| 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 | 29.9 | Very low | 29.7 | Very low | 227 Ų | 227 | 155.5 Ų | 155.5 | 100% | 1.118 | 82% | 0.817 | S | S | * | * | 0 | 118 | 0 | -62.8 | 177.5 | -176.8 | 0 | 0 | 106.5 | |||||
| 2 | L | 27.4 | Very low | 30.2 | Very low | 167 Ų | 167 | 153.4 Ų | 153.4 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | 68.6 | 123.8 | 101.2 | -62.3 | 169.5 | 0 | 0 | 0 | 112.5 | |||||
| 3 | G | 27.9 | Very low | 30.1 | Very low | 59 Ų | 59 | 149.6 Ų | 149.6 | 61% | 0.608 | 82% | 0.823 | S | S | * | * | cis | -153.5 | 159.3 | -2.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 4 | L | 28.4 | Very low | 30 | Very low | 157 Ų | 157 | 155.2 Ų | 155.2 | 82% | 0.822 | 83% | 0.825 | S | S | * | * | 63.7 | 131.2 | 88.3 | -66.9 | 161 | 0 | 0 | 0 | 112.6 | |||||
| 5 | S | 30.1 | Very low | 30 | Very low | 104 Ų | 104 | 153.9 Ų | 153.9 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | cis | -163.6 | 178.9 | 13.8 | -98.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 6 | R | 33.8 | Very low | 29.9 | Very low | 216 Ų | 216 | 154.8 Ų | 154.8 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | cis | 175.3 | 177.5 | -28.5 | -162.8 | 178.6 | -167 | -151.2 | 5.9 | 106 | ||||
| 7 | I | 32.7 | Very low | 29.9 | Very low | 148 Ų | 148 | 159.5 Ų | 159.5 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | trans | 71 | 137.2 | 168.5 | -67 | 166.2 | 0 | 0 | 0 | 113 | ||||
| 8 | L | 31.6 | Very low | 29.8 | Very low | 159 Ų | 159 | 155.2 Ų | 155.2 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | cis | -147.5 | 169.1 | -10.6 | -102.8 | 165.1 | 0 | 0 | 0 | 106.6 | ||||
| 9 | G | 25.9 | Very low | 29.6 | Very low | 58 Ų | 58 | 151.2 Ų | 151.2 | 60% | 0.598 | 82% | 0.82 | S | S | * | * | cis | 133.9 | 112.8 | -10.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 10 | L | 27.9 | Very low | 29.6 | Very low | 183 Ų | 183 | 149.7 Ų | 149.7 | 96% | 0.958 | 82% | 0.822 | S | S | * | * | trans | -166.7 | 166.9 | 141.9 | -106 | 169.9 | 0 | 0 | 0 | 110.6 | ||||
| 11 | R | 30.7 | Very low | 30.1 | Very low | 233 Ų | 233 | 149 Ų | 149 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -115.4 | 157.5 | -164.5 | -76.2 | -177.4 | 173.9 | -177 | -1.4 | 114.2 | ||||
| 12 | P | 36.7 | Very low | 30 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | trans | -83.7 | 162.2 | 171.9 | 35.6 | -36.3 | 0 | 0 | 0 | 113.4 | ||||
| 13 | A | 28.7 | Very low | 30.2 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -124.1 | 166.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 14 | R | 28.9 | Very low | 30.3 | Very low | 228 Ų | 228 | 139.5 Ų | 139.5 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -157.6 | 170.6 | -167.5 | -157.7 | -170 | -160.8 | -164.6 | 8.3 | 109.3 | ||||
| 15 | I | 29.6 | Very low | 30.4 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 70% | 0.697 | 82% | 0.82 | S | S | * | * | trans | 80 | 138.1 | 164.1 | -58.5 | 172.1 | 0 | 0 | 0 | 113.1 | ||||
| 16 | H | 28.6 | Very low | 30.5 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 78% | 0.778 | 82% | 0.821 | S | S | * | * | cis | -140.5 | -163.9 | 2.6 | -132.6 | -14.6 | 0 | 0 | 0 | 115.8 | ||||
| 17 | R | 30.3 | Very low | 30.9 | Very low | 234 Ų | 234 | 136.9 Ų | 136.9 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -88.1 | 163.3 | -176.3 | -58.8 | 167 | 168.5 | 173.9 | -6 | 113.7 | ||||
