | 112.3 | L273 A279 G280 | L273-E277 HydrophobicContact CD1-CG 4.16Å; L273-E277 WeakPolarHBondContact O-CG 3.5Å; L273-E277 PolarHBondContact O-N 3.05Å; E277-A279 PolarHBondContact O-N 2.93Å; E277-G280 WeakPolarHBondContact O-CA 3.46Å; E277-G280 PolarHBondContact O-N 3Å |
| 278 | S | 98.1 | Very high | 97.2 | Very high | 95 Ų | 95 | 77.1 Ų | 77.1 | 66% | 0.664 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.2 | -28.6 | 175 | -63.5 | 0 | 0 | 0 | 0 | 112.8 | E274 G280 | E274-S278 WeakPolarHBondContact O-CB 3.34Å; E274-S278 PolarHBondContact O-N 2.88Å; E274-S278 PolarHBondContact O-OG 2.88Å; S278-G280 PolarHBondContact O-N 2.9Å |
| 279 | A | 97.8 | Very high | 97.2 | Very high | 45 Ų | 45 | 78.4 Ų | 78.4 | 37% | 0.372 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -1.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R275 V276 E277 P308 F309 | R275-A279 PolarHBondContact O-N 2.88Å; V276-A279 PolarHBondContact O-N 3.03Å; E277-A279 PolarHBondContact O-N 2.93Å; A279-P308 HydrophobicContact CB-CG 4.36Å; A279-F309 HydrophobicContact CB-CD1 4.06Å; A279-F309 HydrophobicContact CB-CE1 4.38Å; A279-F309 WeakPolarHBondContact O-CE1 3.37Å |
| 280 | G | 97.8 | Very high | 97.2 | Very high | 63 Ų | 63 | 80.1 Ų | 80.1 | 65% | 0.649 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.4 | 8.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E277 S278 | E277-G280 WeakPolarHBondContact O-CA 3.46Å; E277-G280 PolarHBondContact O-N 3Å; S278-G280 PolarHBondContact O-N 2.9Å |
| 281 | G | 97.5 | Very high | 97.1 | Very high | 6 Ų | 6 | 75.1 Ų | 75.1 | 6% | 0.062 | 38% | 0.38 | C | S | . | . | trans | -80 | -179.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V276 F309 | V276-G281 VanDerWaalsContact O-CA 3.31Å; V276-G281 WeakPolarHBondContact O-CA 3.46Å; V276-G281 PolarHBondContact O-N 3.09Å; G281-F309 VanDerWaalsContact CA-CD1 3.43Å | ||
| 282 | R | 97.7 | Very high | 97.1 | Very high | 175 Ų | 175 | 75.1 Ų | 75.1 | 66% | 0.66 | 38% | 0.38 | S | S | * | . | trans | -137.3 | 142.6 | 171.9 | -70.6 | -167.3 | -80.4 | -153.5 | -3.6 | 109.9 | I284 L292 | R282-I284 HydrophobicContact CB-CG1 4.37Å; R282-L292 HydrophobicContact CB-CD2 4.27Å; R282-L292 PolarHBondContact O-N 2.94Å | ||
| 283 | V | 98 | Very high | 96.9 | Very high | 24 Ų | 24 | 76.1 Ų | 76.1 | 15% | 0.145 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.6 | 167.6 | 178.6 | 0 | 0 | 0 | 0 | 108.2 | P267 L273 V276 Y289 R290 | P267-V283 HydrophobicContact CB-CB 4.47Å; P267-V283 HydrophobicContact CB-CG1 3.63Å; P267-V283 HydrophobicContact CB-CG2 3.97Å; L273-V283 HydrophobicContact CD1-CB 3.52Å; L273-V283 HydrophobicContact CD1-CG1 4.23Å; L273-V283 HydrophobicContact CD1-CG2 3.48Å; L273-V283 VanDerWaalsContact CD1-CG2 3.48Å; V276-V283 HydrophobicContact CB-CG2 4.2Å; V276-V283 HydrophobicContact CG1-CG2 3.91Å; V283-Y289 HydrophobicContact CG1-CD1 3.98Å; V283-Y289 HydrophobicContact CG1-CG 4.44Å; V283-R290 WeakPolarHBondContact CA-O 3.23Å |
| 284 | I | 97.8 | Very high | 96.8 | Very high | 69 Ų | 69 | 76.8 Ų | 76.8 | 35% | 0.354 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 126.6 | -174.1 | -55.1 | 177.4 | 0 | 0 | 0 | 107.9 | R282 W286 R290 | R282-I284 HydrophobicContact CB-CG1 4.37Å; I284-W286 HydrophobicContact CG2-CB 4.28Å; I284-W286 PolarHBondContact O-N 2.78Å; I284-W286 VanDerWaalsContact O-N 3.09Å; I284-R290 PolarHBondContact N-O 2.87Å; I284-R290 PolarHBondContact O-N 2.93Å |
| 285 | N | 96.7 | Very high | 96.7 | Very high | 97 Ų | 97 | 71.2 Ų | 71.2 | 52% | 0.519 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 97.8 | 169.8 | -170 | -11.3 | 0 | 0 | 0 | 109.4 | G288 Y289 | N285-G288 PolarHBondContact OD1-N 3.02Å; N285-Y289 HydrophobicContact CB-CD1 3.9Å; N285-Y289 HydrophobicContact CB-CE1 3.79Å |
| 286 | W | 92 | Very high | 96.6 | Very high | 174 Ų | 174 | 69.9 Ų | 69.9 | 66% | 0.659 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -135.1 | 86.4 | 179.3 | -173.3 | -95.9 | 0 | 0 | 0 | 109.2 | I284 G288 R290 | I284-W286 HydrophobicContact CG2-CB 4.28Å; I284-W286 PolarHBondContact O-N 2.78Å; I284-W286 VanDerWaalsContact O-N 3.09Å; W286-G288 CarbonylContact C-O 3.57Å; W286-G288 PolarHBondContact N-O 2.86Å; W286-R290 WeakPolarHBondContact O-CD 3.42Å; W286-R290 PolarHBondContact O-NE 2.81Å; W286-R290 VanDerWaalsContact O-NE 3.09Å |
| 287 | K | 90.9 | Very high | 96.6 | Very high | 187 Ų | 187 | 70.1 Ų | 70.1 | 81% | 0.813 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 55.5 | 54.9 | -168.1 | -55.5 | 179 | 180 | 178.6 | 0 | 110.9 | ||
| 288 | G | 93 | Very high | 96.6 | Very high | 36 Ų | 36 | 65 Ų | 65 | 37% | 0.371 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 103.8 | 156 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N285 W286 R290 | N285-G288 PolarHBondContact OD1-N 3.02Å; W286-G288 CarbonylContact C-O 3.57Å; W286-G288 PolarHBondContact N-O 2.86Å; G288-R290 PolarHBondContact O-N 3.21Å |
| 289 | Y | 97.5 | Very high | 96.6 | Very high | 108 Ų | 108 | 61.4 Ų | 61.4 | 42% | 0.424 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 125.9 | 177.2 | -69.3 | -82 | 0 | 0 | 0 | 110.5 | D268 V283 N285 | D268-Y289 HydrophobicContact CB-CD1 4.13Å; D268-Y289 HydrophobicContact CB-CD2 3.42Å; D268-Y289 VanDerWaalsContact CB-CD2 3.42Å; D268-Y289 HydrophobicContact CB-CE2 3.92Å; D268-Y289 HydrophobicContact CB-CG 3.54Å; V283-Y289 HydrophobicContact CG1-CD1 3.98Å; V283-Y289 HydrophobicContact CG1-CG 4.44Å; N285-Y289 HydrophobicContact CB-CD1 3.9Å; N285-Y289 HydrophobicContact CB-CE1 3.79Å |
| 290 | R | 98.3 | Very high | 96.7 | Very high | 71 Ų | 71 | 59.2 Ų | 59.2 | 27% | 0.268 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 139 | -174.8 | -67.5 | 173.9 | -177.6 | -82.7 | -13.1 | 111.8 | V283 I284 W286 G288 L292 G293 V294 L295 A296 | V283-R290 WeakPolarHBondContact CA-O 3.23Å; I284-R290 PolarHBondContact N-O 2.87Å; I284-R290 PolarHBondContact O-N 2.93Å; W286-R290 WeakPolarHBondContact O-CD 3.42Å; W286-R290 PolarHBondContact O-NE 2.81Å; W286-R290 VanDerWaalsContact O-NE 3.09Å; G288-R290 PolarHBondContact O-N 3.21Å; R290-L292 PolarHBondContact O-N 3.39Å; R290-G293 WeakPolarHBondContact CD-O 3.39Å; R290-G293 PolarHBondContact O-N 2.96Å; R290-V294 PolarHBondContact NH1-O 3.02Å; R290-L295 CarbonylContact C-O 3.56Å; R290-L295 WeakPolarHBondContact CA-O 3.5Å; R290-L295 WeakPolarHBondContact CB-O 3.46Å; R290-A296 HydrophobicContact CG-CB 4.39Å |
| 291 | V | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 121.9 | 170.2 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | P267 V276 G293 V294 L295 M306 F309 I310 | P267-V291 HydrophobicContact CB-CG2 4.02Å; P267-V291 HydrophobicContact CG-CG2 3.81Å; V276-V291 HydrophobicContact CG1-CG1 4.06Å; V276-V291 HydrophobicContact CG2-CG2 4.15Å; V291-G293 PolarHBondContact O-N 3.49Å; V291-V294 PolarHBondContact O-N 2.83Å; V291-L295 PolarHBondContact N-O 3.48Å; V291-L295 PolarHBondContact O-N 2.96Å; V291-M306 HydrophobicContact CB-CE 3.83Å; V291-M306 HydrophobicContact CG1-CE 3.66Å; V291-M306 VanDerWaalsContact O-CE 3.27Å; V291-M306 WeakPolarHBondContact O-CE 3.46Å; V291-F309 HydrophobicContact CG1-CB 3.65Å; V291-I310 HydrophobicContact CB-CD1 4.02Å; V291-I310 HydrophobicContact CG1-CD1 4.16Å; V291-I310 HydrophobicContact CG2-CD1 3.86Å |
| 292 | L | 96.9 | Very high | 96.6 | Very high | 69 Ų | 69 | 56 Ų | 56 | 36% | 0.361 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 22.7 | -174.1 | -55.8 | -179.9 | 0 | 0 | 0 | 114.4 | R282 R290 V294 M306 F309 | R282-L292 HydrophobicContact CB-CD2 4.27Å; R282-L292 PolarHBondContact O-N 2.94Å; R290-L292 PolarHBondContact O-N 3.39Å; L292-V294 PolarHBondContact O-N 3.47Å; L292-M306 HydrophobicContact CB-CE 4.31Å; L292-M306 HydrophobicContact CD1-CE 4.45Å; L292-M306 HydrophobicContact CG-CE 4.48Å; L292-F309 HydrophobicContact CD1-CD2 3.68Å; L292-F309 HydrophobicContact CD1-CE2 3.73Å; L292-F309 HydrophobicContact CG-CD2 4.34Å |
| 293 | G | 95.6 | Very high | 96.6 | Very high | 21 Ų | 21 | 47.6 Ų | 47.6 | 22% | 0.216 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 5.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.8 | R290 V291 | R290-G293 WeakPolarHBondContact CD-O 3.39Å; R290-G293 PolarHBondContact O-N 2.96Å; V291-G293 PolarHBondContact O-N 3.49Å |
| 294 | V | 95.7 | Very high | 96.4 | Very high | 71 Ų | 71 | 48.6 Ų | 48.6 | 43% | 0.43 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -71 | -174.1 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | R290 V291 L292 Y305 M306 | R290-V294 PolarHBondContact NH1-O 3.02Å; V291-V294 PolarHBondContact O-N 2.83Å; L292-V294 PolarHBondContact O-N 3.47Å; V294-Y305 WeakPolarHBondContact CG1-OH 3.45Å; V294-M306 HydrophobicContact CB-CE 4.23Å; V294-M306 HydrophobicContact CB-SD 4.16Å; V294-M306 HydrophobicContact CG1-SD 4.23Å |
| 295 | L | 96.6 | Very high | 96.1 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -91.8 | 135.3 | -172.5 | -70.9 | 177.2 | 0 | 0 | 0 | 112.6 | R290 V291 T297 D303 M306 I310 | R290-L295 CarbonylContact C-O 3.56Å; R290-L295 WeakPolarHBondContact CA-O 3.5Å; R290-L295 WeakPolarHBondContact CB-O 3.46Å; V291-L295 PolarHBondContact N-O 3.48Å; V291-L295 PolarHBondContact O-N 2.96Å; L295-T297 VanDerWaalsContact C-N 3.32Å; L295-D303 HydrophobicContact CD1-CB 4.07Å; L295-M306 HydrophobicContact CB-CE 4.25Å; L295-M306 HydrophobicContact CB-SD 4.27Å; L295-M306 HydrophobicContact CD1-CE 4.12Å; L295-M306 HydrophobicContact CD1-SD 3.35Å; L295-M306 WeakPolarHBondContact CD1-SD 3.11Å; L295-M306 HydrophobicContact CG-CE 4.18Å; L295-M306 HydrophobicContact CG-SD 3.56Å; L295-M306 VanDerWaalsContact CG-SD 3.56Å; L295-I310 HydrophobicContact CB-CD1 4.4Å; L295-I310 HydrophobicContact CD1-CD1 3.96Å; L295-I310 HydrophobicContact CD1-CG1 3.88Å |
| 296 | A | 96.8 | Very high | 96 | Very high | 33 Ų | 33 | 45.4 Ų | 45.4 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -86.2 | -2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P267 R290 | P267-A296 WeakPolarHBondContact CD-O 3.48Å; R290-A296 HydrophobicContact CG-CB 4.39Å |
| 297 | T | 97.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | trans | -116.3 | 151 | 168.2 | -173.4 | 0 | 0 | 0 | 0 | 110.1 | G246 H265 L295 R299 I310 | G246-T297 WeakPolarHBondContact CA-OG1 3.2Å; H265-T297 CarbonylContact O-C 3.41Å; H265-T297 VanDerWaalsContact O-CA 3.31Å; H265-T297 WeakPolarHBondContact O-CA 3.33Å; H265-T297 PolarHBondContact O-OG1 2.91Å; L295-T297 VanDerWaalsContact C-N 3.32Å; T297-R299 WeakPolarHBondContact CG2-O 3.19Å; T297-R299 PolarHBondContact OG1-N 3.38Å; T297-R299 PolarHBondContact OG1-O 2.92Å; T297-R299 VanDerWaalsContact OG1-O 3.08Å; T297-I310 VanDerWaalsContact O-CD1 3.3Å; T297-I310 WeakPolarHBondContact O-CD1 3.37Å | ||
| 298 | S | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -95.4 | -8.9 | 177.3 | 55.7 | 0 | 0 | 0 | 0 | 113 | H265 E272 R275 I310 S311 | H265-S298 VanDerWaalsContact C-OG 3.27Å; H265-S298 PolarHBondContact O-N 2.83Å; H265-S298 PolarHBondContact O-OG 2.95Å; H265-S298 VanDerWaalsContact O-OG 3.09Å; E272-S298 WeakPolarHBondContact CG-OG 3.46Å; E272-S298 VanDerWaalsContact OE2-CB 3.24Å; E272-S298 WeakPolarHBondContact OE2-CB 3.22Å; E272-S298 PolarHBondContact OE2-OG 3.34Å; R275-S298 PolarHBondContact NH2-O 3.44Å; S298-I310 WeakPolarHBondContact O-CA 3.37Å; S298-S311 PolarHBondContact O-N 2.95Å |
| 299 | R | 98.8 | Very high | 96.6 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 7% | 0.072 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -141 | 139.7 | 176.8 | -56.2 | -161.8 | -161 | 173.9 | 8.7 | 111.7 | G246 H265 E272 T297 S311 E313 E315 | G246-R299 WeakPolarHBondContact CA-O 3.36Å; H265-R299 HydrophobicContact CB-CB 3.92Å; H265-R299 HydrophobicContact CB-CG 3.95Å; E272-R299 IonicContact OE1-CZ 2.78Å; E272-R299 IonicContact OE1-NE 3.32Å; E272-R299 PolarHBondContact OE1-NE 2.7Å; E272-R299 IonicContact OE1-NH2 3.97Å; E272-R299 PolarHBondContact OE1-NH2 3.5Å; E272-R299 VanDerWaalsContact OE2-CG 3.26Å; E272-R299 WeakPolarHBondContact OE2-CG 3.4Å; E272-R299 IonicContact OE2-NE 2.78Å; E272-R299 PolarHBondContact OE2-NE 3.08Å; E272-R299 VanDerWaalsContact OE2-NE 3.1Å; T297-R299 WeakPolarHBondContact CG2-O 3.19Å; T297-R299 PolarHBondContact OG1-N 3.38Å; T297-R299 PolarHBondContact OG1-O 2.92Å; T297-R299 VanDerWaalsContact OG1-O 3.08Å; R299-S311 CarbonylContact C-O 3.57Å; R299-S311 WeakPolarHBondContact CA-O 3.41Å; R299-S311 WeakPolarHBondContact CB-O 3.19Å; R299-E313 VanDerWaalsContact CD-O 3.22Å; R299-E313 WeakPolarHBondContact CD-O 3.3Å; R299-E313 PolarHBondContact NH1-O 2.86Å; R299-E315 IonicContact CZ-OE1 3.81Å; R299-E315 IonicContact NH2-OE1 3.17Å; R299-E315 PolarHBondContact NH2-OE1 3.05Å |
| 300 | S | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -165.9 | 159.1 | 177.7 | 48.3 | 0 | 0 | 0 | 0 | 109.9 | S228 C245 D303 I310 S311 A312 | S228-S300 WeakPolarHBondContact O-CB 3.49Å; C245-S300 PolarHBondContact SG-N 2.92Å; S300-D303 WeakPolarHBondContact CB-OD2 3.43Å; S300-D303 PolarHBondContact OG-OD2 3.01Å; S300-I310 WeakPolarHBondContact OG-CG2 3.21Å; S300-S311 PolarHBondContact N-O 3.36Å; S300-A312 WeakPolarHBondContact O-CA 3.42Å; S300-A312 WeakPolarHBondContact O-CB 3.42Å | ||
| 301 | I | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 138.5 | 164.7 | -63.9 | 173.3 | 0 | 0 | 0 | 107.2 | V167 C171 L175 F205 V208 D209 V212 G227 S228 A230 | V167-I301 HydrophobicContact CG1-CB 4.22Å; V167-I301 HydrophobicContact CG1-CG2 3.8Å; C171-I301 VanDerWaalsContact SG-CD1 3.59Å; L175-I301 HydrophobicContact CD1-CD1 4.17Å; F205-I301 HydrophobicContact CD1-CD1 4.12Å; F205-I301 HydrophobicContact CD1-CG1 4.44Å; F205-I301 HydrophobicContact CE1-CD1 4.44Å; V208-I301 HydrophobicContact CG1-CD1 4.3Å; V208-I301 HydrophobicContact CG1-CG2 4.43Å; D209-I301 HydrophobicContact CB-CG2 4.25Å; V212-I301 HydrophobicContact CG2-CG2 4.3Å; G227-I301 CarbonylContact C-O 3.59Å; G227-I301 WeakPolarHBondContact CA-O 3.21Å; S228-I301 PolarHBondContact N-O 3.3Å; S228-I301 PolarHBondContact O-N 3.21Å; A230-I301 HydrophobicContact CB-CD1 3.98Å |
| 302 | G | 96.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 90 | -141.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D209 Y304 K307 | D209-G302 PolarHBondContact OD1-N 2.87Å; G302-Y304 VanDerWaalsContact C-N 3.28Å; G302-Y304 PolarHBondContact O-N 2.9Å; G302-K307 WeakPolarHBondContact O-CE 3.43Å; G302-K307 PolarHBondContact O-NZ 3.16Å |
| 303 | D | 95.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | 50.9 | 38.9 | 179.4 | -61.5 | -66.2 | 0 | 0 | 0 | 114.8 | H162 V226 G227 L295 S300 Y305 M306 K307 I310 | H162-D303 IonicContact CD2-OD1 3.76Å; H162-D303 PolarHBondContact CD2-OD1 3.23Å; H162-D303 IonicContact CD2-OD2 3.54Å; H162-D303 IonicContact CE1-OD2 2.77Å; H162-D303 PolarHBondContact CE1-OD2 3.44Å; H162-D303 VanDerWaalsContact CE1-OD2 3.27Å; H162-D303 IonicContact NE2-OD1 3.37Å; H162-D303 PolarHBondContact NE2-OD1 2.76Å; H162-D303 IonicContact NE2-OD2 2.66Å; H162-D303 PolarHBondContact NE2-OD2 2.94Å; V226-D303 PolarHBondContact O-N 2.89Å; G227-D303 WeakPolarHBondContact CA-OD2 3.47Å; L295-D303 HydrophobicContact CD1-CB 4.07Å; S300-D303 WeakPolarHBondContact CB-OD2 3.43Å; S300-D303 PolarHBondContact OG-OD2 3.01Å; D303-Y305 HydrophobicContact CB-CD1 4.49Å; D303-Y305 HydrophobicContact CB-CE1 4.25Å; D303-Y305 PolarHBondContact O-N 3.18Å; D303-M306 PolarHBondContact O-N 3.4Å; D303-K307 PolarHBondContact O-N 3.22Å; D303-I310 HydrophobicContact CB-CG2 4.16Å | ||
| 304 | Y | 94.1 | Very high | 96.9 | Very high | 44 Ų | 44 | 30 Ų | 30 | 17% | 0.173 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -58.5 | -27.3 | -173.6 | -54.4 | -86.8 | 0 | 0 | 0 | 113.5 | D209 V212 A213 H224 G302 M306 K307 | D209-Y304 PolarHBondContact O-OH 3.08Å; D209-Y304 PolarHBondContact OD1-OH 3.38Å; V212-Y304 HydrophobicContact CG1-CE2 4.25Å; A213-Y304 WeakPolarHBondContact CA-OH 3.42Å; A213-Y304 HydrophobicContact CB-CD1 4.03Å; A213-Y304 HydrophobicContact CB-CE1 3.32Å; A213-Y304 HydrophobicContact CB-CE2 3.95Å; A213-Y304 WeakPolarHBondContact CB-OH 3.18Å; A213-Y304 PolarHBondContact N-OH 3.47Å; H224-Y304 HydrophobicContact CB-CD2 4.12Å; H224-Y304 AromaticContact ND1-CD2 3.9Å; H224-Y304 PolarHBondContact O-N 3.48Å; G302-Y304 VanDerWaalsContact C-N 3.28Å; G302-Y304 PolarHBondContact O-N 2.9Å; Y304-M306 PolarHBondContact O-N 3.15Å; Y304-K307 HydrophobicContact CD1-CD 3.84Å; Y304-K307 HydrophobicContact CE1-CD 4.37Å; Y304-K307 VanDerWaalsContact CE1-CE 3.45Å; Y304-K307 PolarHBondContact O-N 2.91Å |
| 305 | Y | 92 | Very high | 97 | Very high | 96 Ų | 96 | 29.5 Ų | 29.5 | 38% | 0.376 | 15% | 0.15 | S | C | . | . | G | 310 helix | trans | -63.9 | -17.2 | 174.8 | 81.6 | -69.2 | 0 | 0 | 0 | 114.4 | G223 H224 T225 V294 D303 | G223-Y305 WeakPolarHBondContact O-CB 3.48Å; H224-Y305 VanDerWaalsContact O-CD1 3.25Å; H224-Y305 WeakPolarHBondContact O-CD1 3.42Å; T225-Y305 HydrophobicContact CG2-CD1 4.13Å; T225-Y305 HydrophobicContact CG2-CD2 4.36Å; T225-Y305 HydrophobicContact CG2-CE1 4.2Å; T225-Y305 HydrophobicContact CG2-CE2 4.42Å; T225-Y305 HydrophobicContact CG2-CG 4.19Å; V294-Y305 WeakPolarHBondContact CG1-OH 3.45Å; D303-Y305 HydrophobicContact CB-CD1 4.49Å; D303-Y305 HydrophobicContact CB-CE1 4.25Å; D303-Y305 PolarHBondContact O-N 3.18Å |
| 306 | M | 94.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -111.9 | 3.2 | 178.9 | -66 | -172.8 | 66.9 | 0 | 0 | 113.6 | V291 L292 V294 L295 D303 Y304 F309 I310 | V291-M306 HydrophobicContact CB-CE 3.83Å; V291-M306 HydrophobicContact CG1-CE 3.66Å; V291-M306 VanDerWaalsContact O-CE 3.27Å; V291-M306 WeakPolarHBondContact O-CE 3.46Å; L292-M306 HydrophobicContact CB-CE 4.31Å; L292-M306 HydrophobicContact CD1-CE 4.45Å; L292-M306 HydrophobicContact CG-CE 4.48Å; V294-M306 HydrophobicContact CB-CE 4.23Å; V294-M306 HydrophobicContact CB-SD 4.16Å; V294-M306 HydrophobicContact CG1-SD 4.23Å; L295-M306 HydrophobicContact CB-CE 4.25Å; L295-M306 HydrophobicContact CB-SD 4.27Å; L295-M306 HydrophobicContact CD1-CE 4.12Å; L295-M306 HydrophobicContact CD1-SD 3.35Å; L295-M306 WeakPolarHBondContact CD1-SD 3.11Å; L295-M306 HydrophobicContact CG-CE 4.18Å; L295-M306 HydrophobicContact CG-SD 3.56Å; L295-M306 VanDerWaalsContact CG-SD 3.56Å; D303-M306 PolarHBondContact O-N 3.4Å; Y304-M306 PolarHBondContact O-N 3.15Å; M306-F309 WeakPolarHBondContact O-CA 3.41Å; M306-F309 WeakPolarHBondContact O-CB 3.07Å; M306-F309 VanDerWaalsContact O-CD2 3.31Å; M306-F309 WeakPolarHBondContact O-CD2 3.15Å; M306-F309 PolarHBondContact O-N 3.23Å; M306-I310 HydrophobicContact CB-CB 4.29Å; M306-I310 HydrophobicContact CB-CG1 3.61Å; M306-I310 HydrophobicContact CE-CD1 4.44Å; M306-I310 HydrophobicContact CE-CG1 4.21Å; M306-I310 PolarHBondContact O-N 3.38Å; M306-I310 VanDerWaalsContact O-N 3.14Å; M306-I310 HydrophobicContact SD-CG1 4.47Å |
| 307 | K | 95.2 | Very high | 97.1 | Very high | 66 Ų | 66 | 30.7 Ų | 30.7 | 29% | 0.287 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 138.3 | 168.7 | -64.3 | -173.1 | -164.3 | -103.7 | 0 | 108.7 | D209 G302 D303 Y304 | D209-K307 IonicContact OD1-NZ 3.21Å; D209-K307 PolarHBondContact OD1-NZ 3.5Å; D209-K307 IonicContact OD2-NZ 3.04Å; D209-K307 PolarHBondContact OD2-NZ 2.96Å; G302-K307 WeakPolarHBondContact O-CE 3.43Å; G302-K307 PolarHBondContact O-NZ 3.16Å; D303-K307 PolarHBondContact O-N 3.22Å; Y304-K307 HydrophobicContact CD1-CD 3.84Å; Y304-K307 HydrophobicContact CE1-CD 4.37Å; Y304-K307 VanDerWaalsContact CE1-CE 3.45Å; Y304-K307 PolarHBondContact O-N 2.91Å |
| 308 | P | 96.2 | Very high | 97 | Very high | 88 Ų | 88 | 32.2 Ų | 32.2 | 57% | 0.571 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -94.2 | 7 | 11.8 | 38.2 | -36.7 | 0 | 0 | 0 | 115.2 | A279 I310 | A279-P308 HydrophobicContact CB-CG 4.36Å; P308-I310 VanDerWaalsContact C-N 3.34Å |
| 309 | F | 97.5 | Very high | 96.8 | Very high | 39 Ų | 39 | 33.2 Ų | 33.2 | 17% | 0.171 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -35.6 | -177 | -43.3 | -56.8 | 0 | 0 | 0 | 111.9 | R275 V276 A279 G281 V291 L292 M306 | R275-F309 PolarHBondContact NH1-O 3.06Å; V276-F309 HydrophobicContact CG1-CB 4.44Å; A279-F309 HydrophobicContact CB-CD1 4.06Å; A279-F309 HydrophobicContact CB-CE1 4.38Å; A279-F309 WeakPolarHBondContact O-CE1 3.37Å; G281-F309 VanDerWaalsContact CA-CD1 3.43Å; V291-F309 HydrophobicContact CG1-CB 3.65Å; L292-F309 HydrophobicContact CD1-CD2 3.68Å; L292-F309 HydrophobicContact CD1-CE2 3.73Å; L292-F309 HydrophobicContact CG-CD2 4.34Å; M306-F309 WeakPolarHBondContact O-CA 3.41Å; M306-F309 WeakPolarHBondContact O-CB 3.07Å; M306-F309 VanDerWaalsContact O-CD2 3.31Å; M306-F309 WeakPolarHBondContact O-CD2 3.15Å; M306-F309 PolarHBondContact O-N 3.23Å |
| 310 | I | 97.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -95.9 | 123.4 | 172.3 | -58 | -62.3 | 0 | 0 | 0 | 109.4 | V291 L295 T297 S298 S300 D303 M306 P308 | V291-I310 HydrophobicContact CB-CD1 4.02Å; V291-I310 HydrophobicContact CG1-CD1 4.16Å; V291-I310 HydrophobicContact CG2-CD1 3.86Å; L295-I310 HydrophobicContact CB-CD1 4.4Å; L295-I310 HydrophobicContact CD1-CD1 3.96Å; L295-I310 HydrophobicContact CD1-CG1 3.88Å; T297-I310 VanDerWaalsContact O-CD1 3.3Å; T297-I310 WeakPolarHBondContact O-CD1 3.37Å; S298-I310 WeakPolarHBondContact O-CA 3.37Å; S300-I310 WeakPolarHBondContact OG-CG2 3.21Å; D303-I310 HydrophobicContact CB-CG2 4.16Å; M306-I310 HydrophobicContact CB-CB 4.29Å; M306-I310 HydrophobicContact CB-CG1 3.61Å; M306-I310 HydrophobicContact CE-CD1 4.44Å; M306-I310 HydrophobicContact CE-CG1 4.21Å; M306-I310 PolarHBondContact O-N 3.38Å; M306-I310 VanDerWaalsContact O-N 3.14Å; M306-I310 HydrophobicContact SD-CG1 4.47Å; P308-I310 VanDerWaalsContact C-N 3.34Å |
| 311 | S | 97.9 | Very high | 96.4 | Very high | 27 Ų | 27 | 39 Ų | 39 | 19% | 0.189 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -102.3 | 145.8 | 176.9 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | S298 R299 S300 E313 | S298-S311 PolarHBondContact O-N 2.95Å; R299-S311 CarbonylContact C-O 3.57Å; R299-S311 WeakPolarHBondContact CA-O 3.41Å; R299-S311 WeakPolarHBondContact CB-O 3.19Å; S300-S311 PolarHBondContact N-O 3.36Å; S311-E313 VanDerWaalsContact C-N 3.33Å; S311-E313 VanDerWaalsContact OG-CB 3.23Å; S311-E313 WeakPolarHBondContact OG-CB 3.21Å; S311-E313 PolarHBondContact OG-N 2.91Å; S311-E313 VanDerWaalsContact OG-N 3.1Å |
| 312 | A | 98.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 8% | 0.083 | 21% | 0.208 | C | C | . | . | trans | -93.3 | 6.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D209 S300 P314 | D209-A312 HydrophobicContact CB-CB 3.74Å; D209-A312 VanDerWaalsContact CG-CB 3.42Å; D209-A312 WeakPolarHBondContact OD1-CB 3.26Å; S300-A312 WeakPolarHBondContact O-CA 3.42Å; S300-A312 WeakPolarHBondContact O-CB 3.42Å; A312-P314 WeakPolarHBondContact O-CD 3.39Å | ||