| 18 | G | 26.5 | Very low | 30.7 | Very low | 82 Ų | 82 | 133.2 Ų | 133.2 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | 153.4 | 131.5 | 141.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 19 | G | 26.7 | Very low | 31.4 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 125.4 | 115.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 20 | S | 30.1 | Very low | 31.7 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 85% | 0.846 | 83% | 0.834 | S | S | * | * | trans | -142.9 | 145.1 | 154.6 | -55.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 21 | P | 38.7 | Very low | 31.8 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | -131.2 | -170.5 | 71.1 | 13.6 | 11.9 | 0 | 0 | 0 | 112.1 | |||||
| 22 | G | 29.9 | Very low | 31.9 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | cis | 137.3 | 56.4 | -4.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 23 | A | 30.9 | Very low | 31.9 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -163.8 | 154.6 | 163 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 24 | G | 29.1 | Very low | 32.4 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | cis | 124.4 | 83.6 | -3.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 25 | L | 30.7 | Very low | 32.9 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 94% | 0.937 | 82% | 0.824 | S | S | * | * | trans | -165.9 | 159.2 | 165.2 | -109.7 | 162.5 | 0 | 0 | 0 | 112.1 | ||||
| 26 | S | 31.8 | Very low | 33.5 | Very low | 107 Ų | 107 | 124.9 Ų | 124.9 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -100.9 | 165.6 | -167.2 | -61.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 27 | P | 42.3 | Very low | 34.7 | Very low | 136 Ų | 136 | 121.1 Ų | 121.1 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -79.3 | 150.9 | -174.8 | 32.2 | -36.2 | 0 | 0 | 0 | 114.1 | ||||
| 28 | G | 29.7 | Very low | 35.8 | Very low | 71 Ų | 71 | 113.4 Ų | 113.4 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | -125.6 | 149.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 29 | P | 46.5 | Very low | 36.9 | Very low | 121 Ų | 121 | 113.1 Ų | 113.1 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -95.8 | 172.1 | -173.5 | 37.9 | -36.7 | 0 | 0 | 0 | 114.6 | ||||
| 30 | S | 31.7 | Very low | 38.2 | Very low | 124 Ų | 124 | 119.1 Ų | 119.1 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | trans | 73 | 153.8 | 176 | 84.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 31 | S | 29.8 | Very low | 39.5 | Very low | 106 Ų | 106 | 119.6 Ų | 119.6 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | cis | -137.9 | 166.6 | 4.8 | 69.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 32 | C | 33.8 | Very low | 40.4 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | -108.2 | 126.9 | 172.8 | -67.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 33 | Q | 35.8 | Very low | 41.9 | Very low | 182 Ų | 182 | 120.8 Ų | 120.8 | 85% | 0.85 | 74% | 0.74 | S | S | * | * | trans | -138.1 | 126.5 | 159.5 | -73.4 | -160.8 | -6.8 | 0 | 0 | 113 | ||||
| 34 | N | 38.8 | Very low | 43.6 | Very low | 157 Ų | 157 | 118.1 Ų | 118.1 | 84% | 0.84 | 72% | 0.718 | S | S | * | * | trans | 28.3 | 108.5 | 155.3 | -66.4 | -15.3 | 0 | 0 | 0 | 120.9 | ||||
| 35 | Q | 39.1 | Very low | 45.4 | Very low | 191 Ų | 191 | 117.9 Ų | 117.9 | 89% | 0.893 | 71% | 0.705 | S | S | * | * | trans | -136.4 | 136.4 | 130 | -70.8 | -164 | 4.4 | 0 | 0 | 111.7 | ||||