| 313 | E | 98.5 | Very high | 96.1 | Very high | 107 Ų | 107 | 46.2 Ų | 46.2 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -75.4 | 118.5 | -178 | -173.5 | -179.4 | 173 | 0 | 0 | 111.4 | R299 S311 | R299-E313 VanDerWaalsContact CD-O 3.22Å; R299-E313 WeakPolarHBondContact CD-O 3.3Å; R299-E313 PolarHBondContact NH1-O 2.86Å; S311-E313 VanDerWaalsContact C-N 3.33Å; S311-E313 VanDerWaalsContact OG-CB 3.23Å; S311-E313 WeakPolarHBondContact OG-CB 3.21Å; S311-E313 PolarHBondContact OG-N 2.91Å; S311-E313 VanDerWaalsContact OG-N 3.1Å |
| 314 | P | 98.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 152.8 | 180 | 32.5 | -34.9 | 0 | 0 | 0 | 112.1 | E202 F205 A243 N244 C245 A312 V316 | E202-P314 HydrophobicContact CG-CG 4.28Å; F205-P314 HydrophobicContact CB-CG 3.9Å; F205-P314 HydrophobicContact CD1-CB 3.71Å; F205-P314 HydrophobicContact CD1-CG 3.87Å; F205-P314 HydrophobicContact CD2-CB 4.36Å; F205-P314 HydrophobicContact CD2-CG 4Å; F205-P314 HydrophobicContact CE1-CB 3.79Å; F205-P314 HydrophobicContact CE1-CG 4.37Å; F205-P314 HydrophobicContact CE2-CB 4.43Å; F205-P314 HydrophobicContact CE2-CG 4.49Å; F205-P314 HydrophobicContact CG-CB 4Å; F205-P314 HydrophobicContact CG-CG 3.66Å; F205-P314 HydrophobicContact CZ-CB 4.16Å; A243-P314 HydrophobicContact CB-CB 4.22Å; N244-P314 CarbonylContact O-C 3.58Å; N244-P314 WeakPolarHBondContact O-CA 3.48Å; C245-P314 HydrophobicContact CB-CB 4.37Å; A312-P314 WeakPolarHBondContact O-CD 3.39Å; P314-V316 HydrophobicContact CB-CG2 4.32Å; P314-V316 HydrophobicContact CG-CG2 4.17Å |
| 315 | E | 98.4 | Very high | 96.3 | Very high | 60 Ų | 60 | 49.9 Ų | 49.9 | 28% | 0.28 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 132.7 | 158.2 | -77 | 179.6 | -179.5 | 0 | 0 | 109.7 | A243 N244 H265 R269 R299 | A243-E315 WeakPolarHBondContact CA-O 3.41Å; N244-E315 PolarHBondContact N-O 3.48Å; N244-E315 PolarHBondContact O-N 3.48Å; H265-E315 WeakPolarHBondContact NE2-CG 3.44Å; H265-E315 IonicContact NE2-OE1 3.5Å; H265-E315 IonicContact NE2-OE2 2.69Å; R269-E315 IonicContact CZ-OE1 3.91Å; R269-E315 IonicContact CZ-OE2 3.81Å; R269-E315 IonicContact NH1-OE1 3.53Å; R269-E315 PolarHBondContact NH1-OE1 3.1Å; R269-E315 IonicContact NH1-OE2 3.1Å; R269-E315 PolarHBondContact NH1-OE2 2.85Å; R269-E315 IonicContact NH2-OE1 3.27Å; R269-E315 PolarHBondContact NH2-OE1 3.03Å; R269-E315 IonicContact NH2-OE2 3.73Å; R299-E315 IonicContact CZ-OE1 3.81Å; R299-E315 IonicContact NH2-OE1 3.17Å; R299-E315 PolarHBondContact NH2-OE1 3.05Å |
| 316 | V | 98.1 | Very high | 96.6 | Very high | 20 Ų | 20 | 46 Ų | 46 | 12% | 0.121 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118 | -170.9 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | R198 M201 V241 V242 A243 P314 V318 | R198-V316 HydrophobicContact CB-CB 4.46Å; R198-V316 HydrophobicContact CG-CB 3.91Å; R198-V316 HydrophobicContact CG-CG1 3.97Å; M201-V316 HydrophobicContact CB-CG1 4.29Å; M201-V316 HydrophobicContact CB-CG2 3.54Å; M201-V316 HydrophobicContact CG-CG1 4.12Å; M201-V316 HydrophobicContact CG-CG2 4.19Å; V241-V316 HydrophobicContact CG1-CG1 4.12Å; V242-V316 CarbonylContact O-C 3.5Å; V242-V316 VanDerWaalsContact O-CA 3.26Å; V242-V316 WeakPolarHBondContact O-CA 3.33Å; A243-V316 HydrophobicContact CB-CG2 3.98Å; P314-V316 HydrophobicContact CB-CG2 4.32Å; P314-V316 HydrophobicContact CG-CG2 4.17Å; V316-V318 HydrophobicContact CG1-CG2 4.48Å |
| 317 | T | 97.4 | Very high | 96.8 | Very high | 54 Ų | 54 | 45.9 Ų | 45.9 | 33% | 0.331 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.1 | 177.7 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | V241 V242 L261 | V241-T317 CarbonylContact C-O 3.53Å; V241-T317 WeakPolarHBondContact CA-O 3.49Å; V242-T317 PolarHBondContact N-O 3.01Å; V242-T317 PolarHBondContact O-N 3.3Å; L261-T317 WeakPolarHBondContact O-CB 3.43Å; L261-T317 PolarHBondContact O-OG1 2.87Å |
| 318 | V | 95.3 | Very high | 96.9 | Very high | 38 Ų | 38 | 42.7 Ų | 42.7 | 23% | 0.23 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 109.4 | 174.4 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | W197 H239 V241 V316 | W197-V318 HydrophobicContact CB-CG2 3.75Å; W197-V318 HydrophobicContact CG-CG2 4.33Å; H239-V318 HydrophobicContact CB-CG1 4.18Å; V241-V318 HydrophobicContact CG1-CG2 4.17Å; V241-V318 HydrophobicContact CG2-CG1 4.27Å; V241-V318 HydrophobicContact CG2-CG2 4.29Å; V316-V318 HydrophobicContact CG1-CG2 4.48Å |
| 319 | T | 95.2 | Very high | 97.1 | Very high | 20 Ų | 20 | 38.5 Ų | 38.5 | 12% | 0.123 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.8 | -175.3 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | H239 I240 L252 L261 | H239-T319 CarbonylContact C-O 3.51Å; H239-T319 VanDerWaalsContact CA-O 3.27Å; H239-T319 WeakPolarHBondContact CA-O 3.48Å; I240-T319 PolarHBondContact N-O 3.5Å; I240-T319 PolarHBondContact O-N 3.4Å; L252-T319 HydrophobicContact CD2-CG2 4.43Å; L261-T319 HydrophobicContact CD2-CG2 4.4Å |
| 320 | E | 93.8 | Very high | 97.1 | Very high | 130 Ų | 130 | 36.7 Ų | 36.7 | 61% | 0.607 | 19% | 0.186 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 132.5 | 169.7 | -170.2 | 177.4 | -177.2 | 0 | 0 | 110.6 | R254 | R254-E320 PolarHBondContact NH2-O 2.69Å |
| 321 | R | 94.7 | Very high | 97.2 | Very high | 10 Ų | 10 | 36.6 Ų | 36.6 | 4% | 0.038 | 19% | 0.185 | C | C | . | . | trans | -75.9 | 149.3 | 179.7 | -73 | -176.6 | 70.2 | -170.1 | -2.4 | 111.5 | W106 P107 G236 R238 I240 D325 | W106-R321 VanDerWaalsContact CB-CZ 3.43Å; W106-R321 HydrophobicContact CG-CB 3.96Å; W106-R321 VanDerWaalsContact NE1-C 3.29Å; W106-R321 PolarHBondContact NE1-O 2.78Å; P107-R321 PolarHBondContact O-NH1 3.47Å; P107-R321 PolarHBondContact O-NH2 2.9Å; G236-R321 WeakPolarHBondContact O-CD 3.42Å; G236-R321 PolarHBondContact O-NH1 2.93Å; R238-R321 WeakPolarHBondContact O-CB 3.35Å; R238-R321 PolarHBondContact O-N 2.81Å; I240-R321 HydrophobicContact CD1-CG 3.93Å; I240-R321 HydrophobicContact CG1-CG 3.73Å; R321-D325 VanDerWaalsContact CA-OD2 3.24Å; R321-D325 WeakPolarHBondContact CA-OD2 3.48Å | ||
| 322 | T | 95.2 | Very high | 97.2 | Very high | 40 Ų | 40 | 35.3 Ų | 35.3 | 25% | 0.245 | 18% | 0.176 | C | C | . | . | trans | -135.4 | 161.7 | 177.3 | 77 | 0 | 0 | 0 | 0 | 111.8 | K324 D325 | T322-K324 PolarHBondContact O-N 3.38Å; T322-K324 PolarHBondContact OG1-N 3.12Å; T322-D325 PolarHBondContact N-OD2 2.87Å; T322-D325 WeakPolarHBondContact O-CB 3.44Å; T322-D325 PolarHBondContact O-N 2.9Å; T322-D325 PolarHBondContact OG1-OD1 3.15Å; T322-D325 VanDerWaalsContact OG1-OD1 3.06Å | ||
| 323 | H | 94.2 | Very high | 97.2 | Very high | 112 Ų | 112 | 35.9 Ų | 35.9 | 52% | 0.519 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -13 | 174.1 | 62.1 | -87.2 | 0 | 0 | 0 | 114.3 | W106 K397 | W106-H323 VanDerWaalsContact CH2-CA 3.47Å; W106-H323 HydrophobicContact CH2-CB 3.39Å; W106-H323 HydrophobicContact CZ2-CB 4.31Å; W106-H323 HydrophobicContact CZ3-CB 3.59Å; H323-K397 PolarHBondContact O-NZ 3.15Å |
| 324 | K | 96.3 | Very high | 97.2 | Very high | 117 Ų | 117 | 30.8 Ų | 30.8 | 51% | 0.509 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -12.1 | 178.6 | -61.8 | -177.7 | -178.9 | 173.4 | 0 | 112.3 | R254 G255 T322 E326 | R254-K324 HydrophobicContact CG-CB 3.97Å; G255-K324 PolarHBondContact N-O 3.32Å; T322-K324 PolarHBondContact O-N 3.38Å; T322-K324 PolarHBondContact OG1-N 3.12Å; K324-E326 WeakPolarHBondContact O-CG 3.42Å; K324-E326 PolarHBondContact O-N 2.88Å |
| 325 | D | 97.7 | Very high | 97.2 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 121.6 | -178.9 | -62 | -12.7 | 0 | 0 | 0 | 109.7 | L252 R254 R321 T322 L396 | L252-D325 HydrophobicContact CD1-CB 4.12Å; R254-D325 IonicContact CZ-OD1 2.78Å; R254-D325 IonicContact NE-OD1 3.13Å; R254-D325 PolarHBondContact NE-OD1 3.48Å; R254-D325 IonicContact NH2-OD1 3.86Å; R254-D325 PolarHBondContact NH2-OD1 2.9Å; R254-D325 IonicContact NH2-OD2 2.69Å; R254-D325 PolarHBondContact NH2-OD2 2.98Å; R321-D325 VanDerWaalsContact CA-OD2 3.24Å; R321-D325 WeakPolarHBondContact CA-OD2 3.48Å; T322-D325 PolarHBondContact N-OD2 2.87Å; T322-D325 WeakPolarHBondContact O-CB 3.44Å; T322-D325 PolarHBondContact O-N 2.9Å; T322-D325 PolarHBondContact OG1-OD1 3.15Å; T322-D325 VanDerWaalsContact OG1-OD1 3.06Å; D325-L396 HydrophobicContact CB-CD1 3.77Å |
| 326 | E | 97.6 | Very high | 97.2 | Very high | 14 Ų | 14 | 28.3 Ų | 28.3 | 7% | 0.065 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -55.4 | -173.9 | -58.6 | -169 | 154.8 | 0 | 0 | 110.9 | S253 K324 R349 L396 K397 L399 | S253-E326 PolarHBondContact O-N 3.12Å; S253-E326 PolarHBondContact OG-OE2 3.1Å; K324-E326 WeakPolarHBondContact O-CG 3.42Å; K324-E326 PolarHBondContact O-N 2.88Å; E326-R349 IonicContact OE1-CZ 3.74Å; E326-R349 IonicContact OE1-NE 3.37Å; E326-R349 PolarHBondContact OE1-NE 3.13Å; E326-R349 VanDerWaalsContact OE1-NE 3.17Å; E326-R349 IonicContact OE1-NH2 3.83Å; E326-R349 PolarHBondContact OE1-NH2 2.88Å; E326-R349 VanDerWaalsContact OE2-CD 3.24Å; E326-R349 WeakPolarHBondContact OE2-CD 3.49Å; E326-R349 IonicContact OE2-CZ 3.98Å; E326-R349 IonicContact OE2-NE 3.34Å; E326-R349 PolarHBondContact OE2-NE 2.76Å; E326-R349 IonicContact OE2-NH2 2.76Å; E326-L396 PolarHBondContact O-N 3.07Å; E326-K397 PolarHBondContact O-N 3.09Å; E326-K397 VanDerWaalsContact O-N 3.13Å; E326-L399 HydrophobicContact CB-CD1 4.35Å; E326-L399 HydrophobicContact CB-CD2 4.06Å; E326-L399 HydrophobicContact CG-CD2 3.86Å |
| 327 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 164.4 | -179.3 | 55.3 | -91.4 | 0 | 0 | 0 | 111.2 | S253 I329 C345 A348 R349 L352 V394 L399 | S253-F327 VanDerWaalsContact CB-CE2 3.48Å; S253-F327 PolarHBondContact N-O 3.04Å; F327-I329 HydrophobicContact CD2-CD1 4.36Å; F327-I329 HydrophobicContact CD2-CG1 3.93Å; F327-I329 HydrophobicContact CE2-CD1 3.85Å; F327-I329 HydrophobicContact CE2-CG1 3.93Å; F327-C345 HydrophobicContact CZ-CB 4.34Å; F327-C345 WeakPolarHBondContact CZ-O 3.22Å; F327-A348 HydrophobicContact CD2-CB 4.21Å; F327-A348 HydrophobicContact CE2-CB 3.62Å; F327-A348 HydrophobicContact CZ-CB 3.86Å; F327-R349 HydrophobicContact CE1-CB 3.76Å; F327-R349 HydrophobicContact CE1-CG 4.16Å; F327-R349 HydrophobicContact CZ-CB 3.96Å; F327-L352 HydrophobicContact CB-CD1 3.88Å; F327-L352 HydrophobicContact CD1-CD1 3.43Å; F327-L352 VanDerWaalsContact CD1-CD1 3.43Å; F327-L352 HydrophobicContact CD2-CD1 4.41Å; F327-L352 HydrophobicContact CE1-CD1 4.1Å; F327-L352 HydrophobicContact CG-CD1 3.63Å; F327-V394 CarbonylContact C-O 3.46Å; F327-V394 WeakPolarHBondContact CA-O 3.48Å; F327-V394 WeakPolarHBondContact CB-O 3.39Å; F327-L399 HydrophobicContact CD1-CD1 4.31Å; F327-L399 HydrophobicContact CE1-CD1 4.3Å |
| 328 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 143.2 | 172.3 | -51.7 | 165.9 | 0 | 0 | 0 | 108.4 | V235 I240 V251 L252 L330 V393 V394 L396 | V235-I328 HydrophobicContact CG2-CD1 3.69Å; I240-I328 HydrophobicContact CD1-CD1 3.93Å; I240-I328 HydrophobicContact CD1-CG1 4.43Å; I240-I328 HydrophobicContact CG1-CD1 4.09Å; I240-I328 HydrophobicContact CG2-CD1 3.74Å; V251-I328 CarbonylContact O-C 3.56Å; V251-I328 WeakPolarHBondContact O-CA 3.31Å; L252-I328 HydrophobicContact CD1-CG1 4.05Å; I328-L330 HydrophobicContact CG2-CD1 3.83Å; I328-V393 CarbonylContact O-C 3.54Å; I328-V393 WeakPolarHBondContact O-CA 3.4Å; I328-V394 HydrophobicContact CB-CB 4.28Å; I328-V394 PolarHBondContact N-O 2.86Å; I328-V394 PolarHBondContact O-N 3.09Å; I328-L396 HydrophobicContact CD1-CD1 4.16Å; I328-L396 HydrophobicContact CD1-CD2 4.32Å; I328-L396 HydrophobicContact CG1-CD1 3.91Å; I328-L396 HydrophobicContact CG1-CG 4.38Å |