| 36 | G | 43.3 | Very low | 47 | Very low | 46 Ų | 46 | 114.4 Ų | 114.4 | 47% | 0.474 | 69% | 0.687 | S | S | . | * | trans | 56.3 | 96.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | S38 S39 | G36-S38 PolarHBondContact O-N 2.95Å; G36-S39 PolarHBondContact O-N 3.18Å; G36-S39 VanDerWaalsContact O-N 3.13Å | ||
| 37 | A | 52.8 | Low | 48.6 | Very low | 89 Ų | 89 | 114.5 Ų | 114.5 | 74% | 0.736 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -55.8 | -32.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S39 R40 | A37-S39 VanDerWaalsContact C-N 3.34Å; A37-S39 PolarHBondContact O-N 3.07Å; A37-R40 PolarHBondContact O-N 3.23Å |
| 38 | S | 53.1 | Low | 49.8 | Very low | 72 Ų | 72 | 113 Ų | 113 | 50% | 0.503 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -58 | -40.8 | 176 | -173.7 | 0 | 0 | 0 | 0 | 113 | G36 R40 M41 Y42 | G36-S38 PolarHBondContact O-N 2.95Å; S38-R40 VanDerWaalsContact C-N 3.31Å; S38-R40 PolarHBondContact O-N 2.78Å; S38-M41 WeakPolarHBondContact O-CB 3.36Å; S38-M41 PolarHBondContact O-N 3.47Å; S38-M41 VanDerWaalsContact O-N 3.08Å; S38-Y42 WeakPolarHBondContact O-CD2 3.27Å; S38-Y42 PolarHBondContact O-N 2.99Å |
| 39 | S | 51.2 | Low | 51.3 | Low | 76 Ų | 76 | 115 Ų | 115 | 53% | 0.531 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -62 | -37.5 | -178.7 | -176.4 | 0 | 0 | 0 | 0 | 112.5 | G36 A37 M41 Y42 C43 | G36-S39 PolarHBondContact O-N 3.18Å; G36-S39 VanDerWaalsContact O-N 3.13Å; A37-S39 VanDerWaalsContact C-N 3.34Å; A37-S39 PolarHBondContact O-N 3.07Å; S39-M41 VanDerWaalsContact C-N 3.27Å; S39-M41 PolarHBondContact O-N 2.9Å; S39-Y42 PolarHBondContact O-N 3.32Å; S39-C43 PolarHBondContact O-N 2.99Å; S39-C43 VanDerWaalsContact O-N 3.08Å |
| 40 | R | 54.3 | Low | 51.9 | Low | 205 Ų | 205 | 115.4 Ų | 115.4 | 77% | 0.774 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.1 | -33.5 | 176.5 | -67.3 | -174.9 | 175.3 | -174.4 | -1.9 | 112.4 | A37 S38 A44 | A37-R40 PolarHBondContact O-N 3.23Å; S38-R40 VanDerWaalsContact C-N 3.31Å; S38-R40 PolarHBondContact O-N 2.78Å; R40-A44 VanDerWaalsContact O-CB 3.31Å; R40-A44 WeakPolarHBondContact O-CB 3.41Å; R40-A44 PolarHBondContact O-N 2.95Å |
| 41 | M | 56.3 | Low | 53.3 | Low | 132 Ų | 132 | 116 Ų | 116 | 65% | 0.65 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.6 | -39.1 | -179.4 | -157.9 | 153.5 | 65.5 | 0 | 0 | 111.7 | S38 S39 A44 C45 | S38-M41 WeakPolarHBondContact O-CB 3.36Å; S38-M41 PolarHBondContact O-N 3.47Å; S38-M41 VanDerWaalsContact O-N 3.08Å; S39-M41 VanDerWaalsContact C-N 3.27Å; S39-M41 PolarHBondContact O-N 2.9Å; M41-A44 PolarHBondContact O-N 3.49Å; M41-C45 PolarHBondContact O-N 2.61Å; M41-C45 PolarHBondContact O-SG 3.39Å; M41-C45 VanDerWaalsContact O-SG 3.4Å |
| 42 | Y | 58.6 | Low | 54.4 | Low | 167 Ų | 167 | 116 Ų | 116 | 66% | 0.655 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.5 | -44.6 | 171.2 | -77.8 | -77.6 | 0 | 0 | 0 | 112.6 | S38 S39 A44 C45 L46 | S38-Y42 WeakPolarHBondContact O-CD2 3.27Å; S38-Y42 PolarHBondContact O-N 2.99Å; S39-Y42 PolarHBondContact O-N 3.32Å; Y42-A44 VanDerWaalsContact C-N 3.34Å; Y42-A44 PolarHBondContact O-N 3.09Å; Y42-C45 PolarHBondContact O-N 3.01Å; Y42-L46 WeakPolarHBondContact O-CG 3.06Å; Y42-L46 PolarHBondContact O-N 3.2Å |