| 329 | I | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124.1 | 169.3 | -54.1 | 174.3 | 0 | 0 | 0 | 107.6 | A250 V251 F327 L335 W336 A344 A348 L376 V391 V392 V393 | A250-I329 CarbonylContact C-O 3.42Å; A250-I329 WeakPolarHBondContact CA-O 3.38Å; V251-I329 PolarHBondContact N-O 3.46Å; V251-I329 PolarHBondContact O-N 3.45Å; F327-I329 HydrophobicContact CD2-CD1 4.36Å; F327-I329 HydrophobicContact CD2-CG1 3.93Å; F327-I329 HydrophobicContact CE2-CD1 3.85Å; F327-I329 HydrophobicContact CE2-CG1 3.93Å; I329-L335 HydrophobicContact CG2-CD2 4.16Å; I329-W336 HydrophobicContact CB-CH2 4.2Å; I329-W336 HydrophobicContact CB-CZ2 4.49Å; I329-W336 HydrophobicContact CG2-CH2 3.79Å; I329-W336 HydrophobicContact CG2-CZ2 3.88Å; I329-A344 HydrophobicContact CD1-CB 3.95Å; I329-A348 HydrophobicContact CD1-CB 3.87Å; I329-A348 HydrophobicContact CG1-CB 4.49Å; I329-L376 HydrophobicContact CD1-CD1 4.02Å; I329-L376 HydrophobicContact CG1-CD1 4.42Å; I329-L376 HydrophobicContact CG2-CD1 4.09Å; I329-V391 HydrophobicContact CG2-CG1 4.05Å; I329-V392 CarbonylContact C-O 3.42Å; I329-V392 WeakPolarHBondContact CA-O 3.45Å; I329-V393 HydrophobicContact CG1-CG2 4.48Å |
| 330 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 142 | 163.4 | -61.5 | 79.2 | 0 | 0 | 0 | 107.3 | F156 V158 V231 A233 R249 A250 I328 V391 V392 | F156-L330 HydrophobicContact CB-CD1 4.33Å; F156-L330 HydrophobicContact CB-CD2 4.37Å; V158-L330 HydrophobicContact CG2-CB 3.85Å; V231-L330 HydrophobicContact CG1-CB 4.31Å; V231-L330 HydrophobicContact CG1-CD2 4.31Å; A233-L330 HydrophobicContact CB-CD1 4.12Å; A233-L330 HydrophobicContact CB-CD2 3.95Å; A233-L330 HydrophobicContact CB-CG 4.45Å; R249-L330 WeakPolarHBondContact O-CA 3.46Å; A250-L330 HydrophobicContact CB-CG 4.25Å; I328-L330 HydrophobicContact CG2-CD1 3.83Å; L330-V391 CarbonylContact O-C 3.58Å; L330-V391 WeakPolarHBondContact O-CA 3.43Å; L330-V392 HydrophobicContact CB-CB 4.28Å; L330-V392 HydrophobicContact CD1-CB 4.46Å; L330-V392 PolarHBondContact N-O 3.45Å; L330-V392 PolarHBondContact O-N 3.37Å |
| 331 | G | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 158.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S248 R249 W336 S390 | S248-G331 WeakPolarHBondContact CA-O 3.37Å; S248-G331 WeakPolarHBondContact CB-O 3.43Å; R249-G331 PolarHBondContact N-O 3.02Å; R249-G331 PolarHBondContact O-N 2.97Å; G331-W336 VanDerWaalsContact C-NE1 3.29Å; G331-W336 VanDerWaalsContact O-CD1 3.3Å; G331-W336 PolarHBondContact O-NE1 2.68Å; G331-S390 CarbonylContact C-O 3.58Å; G331-S390 WeakPolarHBondContact CA-O 3.27Å |
| 332 | S | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -72.2 | 167.7 | 168.3 | 45.3 | 0 | 0 | 0 | 0 | 111.2 | D126 D160 G334 L335 S390 | D126-S332 PolarHBondContact OD2-OG 3.26Å; D160-S332 WeakPolarHBondContact OD2-CB 3.5Å; S332-G334 PolarHBondContact O-N 3.46Å; S332-L335 PolarHBondContact O-N 2.72Å; S332-S390 PolarHBondContact N-O 3.29Å; S332-S390 VanDerWaalsContact N-O 3.07Å; S332-S390 PolarHBondContact OG-N 3.25Å | ||
| 333 | D | 98 | Very high | 97.6 | Very high | 22 Ų | 22 | 25.7 Ų | 25.7 | 12% | 0.118 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.2 | -24.2 | -179.3 | 73.5 | -3.3 | 0 | 0 | 0 | 112.2 | D160 L335 W336 D337 | D160-D333 PolarHBondContact OD2-N 3.42Å; D333-L335 CarbonylContact O-C 3.43Å; D333-L335 PolarHBondContact O-N 3.2Å; D333-W336 PolarHBondContact O-N 3.46Å; D333-D337 VanDerWaalsContact O-CB 3.3Å; D333-D337 WeakPolarHBondContact O-CB 3.17Å; D333-D337 PolarHBondContact O-N 3.11Å |
| 334 | G | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55.7 | -20.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S332 S385 N388 | S332-G334 PolarHBondContact O-N 3.46Å; G334-S385 VanDerWaalsContact O-CB 3.3Å; G334-S385 WeakPolarHBondContact O-CB 3.27Å; G334-S385 PolarHBondContact O-OG 3.26Å; G334-N388 WeakPolarHBondContact CA-O 3.44Å |
| 335 | L | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -86.9 | -53.8 | 164.6 | 175.7 | 66.4 | 0 | 0 | 0 | 111.6 | I329 S332 D333 V338 M339 L376 A380 I389 V391 | I329-L335 HydrophobicContact CG2-CD2 4.16Å; S332-L335 PolarHBondContact O-N 2.72Å; D333-L335 CarbonylContact O-C 3.43Å; D333-L335 PolarHBondContact O-N 3.2Å; L335-V338 WeakPolarHBondContact O-CG2 3.44Å; L335-V338 PolarHBondContact O-N 3.44Å; L335-M339 HydrophobicContact CD1-CB 4.41Å; L335-M339 HydrophobicContact CD1-CE 4.47Å; L335-M339 HydrophobicContact CD1-CG 4.41Å; L335-M339 HydrophobicContact CD1-SD 3.52Å; L335-M339 VanDerWaalsContact CD1-SD 3.52Å; L335-M339 WeakPolarHBondContact O-CB 3.48Å; L335-M339 PolarHBondContact O-N 2.92Å; L335-M339 VanDerWaalsContact O-N 3.1Å; L335-L376 HydrophobicContact CD1-CB 4.28Å; L335-A380 HydrophobicContact CD1-CB 4.07Å; L335-I389 HydrophobicContact CB-CG2 4.34Å; L335-V391 HydrophobicContact CB-CG2 4.26Å; L335-V391 HydrophobicContact CD1-CG2 4.37Å; L335-V391 HydrophobicContact CD2-CG1 4.32Å; L335-V391 HydrophobicContact CD2-CG2 3.86Å; L335-V391 HydrophobicContact CG-CG2 4.38Å |
| 336 | W | 98.5 | Very high | 97.7 | Very high | 12 Ų | 12 | 17.2 Ų | 17.2 | 5% | 0.045 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -75.1 | -25.8 | -164.7 | -57.6 | 117.8 | 0 | 0 | 0 | 114.5 | R249 V251 I329 G331 D333 V338 M339 A344 | R249-W336 HydrophobicContact CB-CD2 4.21Å; R249-W336 HydrophobicContact CB-CG 4.14Å; R249-W336 HydrophobicContact CB-CZ2 4.38Å; R249-W336 PolarHBondContact O-NE1 3.44Å; V251-W336 HydrophobicContact CB-CH2 4.16Å; V251-W336 HydrophobicContact CG2-CH2 3.63Å; V251-W336 HydrophobicContact CG2-CZ2 4.13Å; V251-W336 HydrophobicContact CG2-CZ3 4.07Å; I329-W336 HydrophobicContact CB-CH2 4.2Å; I329-W336 HydrophobicContact CB-CZ2 4.49Å; I329-W336 HydrophobicContact CG2-CH2 3.79Å; I329-W336 HydrophobicContact CG2-CZ2 3.88Å; G331-W336 VanDerWaalsContact C-NE1 3.29Å; G331-W336 VanDerWaalsContact O-CD1 3.3Å; G331-W336 PolarHBondContact O-NE1 2.68Å; D333-W336 PolarHBondContact O-N 3.46Å; W336-V338 PolarHBondContact O-N 3.17Å; W336-M339 PolarHBondContact O-N 3.1Å; W336-A344 HydrophobicContact CH2-CB 4.15Å; W336-A344 HydrophobicContact CZ3-CB 3.68Å |
| 337 | D | 96.5 | Very high | 97.6 | Very high | 100 Ų | 100 | 16.7 Ų | 16.7 | 54% | 0.535 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -27.2 | 175.4 | -85.6 | 6.4 | 0 | 0 | 0 | 112.4 | D333 | D333-D337 VanDerWaalsContact O-CB 3.3Å; D333-D337 WeakPolarHBondContact O-CB 3.17Å; D333-D337 PolarHBondContact O-N 3.11Å |
| 338 | V | 96.7 | Very high | 97.5 | Very high | 23 Ų | 23 | 16.7 Ų | 16.7 | 14% | 0.139 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -10.9 | -178.8 | -64.3 | 0 | 0 | 0 | 0 | 113.3 | L335 W336 A380 R383 | L335-V338 WeakPolarHBondContact O-CG2 3.44Å; L335-V338 PolarHBondContact O-N 3.44Å; W336-V338 PolarHBondContact O-N 3.17Å; V338-A380 HydrophobicContact CG2-CB 3.72Å; V338-R383 HydrophobicContact CB-CB 4Å; V338-R383 HydrophobicContact CG2-CB 4.35Å; V338-R383 PolarHBondContact O-NE 2.98Å; V338-R383 PolarHBondContact O-NH2 3.45Å |
| 339 | M | 94.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | trans | -135.2 | 125.3 | -177 | -67.8 | -179.1 | 64.9 | 0 | 0 | 112.5 | L335 W336 V343 A344 V347 L376 F379 A380 | L335-M339 HydrophobicContact CD1-CB 4.41Å; L335-M339 HydrophobicContact CD1-CE 4.47Å; L335-M339 HydrophobicContact CD1-CG 4.41Å; L335-M339 HydrophobicContact CD1-SD 3.52Å; L335-M339 VanDerWaalsContact CD1-SD 3.52Å; L335-M339 WeakPolarHBondContact O-CB 3.48Å; L335-M339 PolarHBondContact O-N 2.92Å; L335-M339 VanDerWaalsContact O-N 3.1Å; W336-M339 PolarHBondContact O-N 3.1Å; M339-V343 HydrophobicContact CE-CB 4.2Å; M339-V343 HydrophobicContact CE-CG1 3.94Å; M339-A344 HydrophobicContact CE-CB 4.28Å; M339-V347 HydrophobicContact CE-CG2 4.28Å; M339-L376 HydrophobicContact CE-CD2 3.79Å; M339-F379 HydrophobicContact CE-CB 4.37Å; M339-F379 HydrophobicContact CE-CD1 3.52Å; M339-F379 HydrophobicContact CE-CE1 3.9Å; M339-F379 HydrophobicContact CE-CG 4.08Å; M339-F379 HydrophobicContact CG-CD1 3.97Å; M339-F379 HydrophobicContact CG-CE1 4.29Å; M339-F379 HydrophobicContact SD-CB 4.05Å; M339-F379 HydrophobicContact SD-CD1 3.4Å; M339-F379 WeakPolarHBondContact SD-CD1 3.3Å; M339-F379 HydrophobicContact SD-CE1 4.16Å; M339-F379 HydrophobicContact SD-CG 4.09Å; M339-A380 HydrophobicContact SD-CB 4.26Å | ||
| 340 | S | 97.6 | Very high | 97.1 | Very high | 19 Ų | 19 | 22.4 Ų | 22.4 | 13% | 0.133 | 11% | 0.109 | C | C | . | . | trans | -69.7 | 160.9 | 169.6 | 91.6 | 0 | 0 | 0 | 0 | 112.1 | E342 V343 A344 | S340-E342 VanDerWaalsContact CB-OE2 3.29Å; S340-E342 WeakPolarHBondContact CB-OE2 3.14Å; S340-E342 PolarHBondContact O-N 3.05Å; S340-E342 PolarHBondContact OG-N 2.53Å; S340-E342 PolarHBondContact OG-OE2 3.27Å; S340-V343 PolarHBondContact O-N 3.03Å; S340-V343 VanDerWaalsContact O-N 3.08Å; S340-V343 VanDerWaalsContact OG-CG2 3.23Å; S340-V343 WeakPolarHBondContact OG-CG2 3.39Å; S340-V343 PolarHBondContact OG-N 3.18Å; S340-A344 PolarHBondContact O-N 3.03Å | ||
| 341 | N | 98.3 | Very high | 96.8 | Very high | 24 Ų | 24 | 22.4 Ų | 22.4 | 13% | 0.128 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -55.8 | -39.8 | 178.1 | -60.9 | -22.4 | 0 | 0 | 0 | 112 | R249 V251 P258 A344 C345 | R249-N341 PolarHBondContact NH1-OD1 2.86Å; V251-N341 HydrophobicContact CG1-CB 4.19Å; V251-N341 HydrophobicContact CG2-CB 4.35Å; V251-N341 WeakPolarHBondContact CG2-OD1 3.39Å; P258-N341 HydrophobicContact CB-CB 3.89Å; P258-N341 HydrophobicContact CG-CB 4.39Å; N341-A344 PolarHBondContact O-N 3.36Å; N341-C345 WeakPolarHBondContact O-CB 3.49Å; N341-C345 PolarHBondContact O-N 3.08Å; N341-C345 PolarHBondContact O-SG 2.66Å |
| 342 | E | 97.9 | Very high | 96.7 | Very high | 87 Ų | 87 | 22.6 Ų | 22.6 | 41% | 0.407 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -64 | -42.9 | 178 | -59.5 | 65.1 | -140.6 | 0 | 0 | 111.2 | P258 S340 K346 | P258-E342 HydrophobicContact CG-CB 4.48Å; P258-E342 HydrophobicContact CG-CG 3.94Å; S340-E342 VanDerWaalsContact CB-OE2 3.29Å; S340-E342 WeakPolarHBondContact CB-OE2 3.14Å; S340-E342 PolarHBondContact O-N 3.05Å; S340-E342 PolarHBondContact OG-N 2.53Å; S340-E342 PolarHBondContact OG-OE2 3.27Å; E342-K346 WeakPolarHBondContact O-CB 3.43Å; E342-K346 PolarHBondContact O-N 2.69Å |
| 343 | V | 96.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.5 | -50.4 | 178.3 | -160.6 | 0 | 0 | 0 | 0 | 110 | P33 M339 S340 C345 K346 V347 F379 | P33-V343 HydrophobicContact CG-CB 3.96Å; P33-V343 HydrophobicContact CG-CG1 3.73Å; P33-V343 HydrophobicContact CG-CG2 3.23Å; M339-V343 HydrophobicContact CE-CB 4.2Å; M339-V343 HydrophobicContact CE-CG1 3.94Å; S340-V343 PolarHBondContact O-N 3.03Å; S340-V343 VanDerWaalsContact O-N 3.08Å; S340-V343 VanDerWaalsContact OG-CG2 3.23Å; S340-V343 WeakPolarHBondContact OG-CG2 3.39Å; S340-V343 PolarHBondContact OG-N 3.18Å; V343-C345 PolarHBondContact O-N 2.78Å; V343-K346 PolarHBondContact O-N 2.77Å; V343-V347 HydrophobicContact CG1-CG2 4.3Å; V343-V347 WeakPolarHBondContact O-CB 3.14Å; V343-V347 VanDerWaalsContact O-CG2 3.3Å; V343-V347 WeakPolarHBondContact O-CG2 3.07Å; V343-V347 PolarHBondContact O-N 3.49Å; V343-F379 HydrophobicContact CG1-CE1 3.72Å; V343-F379 HydrophobicContact CG1-CZ 3.85Å |