| 43 | C | 60 | Low | 55.3 | Low | 69 Ų | 69 | 114 Ų | 114 | 47% | 0.466 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63 | -38.8 | 175 | -72.7 | 0 | 0 | 0 | 0 | 112.6 | S39 L46 L47 | S39-C43 PolarHBondContact O-N 2.99Å; S39-C43 VanDerWaalsContact O-N 3.08Å; C43-L46 PolarHBondContact O-N 2.92Å; C43-L47 WeakPolarHBondContact O-CB 3.35Å; C43-L47 PolarHBondContact O-N 2.87Å |
| 44 | A | 67.4 | Low | 55.8 | Low | 49 Ų | 49 | 110.3 Ų | 110.3 | 41% | 0.405 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.9 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R40 M41 Y42 L47 L48 | R40-A44 VanDerWaalsContact O-CB 3.31Å; R40-A44 WeakPolarHBondContact O-CB 3.41Å; R40-A44 PolarHBondContact O-N 2.95Å; M41-A44 PolarHBondContact O-N 3.49Å; Y42-A44 VanDerWaalsContact C-N 3.34Å; Y42-A44 PolarHBondContact O-N 3.09Å; A44-L47 PolarHBondContact O-N 2.92Å; A44-L48 WeakPolarHBondContact O-CB 3.42Å; A44-L48 PolarHBondContact O-N 2.77Å |
| 45 | C | 66.1 | Low | 56.4 | Low | 68 Ų | 68 | 113.4 Ų | 113.4 | 46% | 0.459 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.5 | -38.4 | 175.6 | -72.6 | 0 | 0 | 0 | 0 | 112.6 | M41 Y42 L48 L49 | M41-C45 PolarHBondContact O-N 2.61Å; M41-C45 PolarHBondContact O-SG 3.39Å; M41-C45 VanDerWaalsContact O-SG 3.4Å; Y42-C45 PolarHBondContact O-N 3.01Å; C45-L48 PolarHBondContact O-N 2.9Å; C45-L49 WeakPolarHBondContact O-CB 3.26Å; C45-L49 WeakPolarHBondContact O-CG 3.4Å; C45-L49 PolarHBondContact O-N 3.2Å |
| 46 | L | 65.3 | Low | 56.8 | Low | 106 Ų | 106 | 109.9 Ų | 109.9 | 56% | 0.555 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.8 | -40.3 | 175.1 | -78.4 | 164.9 | 0 | 0 | 0 | 112.4 | Y42 C43 L49 L50 | Y42-L46 WeakPolarHBondContact O-CG 3.06Å; Y42-L46 PolarHBondContact O-N 3.2Å; C43-L46 PolarHBondContact O-N 2.92Å; L46-L49 PolarHBondContact O-N 2.82Å; L46-L50 WeakPolarHBondContact O-CG 3.43Å; L46-L50 PolarHBondContact O-N 3.49Å |
| 47 | L | 65.4 | Low | 57.2 | Low | 109 Ų | 109 | 114.6 Ų | 114.6 | 57% | 0.571 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.3 | -41.4 | 172.8 | -89.5 | 158.4 | 0 | 0 | 0 | 112.2 | C43 A44 L50 L51 | C43-L47 WeakPolarHBondContact O-CB 3.35Å; C43-L47 PolarHBondContact O-N 2.87Å; A44-L47 PolarHBondContact O-N 2.92Å; L47-L50 PolarHBondContact O-N 3.13Å; L47-L51 WeakPolarHBondContact O-CB 3.21Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.3Å; L47-L51 PolarHBondContact O-N 3.15Å |
| 48 | L | 66.4 | Low | 57 | Low | 103 Ų | 103 | 112.2 Ų | 112.2 | 54% | 0.539 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.6 | -41.7 | 174.2 | -90.5 | 159.5 | 0 | 0 | 0 | 112.2 | A44 C45 L50 L51 V52 | A44-L48 WeakPolarHBondContact O-CB 3.42Å; A44-L48 PolarHBondContact O-N 2.77Å; C45-L48 PolarHBondContact O-N 2.9Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 2.92Å; L48-L51 CarbonylContact O-C 3.59Å; L48-L51 PolarHBondContact O-N 3.22Å; L48-L51 VanDerWaalsContact O-N 3.14Å; L48-V52 WeakPolarHBondContact O-CB 3.02Å; L48-V52 VanDerWaalsContact O-CG2 3.27Å; L48-V52 WeakPolarHBondContact O-CG2 3.25Å; L48-V52 PolarHBondContact O-N 3.24Å |
| 49 | L | 61.4 | Low | 57 | Low | 115 Ų | 115 | 112.9 Ų | 112.9 | 60% | 0.602 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.1 | -42.7 | 173.9 | -78.1 | 164.1 | 0 | 0 | 0 | 111.8 | C45 L46 L51 V52 T53 | C45-L49 WeakPolarHBondContact O-CB 3.26Å; C45-L49 WeakPolarHBondContact O-CG 3.4Å; C45-L49 PolarHBondContact O-N 3.2Å; L46-L49 PolarHBondContact O-N 2.82Å; L49-L51 VanDerWaalsContact C-N 3.27Å; L49-L51 PolarHBondContact O-N 3.44Å; L49-V52 PolarHBondContact O-N 2.02Å; L49-T53 WeakPolarHBondContact O-CG2 3.15Å; L49-T53 PolarHBondContact O-N 3.16Å |