| 344 | A | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.6 | -49.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I329 W336 M339 S340 N341 K346 V347 A348 L376 | I329-A344 HydrophobicContact CD1-CB 3.95Å; W336-A344 HydrophobicContact CH2-CB 4.15Å; W336-A344 HydrophobicContact CZ3-CB 3.68Å; M339-A344 HydrophobicContact CE-CB 4.28Å; S340-A344 PolarHBondContact O-N 3.03Å; N341-A344 PolarHBondContact O-N 3.36Å; A344-K346 PolarHBondContact O-N 3.47Å; A344-V347 PolarHBondContact O-N 2.7Å; A344-A348 WeakPolarHBondContact O-CB 3.48Å; A344-A348 PolarHBondContact O-N 2.63Å; A344-L376 HydrophobicContact CB-CD2 4.06Å |
| 345 | C | 97.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.02 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 176.2 | -78 | 0 | 0 | 0 | 0 | 112.1 | P258 F327 N341 V343 V347 R349 | P258-C345 HydrophobicContact CB-CB 4.38Å; F327-C345 HydrophobicContact CZ-CB 4.34Å; F327-C345 WeakPolarHBondContact CZ-O 3.22Å; N341-C345 WeakPolarHBondContact O-CB 3.49Å; N341-C345 PolarHBondContact O-N 3.08Å; N341-C345 PolarHBondContact O-SG 2.66Å; V343-C345 PolarHBondContact O-N 2.78Å; C345-V347 PolarHBondContact O-N 2.91Å; C345-R349 WeakPolarHBondContact O-CB 3.26Å; C345-R349 PolarHBondContact O-N 3.08Å |
| 346 | K | 95.7 | Very high | 95.1 | Very high | 54 Ų | 54 | 27.6 Ų | 27.6 | 24% | 0.235 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.5 | -41.2 | 179.2 | -177.2 | -177.4 | -179.5 | -168.4 | 0 | 112.6 | P33 T34 P35 T38 E342 V343 A344 N350 | P33-K346 PolarHBondContact O-NZ 3.04Å; T34-K346 VanDerWaalsContact C-NZ 3.34Å; T34-K346 PolarHBondContact O-NZ 3.22Å; P35-K346 VanDerWaalsContact N-NZ 3.16Å; T38-K346 HydrophobicContact CG2-CD 4.5Å; T38-K346 WeakPolarHBondContact OG1-CE 3.4Å; T38-K346 PolarHBondContact OG1-NZ 2.94Å; E342-K346 WeakPolarHBondContact O-CB 3.43Å; E342-K346 PolarHBondContact O-N 2.69Å; V343-K346 PolarHBondContact O-N 2.77Å; A344-K346 PolarHBondContact O-N 3.47Å; K346-N350 WeakPolarHBondContact O-CB 3.11Å; K346-N350 VanDerWaalsContact O-CG 3.24Å; K346-N350 PolarHBondContact O-N 3.24Å; K346-N350 PolarHBondContact O-ND2 3.17Å |
| 347 | V | 94.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.4 | -52.8 | 177 | 170.2 | 0 | 0 | 0 | 0 | 110.3 | T38 M339 V343 A344 C345 R349 N350 C351 V375 L376 F379 | T38-V347 HydrophobicContact CG2-CG2 3.69Å; M339-V347 HydrophobicContact CE-CG2 4.28Å; V343-V347 HydrophobicContact CG1-CG2 4.3Å; V343-V347 WeakPolarHBondContact O-CB 3.14Å; V343-V347 VanDerWaalsContact O-CG2 3.3Å; V343-V347 WeakPolarHBondContact O-CG2 3.07Å; V343-V347 PolarHBondContact O-N 3.49Å; A344-V347 PolarHBondContact O-N 2.7Å; C345-V347 PolarHBondContact O-N 2.91Å; V347-R349 PolarHBondContact O-N 3.01Å; V347-N350 PolarHBondContact O-N 3.41Å; V347-C351 PolarHBondContact O-N 3.02Å; V347-V375 HydrophobicContact CG1-CG1 3.57Å; V347-L376 HydrophobicContact CB-CD2 3.97Å; V347-L376 HydrophobicContact CG1-CD2 3.84Å; V347-L376 HydrophobicContact CG1-CG 4.35Å; V347-F379 HydrophobicContact CG2-CD2 3.97Å; V347-F379 HydrophobicContact CG2-CE2 3.82Å; V347-F379 HydrophobicContact CG2-CZ 4.22Å |
| 348 | A | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.1 | -47 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F327 I329 A344 N350 C351 L352 A372 L376 | F327-A348 HydrophobicContact CD2-CB 4.21Å; F327-A348 HydrophobicContact CE2-CB 3.62Å; F327-A348 HydrophobicContact CZ-CB 3.86Å; I329-A348 HydrophobicContact CD1-CB 3.87Å; I329-A348 HydrophobicContact CG1-CB 4.49Å; A344-A348 WeakPolarHBondContact O-CB 3.48Å; A344-A348 PolarHBondContact O-N 2.63Å; A348-N350 PolarHBondContact O-N 3.42Å; A348-C351 WeakPolarHBondContact O-CB 3.49Å; A348-C351 PolarHBondContact O-N 3.27Å; A348-C351 VanDerWaalsContact O-N 3.15Å; A348-L352 WeakPolarHBondContact O-CB 3.22Å; A348-L352 WeakPolarHBondContact O-CG 3.3Å; A348-L352 PolarHBondContact O-N 3.46Å; A348-A372 HydrophobicContact CB-CB 4.46Å; A348-L376 HydrophobicContact CB-CD1 4.3Å |
| 349 | R | 95.6 | Very high | 93.5 | Very high | 103 Ų | 103 | 31.3 Ų | 31.3 | 39% | 0.389 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 177.9 | -166.8 | 178.1 | -167.9 | -116.2 | 2 | 112.9 | E326 F327 C345 V347 C351 L352 C353 L399 | E326-R349 IonicContact OE1-CZ 3.74Å; E326-R349 IonicContact OE1-NE 3.37Å; E326-R349 PolarHBondContact OE1-NE 3.13Å; E326-R349 VanDerWaalsContact OE1-NE 3.17Å; E326-R349 IonicContact OE1-NH2 3.83Å; E326-R349 PolarHBondContact OE1-NH2 2.88Å; E326-R349 VanDerWaalsContact OE2-CD 3.24Å; E326-R349 WeakPolarHBondContact OE2-CD 3.49Å; E326-R349 IonicContact OE2-CZ 3.98Å; E326-R349 IonicContact OE2-NE 3.34Å; E326-R349 PolarHBondContact OE2-NE 2.76Å; E326-R349 IonicContact OE2-NH2 2.76Å; F327-R349 HydrophobicContact CE1-CB 3.76Å; F327-R349 HydrophobicContact CE1-CG 4.16Å; F327-R349 HydrophobicContact CZ-CB 3.96Å; C345-R349 WeakPolarHBondContact O-CB 3.26Å; C345-R349 PolarHBondContact O-N 3.08Å; V347-R349 PolarHBondContact O-N 3.01Å; R349-C351 VanDerWaalsContact C-N 3.28Å; R349-C351 PolarHBondContact O-N 3.39Å; R349-L352 PolarHBondContact O-N 2.77Å; R349-C353 WeakPolarHBondContact O-CB 3.29Å; R349-C353 PolarHBondContact O-N 3.38Å; R349-C353 PolarHBondContact O-SG 3.5Å; R349-L399 HydrophobicContact CG-CD1 3.75Å |
| 350 | N | 93.4 | Very high | 93.1 | Very high | 18 Ų | 18 | 32.5 Ų | 32.5 | 10% | 0.096 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.9 | -34.3 | 176.7 | -79.9 | -26.9 | 0 | 0 | 0 | 112 | K346 V347 A348 R355 A356 | K346-N350 WeakPolarHBondContact O-CB 3.11Å; K346-N350 VanDerWaalsContact O-CG 3.24Å; K346-N350 PolarHBondContact O-N 3.24Å; K346-N350 PolarHBondContact O-ND2 3.17Å; V347-N350 PolarHBondContact O-N 3.41Å; A348-N350 PolarHBondContact O-N 3.42Å; N350-R355 WeakPolarHBondContact O-CB 3.21Å; N350-R355 PolarHBondContact O-N 3.1Å; N350-R355 VanDerWaalsContact O-N 3.11Å; N350-R355 WeakPolarHBondContact OD1-CD 3.42Å; N350-A356 PolarHBondContact O-N 2.99Å |
| 351 | C | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.6 | -56.4 | 172.8 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | V347 A348 R349 C353 G354 A356 S367 D371 A372 | V347-C351 PolarHBondContact O-N 3.02Å; A348-C351 WeakPolarHBondContact O-CB 3.49Å; A348-C351 PolarHBondContact O-N 3.27Å; A348-C351 VanDerWaalsContact O-N 3.15Å; R349-C351 VanDerWaalsContact C-N 3.28Å; R349-C351 PolarHBondContact O-N 3.39Å; C351-C353 VanDerWaalsContact C-N 3.33Å; C351-C353 PolarHBondContact O-N 2.8Å; C351-G354 WeakPolarHBondContact O-CA 3.23Å; C351-G354 PolarHBondContact O-N 2.92Å; C351-A356 HydrophobicContact CB-CB 4.48Å; C351-S367 WeakPolarHBondContact O-CA 3.3Å; C351-S367 VanDerWaalsContact O-CB 3.27Å; C351-S367 WeakPolarHBondContact O-CB 3.39Å; C351-D371 VanDerWaalsContact SG-C 3.55Å; C351-D371 VanDerWaalsContact SG-CB 3.55Å; C351-A372 HydrophobicContact CB-CB 4.01Å; C351-A372 VanDerWaalsContact SG-CA 3.59Å; C351-A372 PolarHBondContact SG-N 3.19Å; C351-A372 VanDerWaalsContact SG-N 3.38Å |
| 352 | L | 95.3 | Very high | 91.7 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.8 | -34.3 | -175.9 | -71.4 | 170.4 | 0 | 0 | 0 | 114 | F327 A348 R349 G354 A369 A372 V393 E395 L399 | F327-L352 HydrophobicContact CB-CD1 3.88Å; F327-L352 HydrophobicContact CD1-CD1 3.43Å; F327-L352 VanDerWaalsContact CD1-CD1 3.43Å; F327-L352 HydrophobicContact CD2-CD1 4.41Å; F327-L352 HydrophobicContact CE1-CD1 4.1Å; F327-L352 HydrophobicContact CG-CD1 3.63Å; A348-L352 WeakPolarHBondContact O-CB 3.22Å; A348-L352 WeakPolarHBondContact O-CG 3.3Å; A348-L352 PolarHBondContact O-N 3.46Å; R349-L352 PolarHBondContact O-N 2.77Å; L352-G354 PolarHBondContact O-N 3.31Å; L352-A369 HydrophobicContact CD2-CB 4.44Å; L352-A372 HydrophobicContact CD2-CB 4.27Å; L352-A372 HydrophobicContact CG-CB 4.09Å; L352-V393 HydrophobicContact CD1-CG1 4.33Å; L352-E395 HydrophobicContact CD2-CB 4.37Å; L352-E395 HydrophobicContact CD2-CG 4.21Å; L352-L399 HydrophobicContact CB-CD1 4.13Å |
| 353 | C | 93.8 | Very high | 90.7 | Very high | 19 Ų | 19 | 36.5 Ų | 36.5 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -2.9 | 175.8 | 72.6 | 0 | 0 | 0 | 0 | 114 | R349 C351 R355 L399 W401 | R349-C353 WeakPolarHBondContact O-CB 3.29Å; R349-C353 PolarHBondContact O-N 3.38Å; R349-C353 PolarHBondContact O-SG 3.5Å; C351-C353 VanDerWaalsContact C-N 3.33Å; C351-C353 PolarHBondContact O-N 2.8Å; C353-R355 VanDerWaalsContact C-N 3.31Å; C353-R355 PolarHBondContact O-N 2.97Å; C353-R355 VanDerWaalsContact SG-CB 3.56Å; C353-L399 HydrophobicContact CB-CB 3.91Å; C353-W401 HydrophobicContact CB-CB 4.38Å; C353-W401 VanDerWaalsContact O-CB 3.25Å; C353-W401 WeakPolarHBondContact O-CB 3.37Å; C353-W401 PolarHBondContact O-N 3.02Å |
| 354 | G | 91.4 | Very high | 89.9 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -0.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | C351 L352 A356 A357 S358 | C351-G354 WeakPolarHBondContact O-CA 3.23Å; C351-G354 PolarHBondContact O-N 2.92Å; L352-G354 PolarHBondContact O-N 3.31Å; G354-A356 VanDerWaalsContact C-N 3.35Å; G354-A356 PolarHBondContact O-N 2.67Å; G354-A357 PolarHBondContact O-N 2.98Å; G354-S358 WeakPolarHBondContact O-CB 3.41Å; G354-S358 PolarHBondContact O-N 2.75Å |
| 355 | R | 89.6 | Confident | 88.9 | Confident | 86 Ų | 86 | 43.7 Ų | 43.7 | 33% | 0.325 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.3 | -42 | 179 | -172.1 | -166.6 | -172.8 | 162 | -0.3 | 111.7 | N350 C353 S358 K359 W401 | N350-R355 WeakPolarHBondContact O-CB 3.21Å; N350-R355 PolarHBondContact O-N 3.1Å; N350-R355 VanDerWaalsContact O-N 3.11Å; N350-R355 WeakPolarHBondContact OD1-CD 3.42Å; C353-R355 VanDerWaalsContact C-N 3.31Å; C353-R355 PolarHBondContact O-N 2.97Å; C353-R355 VanDerWaalsContact SG-CB 3.56Å; R355-S358 PolarHBondContact O-N 3.37Å; R355-K359 WeakPolarHBondContact O-CB 3.39Å; R355-K359 PolarHBondContact O-N 2.8Å; R355-W401 HydrophobicContact CB-CD2 4.04Å; R355-W401 HydrophobicContact CB-CE3 3.87Å; R355-W401 HydrophobicContact CB-CZ3 4.28Å; R355-W401 VanDerWaalsContact CD-CZ3 3.41Å; R355-W401 HydrophobicContact CG-CD2 4.1Å; R355-W401 HydrophobicContact CG-CE3 3.98Å; R355-W401 HydrophobicContact CG-CH2 4.03Å; R355-W401 HydrophobicContact CG-CZ2 4.08Å; R355-W401 HydrophobicContact CG-CZ3 3.97Å; R355-W401 VanDerWaalsContact NE-CH2 3.3Å |
| 356 | A | 85.3 | Confident | 88.2 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.3 | -45 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | N350 C351 G354 S358 K359 Y360 V364 | N350-A356 PolarHBondContact O-N 2.99Å; C351-A356 HydrophobicContact CB-CB 4.48Å; G354-A356 VanDerWaalsContact C-N 3.35Å; G354-A356 PolarHBondContact O-N 2.67Å; A356-S358 VanDerWaalsContact C-N 3.35Å; A356-S358 PolarHBondContact O-N 3.27Å; A356-K359 PolarHBondContact O-N 3.11Å; A356-Y360 PolarHBondContact O-N 3.03Å; A356-V364 HydrophobicContact CB-CB 4.31Å; A356-V364 HydrophobicContact CB-CG1 3.99Å; A356-V364 HydrophobicContact CB-CG2 4.11Å |
| 357 | A | 85.4 | Confident | 88 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -41.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | G354 K359 P361 V364 | G354-A357 PolarHBondContact O-N 2.98Å; A357-K359 VanDerWaalsContact C-N 3.34Å; A357-K359 PolarHBondContact O-N 3.24Å; A357-P361 VanDerWaalsContact O-CA 3.23Å; A357-P361 WeakPolarHBondContact O-CA 3.47Å; A357-P361 WeakPolarHBondContact O-CB 3.3Å; A357-P361 WeakPolarHBondContact O-CD 3.42Å; A357-V364 WeakPolarHBondContact CA-O 3.41Å; A357-V364 HydrophobicContact CB-CG1 4.2Å |