| 50 | L | 60.3 | Low | 56.8 | Low | 128 Ų | 128 | 119 Ų | 119 | 67% | 0.67 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.5 | -18.7 | 176 | -70.2 | 169 | 0 | 0 | 0 | 114.2 | L46 L47 L48 T53 | L46-L50 WeakPolarHBondContact O-CG 3.43Å; L46-L50 PolarHBondContact O-N 3.49Å; L47-L50 PolarHBondContact O-N 3.13Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 2.92Å; L50-T53 PolarHBondContact O-OG1 3.39Å |
| 51 | L | 60.3 | Low | 56.4 | Low | 136 Ų | 136 | 119.2 Ų | 119.2 | 71% | 0.712 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -91.3 | -21.4 | 173.4 | -71.3 | 167.6 | 0 | 0 | 0 | 113 | L47 L48 L49 | L47-L51 WeakPolarHBondContact O-CB 3.21Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.3Å; L47-L51 PolarHBondContact O-N 3.15Å; L48-L51 CarbonylContact O-C 3.59Å; L48-L51 PolarHBondContact O-N 3.22Å; L48-L51 VanDerWaalsContact O-N 3.14Å; L49-L51 VanDerWaalsContact C-N 3.27Å; L49-L51 PolarHBondContact O-N 3.44Å |
| 52 | V | 53 | Low | 55.9 | Low | 107 Ų | 107 | 121 Ų | 121 | 65% | 0.648 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -104.3 | -12.3 | -177.1 | 176.7 | 0 | 0 | 0 | 0 | 112.6 | L48 L49 P54 | L48-V52 WeakPolarHBondContact O-CB 3.02Å; L48-V52 VanDerWaalsContact O-CG2 3.27Å; L48-V52 WeakPolarHBondContact O-CG2 3.25Å; L48-V52 PolarHBondContact O-N 3.24Å; L49-V52 PolarHBondContact O-N 2.02Å; V52-P54 VanDerWaalsContact O-CD 3.29Å; V52-P54 WeakPolarHBondContact O-CD 3.44Å; V52-P54 VanDerWaalsContact O-N 3.14Å |
| 53 | T | 52 | Low | 55.5 | Low | 87 Ų | 87 | 118.6 Ų | 118.6 | 53% | 0.534 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -57 | 117.9 | 158.8 | 45.4 | 0 | 0 | 0 | 0 | 108.8 | L49 L50 R55 | L49-T53 WeakPolarHBondContact O-CG2 3.15Å; L49-T53 PolarHBondContact O-N 3.16Å; L50-T53 PolarHBondContact O-OG1 3.39Å; T53-R55 PolarHBondContact O-N 2.87Å |
| 54 | P | 46.9 | Very low | 55.1 | Low | 104 Ų | 104 | 118.8 Ų | 118.8 | 68% | 0.675 | 63% | 0.626 | S | S | * | * | trans | -61.3 | 136 | 173.4 | 26.6 | -33.4 | 0 | 0 | 0 | 108.4 | V52 V56 | V52-P54 VanDerWaalsContact O-CD 3.29Å; V52-P54 WeakPolarHBondContact O-CD 3.44Å; V52-P54 VanDerWaalsContact O-N 3.14Å; P54-V56 PolarHBondContact O-N 3.02Å | ||
| 55 | R | 51.1 | Low | 54.1 | Low | 223 Ų | 223 | 120 Ų | 120 | 84% | 0.842 | 64% | 0.636 | S | S | * | * | trans | -60.5 | 112.9 | 163.3 | -74.7 | -174.9 | -179.3 | 149.2 | 2.7 | 106.9 | T53 D57 | T53-R55 PolarHBondContact O-N 2.87Å; R55-D57 PolarHBondContact O-N 3.44Å | ||
| 56 | V | 48.7 | Very low | 53.6 | Low | 116 Ų | 116 | 120.6 Ų | 120.6 | 70% | 0.703 | 63% | 0.634 | S | S | * | * | trans | -78.4 | 71 | 178.3 | -171.2 | 0 | 0 | 0 | 0 | 108.2 | P54 S58 | P54-V56 PolarHBondContact O-N 3.02Å; V56-S58 PolarHBondContact O-N 3.13Å | ||
| 57 | D | 51.6 | Low | 53.6 | Low | 145 Ų | 145 | 117.6 Ų | 117.6 | 78% | 0.775 | 63% | 0.629 | S | S | * | * | trans | -72 | 62.5 | 174.6 | -80.9 | -49.4 | 0 | 0 | 0 | 110.4 | R55 | R55-D57 PolarHBondContact O-N 3.44Š| ||
| 58 | S | 47.5 | Very low | 53.9 | Low | 40 Ų | 40 | 113.9 Ų | 113.9 | 28% | 0.28 | 61% | 0.614 | S | S | . | * | trans | -155.1 | 52.8 | 174.3 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | V56 W60 W61 | V56-S58 PolarHBondContact O-N 3.13Å; S58-W60 PolarHBondContact O-N 2.96Å; S58-W61 PolarHBondContact O-N 3.02Å; S58-W61 VanDerWaalsContact O-N 3.15Å | ||
| 59 | S | 53.3 | Low | 54.3 | Low | 85 Ų | 85 | 117.5 Ų | 117.5 | 59% | 0.594 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | -16.1 | 166.2 | 52 | 0 | 0 | 0 | 0 | 114.1 | W61 Y62 | S59-W61 VanDerWaalsContact C-N 3.26Å; S59-W61 PolarHBondContact O-N 3.17Å; S59-Y62 WeakPolarHBondContact O-CB 3.4Å; S59-Y62 PolarHBondContact O-N 3.23Å; S59-Y62 VanDerWaalsContact O-N 3.08Å |
| 60 | W | 48.1 | Very low | 55.1 | Low | 206 Ų | 206 | 115.1 Ų | 115.1 | 78% | 0.78 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -51.1 | -36.8 | 170.8 | -67.1 | 70.9 | 0 | 0 | 0 | 113.9 | S58 Y62 I63 | S58-W60 PolarHBondContact O-N 2.96Å; W60-Y62 VanDerWaalsContact C-N 3.26Å; W60-Y62 PolarHBondContact O-N 2.83Å; W60-I63 WeakPolarHBondContact O-CB 3.44Å; W60-I63 PolarHBondContact O-N 3.12Å; W60-I63 VanDerWaalsContact O-N 3.11Å |
| 61 | W | 45.2 | Very low | 56.2 | Low | 209 Ų | 209 | 113.6 Ų | 113.6 | 79% | 0.792 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.6 | -32.4 | 177.1 | -73 | 101.9 | 0 | 0 | 0 | 112.9 | S58 S59 I63 | S58-W61 PolarHBondContact O-N 3.02Å; S58-W61 VanDerWaalsContact O-N 3.15Å; S59-W61 VanDerWaalsContact C-N 3.26Å; S59-W61 PolarHBondContact O-N 3.17Å; W61-I63 VanDerWaalsContact C-N 3.34Å |
| 62 | Y | 45.3 | Very low | 57.3 | Low | 170 Ų | 170 | 107.2 Ų | 107.2 | 67% | 0.667 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72 | -26.4 | 176.1 | -88.3 | -86.8 | 0 | 0 | 0 | 112.9 | S59 W60 G64 A65 L66 | S59-Y62 WeakPolarHBondContact O-CB 3.4Å; S59-Y62 PolarHBondContact O-N 3.23Å; S59-Y62 VanDerWaalsContact O-N 3.08Å; W60-Y62 VanDerWaalsContact C-N 3.26Å; W60-Y62 PolarHBondContact O-N 2.83Å; Y62-G64 VanDerWaalsContact C-N 3.27Å; Y62-G64 PolarHBondContact O-N 2.91Å; Y62-A65 PolarHBondContact O-N 2.92Å; Y62-L66 VanDerWaalsContact O-CG 3.3Å; Y62-L66 WeakPolarHBondContact O-CG 3.36Å; Y62-L66 PolarHBondContact O-N 3.42Å |
| 63 | I | 51.2 | Low | 58.8 | Low | 116 Ų | 116 | 105.3 Ų | 105.3 | 60% | 0.595 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.6 | -33.4 | -179.9 | -56.9 | 179.2 | 0 | 0 | 0 | 110.9 | W60 W61 | W60-I63 WeakPolarHBondContact O-CB 3.44Å; W60-I63 PolarHBondContact O-N 3.12Å; W60-I63 VanDerWaalsContact O-N 3.11Å; W61-I63 VanDerWaalsContact C-N 3.34Å |
| 64 | G | 50.1 | Low | 60.2 | Low | 72 Ų | 72 | 106.9 Ų | 106.9 | 74% | 0.742 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -75.3 | -25.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y62 | Y62-G64 VanDerWaalsContact C-N 3.27Å; Y62-G64 PolarHBondContact O-N 2.91Å |
| 65 | A | 46.8 | Very low | 61.9 | Low | 74 Ų | 74 | 104.5 Ų | 104.5 | 61% | 0.612 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -89.4 | -22.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y62 G67 | Y62-A65 PolarHBondContact O-N 2.92Å; A65-G67 PolarHBondContact O-N 2.69Å |
| 66 | L | 55.4 | Low | 63.4 | Low | 82 Ų | 82 | 97.8 Ų | 97.8 | 43% | 0.429 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -74.6 | 63.4 | 174 | -67.6 | 170.6 | 0 | 0 | 0 | 111 | Y62 V70 I71 | Y62-L66 VanDerWaalsContact O-CG 3.3Å; Y62-L66 WeakPolarHBondContact O-CG 3.36Å; Y62-L66 PolarHBondContact O-N 3.42Å; L66-V70 HydrophobicContact CB-CB 4.48Å; L66-V70 HydrophobicContact CD2-CB 4.41Å; L66-V70 HydrophobicContact CD2-CG1 4Å; L66-I71 WeakPolarHBondContact O-CD1 2.95Å |