| 358 | S | 87.8 | Confident | 87.9 | Confident | 98 Ų | 98 | 46.1 Ų | 46.1 | 69% | 0.685 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65 | -36.3 | 176.9 | 177.6 | 0 | 0 | 0 | 0 | 113.1 | G354 R355 A356 | G354-S358 WeakPolarHBondContact O-CB 3.41Å; G354-S358 PolarHBondContact O-N 2.75Å; R355-S358 PolarHBondContact O-N 3.37Å; A356-S358 VanDerWaalsContact C-N 3.35Å; A356-S358 PolarHBondContact O-N 3.27Å |
| 359 | K | 86.1 | Confident | 87.9 | Confident | 94 Ų | 94 | 46.1 Ų | 46.1 | 41% | 0.409 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -88.6 | -31.2 | -176 | -170 | 172.7 | 177.1 | -176.8 | 0 | 112.9 | D39 R355 A356 A357 | D39-K359 IonicContact OD1-NZ 2.66Å; D39-K359 PolarHBondContact OD1-NZ 3.26Å; D39-K359 IonicContact OD2-NZ 2.92Å; D39-K359 PolarHBondContact OD2-NZ 3.12Å; R355-K359 WeakPolarHBondContact O-CB 3.39Å; R355-K359 PolarHBondContact O-N 2.8Å; A356-K359 PolarHBondContact O-N 3.11Å; A357-K359 VanDerWaalsContact C-N 3.34Å; A357-K359 PolarHBondContact O-N 3.24Å |
| 360 | Y | 85 | Confident | 87.9 | Confident | 26 Ų | 26 | 44.1 Ų | 44.1 | 10% | 0.102 | 25% | 0.254 | C | S | . | . | trans | -134.3 | 61.1 | -176.2 | -49.8 | -79.7 | 0 | 0 | 0 | 111.6 | D39 L42 A43 A46 A356 E362 T363 V364 | D39-Y360 PolarHBondContact O-OH 3.39Å; L42-Y360 HydrophobicContact CB-CD2 3.88Å; L42-Y360 HydrophobicContact CB-CE1 4.44Å; L42-Y360 HydrophobicContact CB-CE2 3.44Å; L42-Y360 VanDerWaalsContact CB-CE2 3.44Å; L42-Y360 HydrophobicContact CD1-CD2 4.35Å; L42-Y360 HydrophobicContact CD1-CE2 3.9Å; L42-Y360 HydrophobicContact CG-CE2 4.29Å; A43-Y360 HydrophobicContact CB-CE1 3.89Å; A46-Y360 HydrophobicContact CB-CD1 3.85Å; A356-Y360 PolarHBondContact O-N 3.03Å; Y360-E362 PolarHBondContact O-N 3Å; Y360-E362 VanDerWaalsContact O-N 3.08Å; Y360-T363 VanDerWaalsContact CB-OG1 3.31Å; Y360-T363 WeakPolarHBondContact CB-OG1 3.43Å; Y360-T363 PolarHBondContact O-N 3.07Å; Y360-T363 PolarHBondContact O-OG1 3.37Å; Y360-T363 VanDerWaalsContact O-OG1 3.08Å; Y360-V364 PolarHBondContact O-N 3.2Å | ||
| 361 | P | 85.4 | Confident | 87.9 | Confident | 84 Ų | 84 | 45 Ų | 45 | 55% | 0.545 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.9 | -172.7 | 25.6 | -35.9 | 0 | 0 | 0 | 113.9 | A357 T363 | A357-P361 VanDerWaalsContact O-CA 3.23Å; A357-P361 WeakPolarHBondContact O-CA 3.47Å; A357-P361 WeakPolarHBondContact O-CB 3.3Å; A357-P361 WeakPolarHBondContact O-CD 3.42Å; P361-T363 VanDerWaalsContact C-N 3.3Å |
| 362 | E | 81 | Confident | 88 | Confident | 101 Ų | 101 | 45 Ų | 45 | 47% | 0.472 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -13.7 | 178.9 | -62.1 | -68.7 | -163.8 | 0 | 0 | 113.8 | R53 Y360 | R53-E362 IonicContact CZ-OE2 3.02Å; R53-E362 IonicContact NH1-OE1 3.49Å; R53-E362 IonicContact NH1-OE2 2.68Å; R53-E362 PolarHBondContact NH1-OE2 3.39Å; R53-E362 IonicContact NH2-OE2 3.51Å; R53-E362 PolarHBondContact NH2-OE2 3.37Å; Y360-E362 PolarHBondContact O-N 3Å; Y360-E362 VanDerWaalsContact O-N 3.08Å |
| 363 | T | 77.1 | Confident | 88.1 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 18% | 0.178 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | -35 | -178.6 | 32.9 | 0 | 0 | 0 | 0 | 114.8 | M45 A46 A49 Y360 P361 | M45-T363 WeakPolarHBondContact O-CG2 3.27Å; A46-T363 VanDerWaalsContact CA-CG2 3.4Å; A46-T363 HydrophobicContact CB-CG2 4.23Å; A49-T363 HydrophobicContact CB-CG2 3.26Å; Y360-T363 VanDerWaalsContact CB-OG1 3.31Å; Y360-T363 WeakPolarHBondContact CB-OG1 3.43Å; Y360-T363 PolarHBondContact O-N 3.07Å; Y360-T363 PolarHBondContact O-OG1 3.37Å; Y360-T363 VanDerWaalsContact O-OG1 3.08Å; P361-T363 VanDerWaalsContact C-N 3.3Å |
| 364 | V | 79.5 | Confident | 88.1 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.024 | 27% | 0.267 | C | S | . | . | trans | -109.6 | 106.3 | -178.2 | -175.7 | 0 | 0 | 0 | 0 | 106.4 | A356 A357 Y360 G366 V375 | A356-V364 HydrophobicContact CB-CB 4.31Å; A356-V364 HydrophobicContact CB-CG1 3.99Å; A356-V364 HydrophobicContact CB-CG2 4.11Å; A357-V364 WeakPolarHBondContact CA-O 3.41Å; A357-V364 HydrophobicContact CB-CG1 4.2Å; Y360-V364 PolarHBondContact O-N 3.2Å; V364-G366 WeakPolarHBondContact CG1-O 3.4Å; V364-V375 HydrophobicContact CG1-CG2 4.35Å; V364-V375 HydrophobicContact CG2-CG2 3.94Å | ||
| 365 | H | 76.5 | Confident | 88.3 | Confident | 149 Ų | 149 | 45.3 Ų | 45.3 | 69% | 0.69 | 26% | 0.26 | S | S | * | . | trans | -83 | -18.8 | -169.2 | -61.7 | -51.8 | 0 | 0 | 0 | 113.2 | ||||
| 366 | G | 83.2 | Confident | 88.6 | Confident | 19 Ų | 19 | 41.2 Ų | 41.2 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | trans | -156.1 | -161.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V364 D371 | V364-G366 WeakPolarHBondContact CG1-O 3.4Å; G366-D371 WeakPolarHBondContact CA-OD2 3.31Å; G366-D371 PolarHBondContact N-OD1 3.36Å | ||
| 367 | S | 91 | Very high | 89.1 | Confident | 50 Ų | 50 | 41.3 Ų | 41.3 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -134.3 | 29.4 | -179.7 | 68.7 | 0 | 0 | 0 | 0 | 110.7 | C351 D371 | C351-S367 WeakPolarHBondContact O-CA 3.3Å; C351-S367 VanDerWaalsContact O-CB 3.27Å; C351-S367 WeakPolarHBondContact O-CB 3.39Å; S367-D371 PolarHBondContact N-OD2 2.82Å |
| 368 | S | 93.2 | Very high | 89.5 | Confident | 41 Ų | 41 | 44.7 Ų | 44.7 | 29% | 0.287 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -86 | 165 | 178.2 | 70.1 | 0 | 0 | 0 | 0 | 111.5 | S370 D371 A372 | S368-S370 PolarHBondContact O-N 3.03Å; S368-S370 PolarHBondContact OG-N 3.12Å; S368-D371 WeakPolarHBondContact CB-OD2 3.48Å; S368-D371 PolarHBondContact N-OD2 2.85Å; S368-D371 PolarHBondContact O-N 3.42Å; S368-D371 PolarHBondContact OG-N 2.94Å; S368-D371 VanDerWaalsContact OG-N 3.08Å; S368-D371 PolarHBondContact OG-OD2 3.32Å; S368-A372 PolarHBondContact O-N 2.95Å |
| 369 | A | 96.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.5 | -34.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S111 L352 A372 A373 V393 E395 | S111-A369 WeakPolarHBondContact OG-CB 3.44Å; L352-A369 HydrophobicContact CD2-CB 4.44Å; A369-A372 PolarHBondContact O-N 3.5Å; A369-A373 PolarHBondContact O-N 3.38Å; A369-V393 HydrophobicContact CB-CB 4.27Å; A369-V393 HydrophobicContact CB-CG1 4.09Å; A369-E395 HydrophobicContact CB-CB 4.36Å |
| 370 | S | 95.2 | Very high | 90.2 | Very high | 61 Ų | 61 | 35.6 Ų | 35.6 | 43% | 0.427 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 173.5 | -55.4 | 0 | 0 | 0 | 0 | 112.5 | G113 S368 A372 A373 A374 | G113-S370 WeakPolarHBondContact CA-OG 3.38Å; S368-S370 PolarHBondContact O-N 3.03Å; S368-S370 PolarHBondContact OG-N 3.12Å; S370-A372 VanDerWaalsContact C-N 3.3Å; S370-A372 PolarHBondContact O-N 3.06Å; S370-A373 PolarHBondContact O-N 2.92Å; S370-A374 WeakPolarHBondContact O-CB 3.2Å; S370-A374 PolarHBondContact O-N 3.16Å |
| 371 | D | 93.1 | Very high | 90.7 | Very high | 37 Ų | 37 | 36.9 Ų | 36.9 | 20% | 0.198 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.9 | -41.8 | 173.6 | -62.2 | -64.2 | 0 | 0 | 0 | 110.6 | C351 G366 S367 S368 A374 V375 | C351-D371 VanDerWaalsContact SG-C 3.55Å; C351-D371 VanDerWaalsContact SG-CB 3.55Å; G366-D371 WeakPolarHBondContact CA-OD2 3.31Å; G366-D371 PolarHBondContact N-OD1 3.36Å; S367-D371 PolarHBondContact N-OD2 2.82Å; S368-D371 WeakPolarHBondContact CB-OD2 3.48Å; S368-D371 PolarHBondContact N-OD2 2.85Å; S368-D371 PolarHBondContact O-N 3.42Å; S368-D371 PolarHBondContact OG-N 2.94Å; S368-D371 VanDerWaalsContact OG-N 3.08Å; S368-D371 PolarHBondContact OG-OD2 3.32Å; D371-A374 PolarHBondContact O-N 3.42Å; D371-V375 WeakPolarHBondContact O-CB 3.39Å; D371-V375 VanDerWaalsContact O-CG2 3.22Å; D371-V375 WeakPolarHBondContact O-CG2 3.34Å; D371-V375 PolarHBondContact O-N 2.86Å |
| 372 | A | 96.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -45.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A348 C351 L352 S368 A369 S370 V375 L376 V393 | A348-A372 HydrophobicContact CB-CB 4.46Å; C351-A372 HydrophobicContact CB-CB 4.01Å; C351-A372 VanDerWaalsContact SG-CA 3.59Å; C351-A372 PolarHBondContact SG-N 3.19Å; C351-A372 VanDerWaalsContact SG-N 3.38Å; L352-A372 HydrophobicContact CD2-CB 4.27Å; L352-A372 HydrophobicContact CG-CB 4.09Å; S368-A372 PolarHBondContact O-N 2.95Å; A369-A372 PolarHBondContact O-N 3.5Å; S370-A372 VanDerWaalsContact C-N 3.3Å; S370-A372 PolarHBondContact O-N 3.06Å; A372-V375 PolarHBondContact O-N 3.32Å; A372-L376 VanDerWaalsContact O-CG 3.31Å; A372-L376 WeakPolarHBondContact O-CG 3.45Å; A372-L376 PolarHBondContact O-N 2.89Å; A372-V393 HydrophobicContact CB-CG1 4.19Å; A372-V393 HydrophobicContact CB-CG2 4.28Å |
| 373 | A | 97.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V115 A369 S370 V375 L376 V377 V391 V393 | V115-A373 HydrophobicContact CB-CB 4.25Å; V115-A373 HydrophobicContact CG2-CB 3.78Å; A369-A373 PolarHBondContact O-N 3.38Å; S370-A373 PolarHBondContact O-N 2.92Å; A373-V375 PolarHBondContact O-N 2.82Å; A373-L376 PolarHBondContact O-N 3.49Å; A373-V377 WeakPolarHBondContact O-CG2 3.27Å; A373-V377 PolarHBondContact O-N 2.95Å; A373-V391 HydrophobicContact CB-CG1 4.34Å; A373-V393 HydrophobicContact CB-CB 4.45Å; A373-V393 HydrophobicContact CB-CG2 3.93Å |
| 374 | A | 94.9 | Very high | 92.6 | Very high | 38 Ų | 38 | 35.4 Ų | 35.4 | 31% | 0.314 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62 | -42.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V115 S370 D371 L376 V377 E378 | V115-A374 HydrophobicContact CG2-CB 4.14Å; S370-A374 WeakPolarHBondContact O-CB 3.2Å; S370-A374 PolarHBondContact O-N 3.16Å; D371-A374 PolarHBondContact O-N 3.42Å; A374-L376 VanDerWaalsContact C-N 3.33Å; A374-L376 PolarHBondContact O-N 3.14Å; A374-V377 PolarHBondContact O-N 3.09Å; A374-E378 WeakPolarHBondContact O-CG 3.35Å; A374-E378 PolarHBondContact O-N 2.97Å |
| 375 | V | 94.5 | Very high | 93.4 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.8 | -37.5 | 177.3 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | L42 M45 V347 V364 D371 A372 A373 F379 | L42-V375 HydrophobicContact CD2-CG1 3.86Å; M45-V375 HydrophobicContact CE-CG1 4.49Å; V347-V375 HydrophobicContact CG1-CG1 3.57Å; V364-V375 HydrophobicContact CG1-CG2 4.35Å; V364-V375 HydrophobicContact CG2-CG2 3.94Å; D371-V375 WeakPolarHBondContact O-CB 3.39Å; D371-V375 VanDerWaalsContact O-CG2 3.22Å; D371-V375 WeakPolarHBondContact O-CG2 3.34Å; D371-V375 PolarHBondContact O-N 2.86Å; A372-V375 PolarHBondContact O-N 3.32Å; A373-V375 PolarHBondContact O-N 2.82Å; V375-F379 WeakPolarHBondContact O-CB 3.31Å; V375-F379 PolarHBondContact O-N 3.14Å |
| 376 | L | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63 | -47.6 | 175.2 | -73.6 | 168.5 | 0 | 0 | 0 | 111.8 | I329 L335 M339 A344 V347 A348 A372 A373 A374 E378 F379 A380 V391 V393 | I329-L376 HydrophobicContact CD1-CD1 4.02Å; I329-L376 HydrophobicContact CG1-CD1 4.42Å; I329-L376 HydrophobicContact CG2-CD1 4.09Å; L335-L376 HydrophobicContact CD1-CB 4.28Å; M339-L376 HydrophobicContact CE-CD2 3.79Å; A344-L376 HydrophobicContact CB-CD2 4.06Å; V347-L376 HydrophobicContact CB-CD2 3.97Å; V347-L376 HydrophobicContact CG1-CD2 3.84Å; V347-L376 HydrophobicContact CG1-CG 4.35Å; A348-L376 HydrophobicContact CB-CD1 4.3Å; A372-L376 VanDerWaalsContact O-CG 3.31Å; A372-L376 WeakPolarHBondContact O-CG 3.45Å; A372-L376 PolarHBondContact O-N 2.89Å; A373-L376 PolarHBondContact O-N 3.49Å; A374-L376 VanDerWaalsContact C-N 3.33Å; A374-L376 PolarHBondContact O-N 3.14Å; L376-E378 PolarHBondContact O-N 2.78Å; L376-F379 WeakPolarHBondContact O-CB 3.47Å; L376-F379 PolarHBondContact O-N 2.56Å; L376-A380 PolarHBondContact O-N 3.29Å; L376-V391 HydrophobicContact CB-CG1 4.2Å; L376-V391 HydrophobicContact CB-CG2 4.5Å; L376-V391 HydrophobicContact CD1-CG1 3.71Å; L376-V393 HydrophobicContact CD1-CG2 3.82Å |
| 377 | V | 96.3 | Very high | 95 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.7 | -49.5 | 177.3 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | V115 V117 A373 A374 F379 A380 M381 I389 V391 | V115-V377 HydrophobicContact CB-CG2 4.02Å; V115-V377 HydrophobicContact CG1-CB 4.24Å; V115-V377 HydrophobicContact CG1-CG1 4.36Å; V115-V377 HydrophobicContact CG1-CG2 3.78Å; V117-V377 HydrophobicContact CG1-CG1 4.27Å; V117-V377 HydrophobicContact CG2-CG1 3.41Å; V117-V377 VanDerWaalsContact CG2-CG1 3.41Å; A373-V377 WeakPolarHBondContact O-CG2 3.27Å; A373-V377 PolarHBondContact O-N 2.95Å; A374-V377 PolarHBondContact O-N 3.09Å; V377-F379 VanDerWaalsContact C-N 3.28Å; V377-F379 PolarHBondContact O-N 2.72Å; V377-A380 WeakPolarHBondContact O-CB 3.47Å; V377-A380 PolarHBondContact O-N 2.73Å; V377-M381 HydrophobicContact CG1-SD 4.46Å; V377-M381 WeakPolarHBondContact O-CG 3.24Å; V377-M381 PolarHBondContact O-N 2.99Å; V377-I389 HydrophobicContact CB-CG2 4.46Å; V377-I389 HydrophobicContact CG1-CB 4.44Å; V377-I389 HydrophobicContact CG1-CG2 4.41Å; V377-I389 HydrophobicContact CG2-CG2 3.98Å; V377-V391 HydrophobicContact CG2-CB 4.12Å; V377-V391 HydrophobicContact CG2-CG2 3.64Å |
| 378 | E | 93 | Very high | 95.4 | Very high | 93 Ų | 93 | 31.6 Ų | 31.6 | 44% | 0.435 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.4 | -35.8 | 178.6 | -70.8 | -71.6 | 161.1 | 0 | 0 | 112.2 | M45 A374 L376 M381 A382 | M45-E378 HydrophobicContact CE-CB 3.31Å; M45-E378 HydrophobicContact CE-CG 4.15Å; M45-E378 HydrophobicContact SD-CB 4.32Å; A374-E378 WeakPolarHBondContact O-CG 3.35Å; A374-E378 PolarHBondContact O-N 2.97Å; L376-E378 PolarHBondContact O-N 2.78Å; E378-M381 PolarHBondContact O-N 3.12Å; E378-A382 VanDerWaalsContact O-CB 3.27Å; E378-A382 WeakPolarHBondContact O-CB 3.21Å; E378-A382 PolarHBondContact O-N 2.89Å |
| 379 | F | 93.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.8 | -40 | 175.6 | -162.5 | -76.8 | 0 | 0 | 0 | 111.5 | T38 V41 M339 V343 V347 V375 L376 V377 A382 R383 | T38-F379 HydrophobicContact CG2-CE2 4.23Å; V41-F379 HydrophobicContact CB-CD2 3.82Å; V41-F379 HydrophobicContact CB-CE2 3.31Å; V41-F379 HydrophobicContact CB-CZ 3.76Å; V41-F379 HydrophobicContact CG1-CD1 4.26Å; V41-F379 HydrophobicContact CG1-CD2 3.26Å; V41-F379 HydrophobicContact CG1-CE1 4.36Å; V41-F379 HydrophobicContact CG1-CE2 3.34Å; V41-F379 HydrophobicContact CG1-CG 3.76Å; V41-F379 HydrophobicContact CG1-CZ 3.91Å; V41-F379 HydrophobicContact CG2-CE1 4.41Å; V41-F379 HydrophobicContact CG2-CE2 3.9Å; V41-F379 HydrophobicContact CG2-CZ 3.77Å; M339-F379 HydrophobicContact CE-CB 4.37Å; M339-F379 HydrophobicContact CE-CD1 3.52Å; M339-F379 HydrophobicContact CE-CE1 3.9Å; M339-F379 HydrophobicContact CE-CG 4.08Å; M339-F379 HydrophobicContact CG-CD1 3.97Å; M339-F379 HydrophobicContact CG-CE1 4.29Å; M339-F379 HydrophobicContact SD-CB 4.05Å; M339-F379 HydrophobicContact SD-CD1 3.4Å; M339-F379 WeakPolarHBondContact SD-CD1 3.3Å; M339-F379 HydrophobicContact SD-CE1 4.16Å; M339-F379 HydrophobicContact SD-CG 4.09Å; V343-F379 HydrophobicContact CG1-CE1 3.72Å; V343-F379 HydrophobicContact CG1-CZ 3.85Å; V347-F379 HydrophobicContact CG2-CD2 3.97Å; V347-F379 HydrophobicContact CG2-CE2 3.82Å; V347-F379 HydrophobicContact CG2-CZ 4.22Å; V375-F379 WeakPolarHBondContact O-CB 3.31Å; V375-F379 PolarHBondContact O-N 3.14Å; L376-F379 WeakPolarHBondContact O-CB 3.47Å; L376-F379 PolarHBondContact O-N 2.56Å; V377-F379 VanDerWaalsContact C-N 3.28Å; V377-F379 PolarHBondContact O-N 2.72Å; F379-A382 PolarHBondContact O-N 2.88Å; F379-R383 VanDerWaalsContact CD1-CD 3.44Å; F379-R383 HydrophobicContact CD1-CG 4.12Å; F379-R383 HydrophobicContact CE1-CG 4.13Å; F379-R383 WeakPolarHBondContact O-CB 3.27Å; F379-R383 WeakPolarHBondContact O-CG 3.36Å; F379-R383 PolarHBondContact O-N 3.27Å |
| 380 | A | 95.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L335 V338 M339 L376 V377 A382 R383 G384 S385 I389 | L335-A380 HydrophobicContact CD1-CB 4.07Å; V338-A380 HydrophobicContact CG2-CB 3.72Å; M339-A380 HydrophobicContact SD-CB 4.26Å; L376-A380 PolarHBondContact O-N 3.29Å; V377-A380 WeakPolarHBondContact O-CB 3.47Å; V377-A380 PolarHBondContact O-N 2.73Å; A380-A382 VanDerWaalsContact C-N 3.33Å; A380-A382 PolarHBondContact O-N 3.44Å; A380-R383 CarbonylContact O-C 3.54Å; A380-R383 PolarHBondContact O-N 2.9Å; A380-R383 VanDerWaalsContact O-N 3.12Å; A380-G384 PolarHBondContact O-N 2.9Å; A380-S385 WeakPolarHBondContact O-CB 3.35Å; A380-S385 PolarHBondContact O-N 2.97Å; A380-S385 VanDerWaalsContact O-N 3.11Å; A380-I389 HydrophobicContact CB-CD1 4Å; A380-I389 HydrophobicContact CB-CG2 4.34Å |
| 381 | M | 94.9 | Very high | 95.9 | Very high | 54 Ų | 54 | 26.7 Ų | 26.7 | 27% | 0.266 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60 | -41.4 | 174.4 | -68.2 | -173.9 | 76.6 | 0 | 0 | 112.4 | R120 V377 E378 R383 G384 I389 | R120-M381 PolarHBondContact NH2-O 3.29Å; R120-M381 VanDerWaalsContact NH2-O 3.12Å; V377-M381 HydrophobicContact CG1-SD 4.46Å; V377-M381 WeakPolarHBondContact O-CG 3.24Å; V377-M381 PolarHBondContact O-N 2.99Å; E378-M381 PolarHBondContact O-N 3.12Å; M381-R383 VanDerWaalsContact C-N 3.26Å; M381-R383 PolarHBondContact O-N 3.34Å; M381-G384 PolarHBondContact O-N 2.87Å; M381-G384 VanDerWaalsContact O-N 3.16Å; M381-I389 HydrophobicContact CG-CD1 3.59Å |
| 382 | A | 93.2 | Very high | 96.2 | Very high | 65 Ų | 65 | 25 Ų | 25 | 54% | 0.537 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -67.2 | -27.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V41 E378 F379 A380 G384 | V41-A382 HydrophobicContact CG1-CB 4.26Å; E378-A382 VanDerWaalsContact O-CB 3.27Å; E378-A382 WeakPolarHBondContact O-CB 3.21Å; E378-A382 PolarHBondContact O-N 2.89Å; F379-A382 PolarHBondContact O-N 2.88Å; A380-A382 VanDerWaalsContact C-N 3.33Å; A380-A382 PolarHBondContact O-N 3.44Å; A382-G384 VanDerWaalsContact C-N 3.27Å |
| 383 | R | 94.3 | Very high | 96.3 | Very high | 86 Ų | 86 | 25 Ų | 25 | 33% | 0.325 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 3.1 | 174.4 | -74 | -178.3 | 61.2 | 106.9 | -4 | 114.2 | V338 F379 A380 M381 | V338-R383 HydrophobicContact CB-CB 4Å; V338-R383 HydrophobicContact CG2-CB 4.35Å; V338-R383 PolarHBondContact O-NE 2.98Å; V338-R383 PolarHBondContact O-NH2 3.45Å; F379-R383 VanDerWaalsContact CD1-CD 3.44Å; F379-R383 HydrophobicContact CD1-CG 4.12Å; F379-R383 HydrophobicContact CE1-CG 4.13Å; F379-R383 WeakPolarHBondContact O-CB 3.27Å; F379-R383 WeakPolarHBondContact O-CG 3.36Å; F379-R383 PolarHBondContact O-N 3.27Å; A380-R383 CarbonylContact O-C 3.54Å; A380-R383 PolarHBondContact O-N 2.9Å; A380-R383 VanDerWaalsContact O-N 3.12Å; M381-R383 VanDerWaalsContact C-N 3.26Å; M381-R383 PolarHBondContact O-N 3.34Å |
| 384 | G | 95.1 | Very high | 96.4 | Very high | 32 Ų | 32 | 25 Ų | 25 | 33% | 0.33 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | 13.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A380 M381 A382 T386 | A380-G384 PolarHBondContact O-N 2.9Å; M381-G384 PolarHBondContact O-N 2.87Å; M381-G384 VanDerWaalsContact O-N 3.16Å; A382-G384 VanDerWaalsContact C-N 3.27Å; G384-T386 PolarHBondContact O-N 3.39Å |
| 385 | S | 96.8 | Very high | 96.5 | Very high | 8 Ų | 8 | 23.2 Ų | 23.2 | 6% | 0.056 | 14% | 0.135 | C | C | . | . | trans | -52.3 | 130.4 | 171 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | G334 A380 | G334-S385 VanDerWaalsContact O-CB 3.3Å; G334-S385 WeakPolarHBondContact O-CB 3.27Å; G334-S385 PolarHBondContact O-OG 3.26Å; A380-S385 WeakPolarHBondContact O-CB 3.35Å; A380-S385 PolarHBondContact O-N 2.97Å; A380-S385 VanDerWaalsContact O-N 3.11Å | ||
| 386 | T | 96.2 | Very high | 96.6 | Very high | 92 Ų | 92 | 23 Ų | 23 | 56% | 0.564 | 13% | 0.133 | S | C | * | . | trans | -106.6 | 0.4 | 179 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | G384 | G384-T386 PolarHBondContact O-N 3.39Š| ||
| 387 | D | 97.8 | Very high | 96.5 | Very high | 40 Ų | 40 | 27.8 Ų | 27.8 | 21% | 0.214 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -96.7 | 179.3 | -172.7 | -136 | -33.2 | 0 | 0 | 0 | 113.6 | G119 R121 | G119-D387 WeakPolarHBondContact CA-O 3.25Å; R121-D387 VanDerWaalsContact CD-OD1 3.27Å; R121-D387 WeakPolarHBondContact CD-OD1 3.31Å; R121-D387 WeakPolarHBondContact CG-OD1 3.3Å; R121-D387 IonicContact NE-OD1 3.68Å; R121-D387 PolarHBondContact NE-OD1 3.11Å |
| 388 | N | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | trans | -60.8 | 150.2 | 155.2 | -62.8 | 163.3 | 0 | 0 | 0 | 108.9 | V117 I118 R121 E123 M124 E125 D126 G334 | V117-N388 WeakPolarHBondContact O-CA 3.1Å; I118-N388 WeakPolarHBondContact CA-ND2 3.07Å; I118-N388 PolarHBondContact O-ND2 2.77Å; R121-N388 WeakPolarHBondContact CB-ND2 3.34Å; R121-N388 WeakPolarHBondContact CG-ND2 3.27Å; E123-N388 PolarHBondContact O-ND2 2.94Å; E123-N388 PolarHBondContact O-OD1 3.27Å; M124-N388 WeakPolarHBondContact CA-OD1 3.44Å; M124-N388 HydrophobicContact SD-CB 4.06Å; E125-N388 PolarHBondContact N-OD1 3.24Å; D126-N388 HydrophobicContact CB-CB 3.8Å; D126-N388 VanDerWaalsContact CG-CB 3.49Å; D126-N388 PolarHBondContact N-OD1 3.13Å; G334-N388 WeakPolarHBondContact CA-O 3.44Å | ||
| 389 | I | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 113 | -178 | -46.1 | 175.7 | 0 | 0 | 0 | 108.4 | S116 V117 D126 L335 V377 A380 M381 V391 | S116-I389 WeakPolarHBondContact CA-O 3.34Å; V117-I389 HydrophobicContact CG2-CB 4.04Å; V117-I389 PolarHBondContact N-O 3.41Å; V117-I389 PolarHBondContact O-N 2.86Å; D126-I389 PolarHBondContact OD2-N 2.89Å; L335-I389 HydrophobicContact CB-CG2 4.34Å; V377-I389 HydrophobicContact CB-CG2 4.46Å; V377-I389 HydrophobicContact CG1-CB 4.44Å; V377-I389 HydrophobicContact CG1-CG2 4.41Å; V377-I389 HydrophobicContact CG2-CG2 3.98Å; A380-I389 HydrophobicContact CB-CD1 4Å; A380-I389 HydrophobicContact CB-CG2 4.34Å; M381-I389 HydrophobicContact CG-CD1 3.59Å; I389-V391 HydrophobicContact CG2-CG2 4.2Å |
| 390 | S | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 130.7 | 175.9 | -66.5 | 0 | 0 | 0 | 0 | 110.2 | V115 S116 D126 G331 S332 | V115-S390 CarbonylContact O-C 3.46Å; V115-S390 WeakPolarHBondContact O-CA 3.14Å; S116-S390 WeakPolarHBondContact CB-OG 3.38Å; S116-S390 PolarHBondContact OG-OG 2.92Å; D126-S390 VanDerWaalsContact CB-OG 3.27Å; D126-S390 WeakPolarHBondContact CB-OG 3.31Å; D126-S390 VanDerWaalsContact CG-OG 3.24Å; D126-S390 WeakPolarHBondContact OD2-CB 3.46Å; D126-S390 PolarHBondContact OD2-N 3.03Å; D126-S390 VanDerWaalsContact OD2-N 3.08Å; D126-S390 PolarHBondContact OD2-OG 3.44Å; G331-S390 CarbonylContact C-O 3.58Å; G331-S390 WeakPolarHBondContact CA-O 3.27Å; S332-S390 PolarHBondContact N-O 3.29Å; S332-S390 VanDerWaalsContact N-O 3.07Å; S332-S390 PolarHBondContact OG-N 3.25Å |