| 67 | G | 65.8 | Low | 64.8 | Low | 43 Ų | 43 | 94 Ų | 94 | 44% | 0.443 | 51% | 0.511 | S | S | . | . | trans | -51.6 | 147.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A65 R69 V70 | A65-G67 PolarHBondContact O-N 2.69Å; G67-R69 CarbonylContact O-C 3.55Å; G67-R69 PolarHBondContact O-N 2.9Å; G67-V70 PolarHBondContact O-N 3.11Å | ||
| 68 | A | 72.3 | Confident | 66.5 | Low | 31 Ų | 31 | 88.4 Ų | 88.4 | 26% | 0.256 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -20.9 | -48.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | V70 I71 C72 P90 | A68-V70 PolarHBondContact O-N 2.91Å; A68-I71 PolarHBondContact O-N 2.79Å; A68-C72 WeakPolarHBondContact O-CB 3.37Å; A68-C72 PolarHBondContact O-N 2.82Å; A68-C72 PolarHBondContact O-SG 2.6Å; A68-P90 HydrophobicContact CB-CB 3.68Å; A68-P90 HydrophobicContact CB-CG 3.85Å |
| 69 | R | 74.9 | Confident | 68.5 | Low | 179 Ų | 179 | 88.7 Ų | 88.7 | 68% | 0.675 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -49.4 | -49 | 175.4 | -171.4 | 172.6 | -176.2 | 170.7 | -0.1 | 113.8 | G67 I71 C72 D73 Q87 | G67-R69 CarbonylContact O-C 3.55Å; G67-R69 PolarHBondContact O-N 2.9Å; R69-I71 PolarHBondContact O-N 2.89Å; R69-C72 PolarHBondContact O-N 2.79Å; R69-D73 WeakPolarHBondContact CG-OD2 3.46Å; R69-D73 VanDerWaalsContact O-CB 3.3Å; R69-D73 WeakPolarHBondContact O-CB 3.36Å; R69-D73 PolarHBondContact O-N 2.97Å; R69-Q87 HydrophobicContact CB-CG 4.49Å; R69-Q87 HydrophobicContact CG-CG 4.38Å |
| 70 | V | 78.3 | Confident | 70.3 | Confident | 64 Ų | 64 | 90.7 Ų | 90.7 | 39% | 0.388 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | -177.2 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | L66 G67 A68 N74 | L66-V70 HydrophobicContact CB-CB 4.48Å; L66-V70 HydrophobicContact CD2-CB 4.41Å; L66-V70 HydrophobicContact CD2-CG1 4Å; G67-V70 PolarHBondContact O-N 3.11Å; A68-V70 PolarHBondContact O-N 2.91Å; V70-N74 WeakPolarHBondContact O-CB 3.26Å; V70-N74 PolarHBondContact O-N 2.85Å; V70-N74 PolarHBondContact O-ND2 2.89Å |
| 71 | I | 81.8 | Confident | 72.3 | Confident | 96 Ų | 96 | 86.1 Ų | 86.1 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.2 | -55.3 | 173 | -62.8 | 165.7 | 0 | 0 | 0 | 109.4 | L66 A68 R69 D73 N74 I75 | L66-I71 WeakPolarHBondContact O-CD1 2.95Å; A68-I71 PolarHBondContact O-N 2.79Å; R69-I71 PolarHBondContact O-N 2.89Å; I71-D73 VanDerWaalsContact C-N 3.26Å; I71-D73 PolarHBondContact O-N 2.89Å; I71-N74 PolarHBondContact O-N 2.88Å; I71-I75 WeakPolarHBondContact O-CG1 3.34Å; I71-I75 PolarHBondContact O-N 3.09Å; I71-I75 VanDerWaalsContact O-N 3.14Å |
| 72 | C | 84 | Confident | 74.4 | Confident | 2 Ų | 2 | 76.8 Ų | 76.8 | 1% | 0.014 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.9 | -28.8 | -177.8 | -68.1 | 0 | 0 | 0 | 0 | 114.7 | A68 R69 R83 C86 Q87 | A68-C72 WeakPolarHBondContact O-CB 3.37Å; A68-C72 PolarHBondContact O-N 2.82Å; A68-C72 PolarHBondContact O-SG 2.6Å; R69-C72 PolarHBondContact O-N 2.79Å; C72-R83 PolarHBondContact O-NH1 2.88Å; C72-C86 WeakPolarHBondContact CA-SG 3.23Å; C72-C86 HydrophobicContact CB-CB 3.72Å; C72-C86 WeakPolarHBondContact CB-SG 3.13Å; C72-C86 WeakPolarHBondContact SG-CB 3.39Å; C72-C86 PolarHBondContact SG-O 3.47Å; C72-C86 CovalentContact SG-SG 2.03Å; C72-C86 PolarHBondContact SG-SG 3.3Å; C72-Q87 HydrophobicContact CB-CG 3.89Å; C72-Q87 PolarHBondContact SG-N 2.82Å; C72-Q87 VanDerWaalsContact SG-N 3.38Å |