| 391 | V | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 128 | -178 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | A114 V115 I329 L330 L335 A373 L376 V377 I389 V393 | A114-V391 CarbonylContact C-O 3.49Å; A114-V391 WeakPolarHBondContact CA-O 3.46Å; V115-V391 PolarHBondContact N-O 2.9Å; V115-V391 PolarHBondContact O-N 2.88Å; I329-V391 HydrophobicContact CG2-CG1 4.05Å; L330-V391 CarbonylContact O-C 3.58Å; L330-V391 WeakPolarHBondContact O-CA 3.43Å; L335-V391 HydrophobicContact CB-CG2 4.26Å; L335-V391 HydrophobicContact CD1-CG2 4.37Å; L335-V391 HydrophobicContact CD2-CG1 4.32Å; L335-V391 HydrophobicContact CD2-CG2 3.86Å; L335-V391 HydrophobicContact CG-CG2 4.38Å; A373-V391 HydrophobicContact CB-CG1 4.34Å; L376-V391 HydrophobicContact CB-CG1 4.2Å; L376-V391 HydrophobicContact CB-CG2 4.5Å; L376-V391 HydrophobicContact CD1-CG1 3.71Å; V377-V391 HydrophobicContact CG2-CB 4.12Å; V377-V391 HydrophobicContact CG2-CG2 3.64Å; I389-V391 HydrophobicContact CG2-CG2 4.2Å; V391-V393 HydrophobicContact CG1-CG2 4.17Å |
| 392 | V | 98.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124.1 | 169.2 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | G113 A114 V128 F156 V158 I329 L330 V394 | G113-V392 CarbonylContact O-C 3.51Å; G113-V392 WeakPolarHBondContact O-CA 3.49Å; A114-V392 HydrophobicContact CB-CG2 3.94Å; V128-V392 HydrophobicContact CB-CG2 4.35Å; V128-V392 HydrophobicContact CG1-CG2 4.25Å; F156-V392 HydrophobicContact CB-CG1 4.14Å; F156-V392 HydrophobicContact CD1-CG1 3.91Å; F156-V392 HydrophobicContact CG-CG1 4.36Å; V158-V392 HydrophobicContact CG2-CB 4.49Å; V158-V392 HydrophobicContact CG2-CG2 3.81Å; I329-V392 CarbonylContact C-O 3.42Å; I329-V392 WeakPolarHBondContact CA-O 3.45Å; L330-V392 HydrophobicContact CB-CB 4.28Å; L330-V392 HydrophobicContact CD1-CB 4.46Å; L330-V392 PolarHBondContact N-O 3.45Å; L330-V392 PolarHBondContact O-N 3.37Å; V392-V394 HydrophobicContact CG1-CG2 4.19Å |
| 393 | V | 98.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 128.2 | 173 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | H112 G113 I328 I329 L352 A369 A372 A373 L376 V391 | H112-V393 CarbonylContact C-O 3.59Å; H112-V393 WeakPolarHBondContact CA-O 3.14Å; G113-V393 PolarHBondContact N-O 3.42Å; G113-V393 PolarHBondContact O-N 2.87Å; I328-V393 CarbonylContact O-C 3.54Å; I328-V393 WeakPolarHBondContact O-CA 3.4Å; I329-V393 HydrophobicContact CG1-CG2 4.48Å; L352-V393 HydrophobicContact CD1-CG1 4.33Å; A369-V393 HydrophobicContact CB-CB 4.27Å; A369-V393 HydrophobicContact CB-CG1 4.09Å; A372-V393 HydrophobicContact CB-CG1 4.19Å; A372-V393 HydrophobicContact CB-CG2 4.28Å; A373-V393 HydrophobicContact CB-CB 4.45Å; A373-V393 HydrophobicContact CB-CG2 3.93Å; L376-V393 HydrophobicContact CD1-CG2 3.82Å; V391-V393 HydrophobicContact CG1-CG2 4.17Å |
| 394 | V | 98.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 107.8 | 177.5 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | P109 F156 F327 I328 V392 L396 | P109-V394 HydrophobicContact CB-CG1 3.72Å; P109-V394 HydrophobicContact CG-CG1 3.79Å; F156-V394 HydrophobicContact CB-CG2 4.24Å; F156-V394 HydrophobicContact CD1-CG2 3.64Å; F156-V394 HydrophobicContact CD2-CG1 4.31Å; F156-V394 HydrophobicContact CD2-CG2 3.58Å; F156-V394 HydrophobicContact CE1-CG1 4.49Å; F156-V394 HydrophobicContact CE1-CG2 3.82Å; F156-V394 HydrophobicContact CE2-CB 4.39Å; F156-V394 HydrophobicContact CE2-CG1 3.69Å; F156-V394 HydrophobicContact CE2-CG2 3.74Å; F156-V394 HydrophobicContact CG-CG2 3.52Å; F156-V394 HydrophobicContact CZ-CB 4.49Å; F156-V394 HydrophobicContact CZ-CG1 3.8Å; F156-V394 HydrophobicContact CZ-CG2 3.86Å; F327-V394 CarbonylContact C-O 3.46Å; F327-V394 WeakPolarHBondContact CA-O 3.48Å; F327-V394 WeakPolarHBondContact CB-O 3.39Å; I328-V394 HydrophobicContact CB-CB 4.28Å; I328-V394 PolarHBondContact N-O 2.86Å; I328-V394 PolarHBondContact O-N 3.09Å; V392-V394 HydrophobicContact CG1-CG2 4.19Å; V394-L396 HydrophobicContact CG1-CD2 4.19Å; V394-L396 PolarHBondContact O-N 2.8Å |
| 395 | E | 97.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 111.1 | 179.4 | -173.2 | -172.4 | -171.3 | 0 | 0 | 109.6 | P109 V110 S111 L352 A369 R398 | P109-E395 CarbonylContact C-O 3.54Å; P109-E395 WeakPolarHBondContact CA-O 3.27Å; V110-E395 HydrophobicContact CB-CB 4.34Å; V110-E395 HydrophobicContact CB-CG 4.05Å; V110-E395 WeakPolarHBondContact CB-O 3.44Å; V110-E395 HydrophobicContact CG1-CG 4.37Å; V110-E395 WeakPolarHBondContact CG1-OE2 3.26Å; V110-E395 PolarHBondContact N-O 3.43Å; S111-E395 WeakPolarHBondContact O-CB 3.32Å; S111-E395 PolarHBondContact O-N 2.86Å; S111-E395 PolarHBondContact OG-OE2 3.03Å; L352-E395 HydrophobicContact CD2-CB 4.37Å; L352-E395 HydrophobicContact CD2-CG 4.21Å; A369-E395 HydrophobicContact CB-CB 4.36Å; E395-R398 WeakPolarHBondContact OE1-CD 3.46Å; E395-R398 IonicContact OE1-NH1 2.82Å; E395-R398 PolarHBondContact OE1-NH1 3.03Å; E395-R398 IonicContact OE2-CZ 3.37Å; E395-R398 IonicContact OE2-NH1 3.69Å; E395-R398 PolarHBondContact OE2-NH1 2.96Å |
| 396 | L | 97.1 | Very high | 84.6 | Confident | 6 Ų | 6 | 69 Ų | 69 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | trans | -86.5 | -23.7 | -180 | -60.4 | 177.2 | 0 | 0 | 0 | 112.2 | P109 V235 I240 L252 D325 E326 I328 V394 | P109-L396 HydrophobicContact CB-CD2 4.5Å; P109-L396 HydrophobicContact CG-CD2 4.06Å; V235-L396 HydrophobicContact CG1-CD2 3.82Å; I240-L396 HydrophobicContact CD1-CD1 3.9Å; L252-L396 HydrophobicContact CD1-CD1 3.86Å; D325-L396 HydrophobicContact CB-CD1 3.77Å; E326-L396 PolarHBondContact O-N 3.07Å; I328-L396 HydrophobicContact CD1-CD1 4.16Å; I328-L396 HydrophobicContact CD1-CD2 4.32Å; I328-L396 HydrophobicContact CG1-CD1 3.91Å; I328-L396 HydrophobicContact CG1-CG 4.38Å; V394-L396 HydrophobicContact CG1-CD2 4.19Å; V394-L396 PolarHBondContact O-N 2.8Å | ||
| 397 | K | 93.5 | Very high | 81.8 | Confident | 100 Ų | 100 | 71.6 Ų | 71.6 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -151 | 136.9 | -177.1 | -179.9 | -178 | -177.9 | 176.8 | 0 | 111.3 | H323 E326 L399 | H323-K397 PolarHBondContact O-NZ 3.15Å; E326-K397 PolarHBondContact O-N 3.09Å; E326-K397 VanDerWaalsContact O-N 3.13Å; K397-L399 PolarHBondContact O-N 3.49Å; K397-L399 VanDerWaalsContact O-N 3.14Å |
| 398 | R | 93.4 | Very high | 78.9 | Confident | 141 Ų | 141 | 73.3 Ų | 73.3 | 53% | 0.532 | 37% | 0.372 | S | S | . | . | trans | -60.7 | 115.3 | 170.9 | -75.4 | -69.5 | -177.8 | -147.2 | -0.4 | 110.5 | V110 E395 | V110-R398 HydrophobicContact CG1-CG 3.7Å; V110-R398 HydrophobicContact CG2-CG 4.34Å; E395-R398 WeakPolarHBondContact OE1-CD 3.46Å; E395-R398 IonicContact OE1-NH1 2.82Å; E395-R398 PolarHBondContact OE1-NH1 3.03Å; E395-R398 IonicContact OE2-CZ 3.37Å; E395-R398 IonicContact OE2-NH1 3.69Å; E395-R398 PolarHBondContact OE2-NH1 2.96Å | ||
| 399 | L | 91 | Very high | 76.1 | Confident | 26 Ų | 26 | 84.6 Ų | 84.6 | 14% | 0.136 | 41% | 0.414 | C | S | . | . | trans | -86.1 | 143.5 | 172.3 | -61.3 | -178.9 | 0 | 0 | 0 | 110.6 | E326 F327 R349 L352 C353 K397 | E326-L399 HydrophobicContact CB-CD1 4.35Å; E326-L399 HydrophobicContact CB-CD2 4.06Å; E326-L399 HydrophobicContact CG-CD2 3.86Å; F327-L399 HydrophobicContact CD1-CD1 4.31Å; F327-L399 HydrophobicContact CE1-CD1 4.3Å; R349-L399 HydrophobicContact CG-CD1 3.75Å; L352-L399 HydrophobicContact CB-CD1 4.13Å; C353-L399 HydrophobicContact CB-CB 3.91Å; K397-L399 PolarHBondContact O-N 3.49Å; K397-L399 VanDerWaalsContact O-N 3.14Å | ||
| 400 | K | 83.7 | Confident | 73.5 | Confident | 185 Ų | 185 | 94.5 Ų | 94.5 | 80% | 0.804 | 48% | 0.475 | S | S | * | . | trans | -122.5 | 125.4 | 173.9 | -67.7 | -176.4 | -179.6 | 178.1 | 0 | 109.5 | K402 | K400-K402 PolarHBondContact O-N 2.91Å; K400-K402 VanDerWaalsContact O-N 3.14Å | ||
| 401 | W | 77.7 | Confident | 72.2 | Confident | 117 Ų | 117 | 99.2 Ų | 99.2 | 44% | 0.443 | 50% | 0.499 | S | S | . | . | trans | -66.2 | 110 | 169.2 | 179.5 | -113.3 | 0 | 0 | 0 | 109.9 | C353 R355 G403 | C353-W401 HydrophobicContact CB-CB 4.38Å; C353-W401 VanDerWaalsContact O-CB 3.25Å; C353-W401 WeakPolarHBondContact O-CB 3.37Å; C353-W401 PolarHBondContact O-N 3.02Å; R355-W401 HydrophobicContact CB-CD2 4.04Å; R355-W401 HydrophobicContact CB-CE3 3.87Å; R355-W401 HydrophobicContact CB-CZ3 4.28Å; R355-W401 VanDerWaalsContact CD-CZ3 3.41Å; R355-W401 HydrophobicContact CG-CD2 4.1Å; R355-W401 HydrophobicContact CG-CE3 3.98Å; R355-W401 HydrophobicContact CG-CH2 4.03Å; R355-W401 HydrophobicContact CG-CZ2 4.08Å; R355-W401 HydrophobicContact CG-CZ3 3.97Å; R355-W401 VanDerWaalsContact NE-CH2 3.3Å; W401-G403 VanDerWaalsContact NE1-CA 3.3Å; W401-G403 PolarHBondContact O-N 3.06Å | ||
| 402 | K | 67.3 | Low | 70.8 | Confident | 196 Ų | 196 | 104.4 Ų | 104.4 | 85% | 0.852 | 53% | 0.525 | S | S | * | . | trans | -78.5 | 80.6 | 166.4 | -68.2 | -173.4 | -179.4 | -179.1 | 0 | 107.5 | K400 G404 | K400-K402 PolarHBondContact O-N 2.91Å; K400-K402 VanDerWaalsContact O-N 3.14Å; K402-G404 PolarHBondContact O-N 3.04Å | ||
| 403 | G | 57.7 | Low | 69.3 | Low | 46 Ų | 46 | 110.2 Ų | 110.2 | 47% | 0.474 | 55% | 0.554 | S | S | . | * | trans | -52.8 | 126 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | W401 R405 | W401-G403 VanDerWaalsContact NE1-CA 3.3Å; W401-G403 PolarHBondContact O-N 3.06Å; G403-R405 PolarHBondContact O-N 2.97Å; G403-R405 VanDerWaalsContact O-N 3.07Å | ||
| 404 | G | 48.9 | Very low | 67.6 | Low | 72 Ų | 72 | 116.7 Ų | 116.7 | 74% | 0.742 | 59% | 0.587 | S | S | * | * | trans | -57.4 | 115.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | K402 Q406 | K402-G404 PolarHBondContact O-N 3.04Å; G404-Q406 VanDerWaalsContact C-N 3.26Å; G404-Q406 PolarHBondContact O-N 2.94Å | ||
| 405 | R | 39.4 | Very low | 65.6 | Low | 233 Ų | 233 | 124 Ų | 124 | 88% | 0.879 | 62% | 0.624 | S | S | * | * | trans | -54.2 | 99.6 | 158 | -101.5 | 176.9 | 165.1 | 173 | -5.2 | 105.8 | G403 N407 | G403-R405 PolarHBondContact O-N 2.97Å; G403-R405 VanDerWaalsContact O-N 3.07Å; R405-N407 VanDerWaalsContact C-N 3.34Å; R405-N407 PolarHBondContact O-N 3.46Å | ||
| 406 | Q | 45.2 | Very low | 63.5 | Low | 193 Ų | 193 | 132.2 Ų | 132.2 | 90% | 0.902 | 67% | 0.665 | S | S | * | * | trans | -59.4 | 110.3 | 152.7 | -93.7 | 179.8 | -4.5 | 0 | 0 | 104.7 | G404 G408 | G404-Q406 VanDerWaalsContact C-N 3.26Å; G404-Q406 PolarHBondContact O-N 2.94Å; Q406-G408 VanDerWaalsContact C-N 3.26Å; Q406-G408 PolarHBondContact O-N 3.43Å | ||
| 407 | N | 37.7 | Very low | 61.1 | Low | 147 Ų | 147 | 141.2 Ų | 141.2 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | trans | -56.8 | 98.5 | 165 | -82 | -17.7 | 0 | 0 | 0 | 106.7 | R405 R409 | R405-N407 VanDerWaalsContact C-N 3.34Å; R405-N407 PolarHBondContact O-N 3.46Å; N407-R409 PolarHBondContact O-N 3.48Å | ||
| 408 | G | 35.5 | Very low | 58.6 | Low | 76 Ų | 76 | 144.4 Ų | 144.4 | 78% | 0.784 | 73% | 0.731 | S | S | * | * | trans | -61 | 94.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | Q406 T410 | Q406-G408 VanDerWaalsContact C-N 3.26Å; Q406-G408 PolarHBondContact O-N 3.43Å; G408-T410 PolarHBondContact O-N 3.22Å | ||
| 409 | R | 40.9 | Very low | 55.7 | Low | 237 Ų | 237 | 144.7 Ų | 144.7 | 89% | 0.894 | 75% | 0.748 | S | S | * | * | trans | -70.2 | 118 | 153.1 | -100.9 | 179.1 | 173.6 | 165.7 | -2.7 | 105.6 | N407 | N407-R409 PolarHBondContact O-N 3.48Š| ||
| 410 | T | 43.5 | Very low | 52.5 | Low | 208 Ų | 208 | 155.5 Ų | 155.5 | 100% | 1.276 | 80% | 0.803 | S | S | * | * | trans | -28.5 | 0 | 161.5 | 47.8 | 0 | 0 | 0 | 0 | 114.7 | G408 | G408-T410 PolarHBondContact O-N 3.22Š|
Retrieved 410 of 410 residues in 564.6 ms
(Link to these results)