| 73 | D | 83.9 | Confident | 76.6 | Confident | 67 Ų | 67 | 70.9 Ų | 70.9 | 36% | 0.358 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -84.4 | -21.1 | 178.3 | -66.6 | -17.3 | 0 | 0 | 0 | 112.1 | R69 I71 R83 Q87 | R69-D73 WeakPolarHBondContact CG-OD2 3.46Å; R69-D73 VanDerWaalsContact O-CB 3.3Å; R69-D73 WeakPolarHBondContact O-CB 3.36Å; R69-D73 PolarHBondContact O-N 2.97Å; I71-D73 VanDerWaalsContact C-N 3.26Å; I71-D73 PolarHBondContact O-N 2.89Å; D73-R83 VanDerWaalsContact C-NH1 3.33Å; D73-R83 PolarHBondContact O-NH1 3.5Å; D73-Q87 PolarHBondContact OD1-NE2 3.48Å; D73-Q87 PolarHBondContact OD2-NE2 2.93Å |
| 74 | N | 83.3 | Confident | 78.5 | Confident | 121 Ų | 121 | 70.5 Ų | 70.5 | 65% | 0.647 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -92.3 | -14.3 | 175 | -77.9 | -77.5 | 0 | 0 | 0 | 115.1 | V70 I71 P76 | V70-N74 WeakPolarHBondContact O-CB 3.26Å; V70-N74 PolarHBondContact O-N 2.85Å; V70-N74 PolarHBondContact O-ND2 2.89Å; I71-N74 PolarHBondContact O-N 2.88Å; N74-P76 WeakPolarHBondContact O-CD 3.13Å |
| 75 | I | 81.9 | Confident | 80.4 | Confident | 53 Ų | 53 | 68 Ų | 68 | 27% | 0.272 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -61.5 | 122.5 | 174 | -59.9 | 168.1 | 0 | 0 | 0 | 109.1 | I71 L78 R83 M93 | I71-I75 WeakPolarHBondContact O-CG1 3.34Å; I71-I75 PolarHBondContact O-N 3.09Å; I71-I75 VanDerWaalsContact O-N 3.14Å; I75-L78 HydrophobicContact CB-CD1 3.82Å; I75-L78 HydrophobicContact CB-CG 4.06Å; I75-L78 HydrophobicContact CD1-CD1 3.94Å; I75-L78 HydrophobicContact CG1-CD1 4.47Å; I75-L78 HydrophobicContact CG2-CD1 3.85Å; I75-L78 HydrophobicContact CG2-CD2 4.39Å; I75-L78 HydrophobicContact CG2-CG 3.71Å; I75-R83 VanDerWaalsContact O-CZ 3.3Å; I75-R83 PolarHBondContact O-NH1 2.68Å; I75-R83 PolarHBondContact O-NH2 3.31Å; I75-M93 HydrophobicContact CD1-CE 4.26Å |
| 76 | P | 81.3 | Confident | 82.5 | Confident | 82 Ų | 82 | 64.5 Ų | 64.5 | 53% | 0.532 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 154.9 | -179.6 | 31.9 | -36.4 | 0 | 0 | 0 | 111.3 | N74 L78 H125 | N74-P76 WeakPolarHBondContact O-CD 3.13Å; P76-L78 PolarHBondContact O-N 2.93Å; P76-L78 VanDerWaalsContact O-N 3.08Å; P76-H125 HydrophobicContact CB-CB 3.96Å; P76-H125 HydrophobicContact CG-CB 4.06Å |
| 77 | G | 80.1 | Confident | 84.2 | Confident | 38 Ų | 38 | 64 Ų | 64 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -11.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 78 | L | 85.6 | Confident | 85.3 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 14% | 0.141 | 35% | 0.351 | C | S | . | . | trans | -70.7 | 134.5 | 173.5 | -63.8 | -169.3 | 0 | 0 | 0 | 112.1 | I75 P76 Q82 R83 F202 | I75-L78 HydrophobicContact CB-CD1 3.82Å; I75-L78 HydrophobicContact CB-CG 4.06Å; I75-L78 HydrophobicContact CD1-CD1 3.94Å; I75-L78 HydrophobicContact CG1-CD1 4.47Å; I75-L78 HydrophobicContact CG2-CD1 3.85Å; I75-L78 HydrophobicContact CG2-CD2 4.39Å; I75-L78 HydrophobicContact CG2-CG 3.71Å; P76-L78 PolarHBondContact O-N 2.93Å; P76-L78 VanDerWaalsContact O-N 3.08Å; L78-Q82 HydrophobicContact CB-CB 4.15Å; L78-Q82 HydrophobicContact CD2-CB 4.09Å; L78-Q82 HydrophobicContact CG-CB 4.48Å; L78-R83 HydrophobicContact CB-CG 3.9Å; L78-R83 HydrophobicContact CD1-CG 4.49Å; L78-R83 PolarHBondContact O-NE 2.92Å; L78-R83 VanDerWaalsContact O-NE 3.16Å; L78-R83 PolarHBondContact O-NH2 3.19Å; L78-F202 HydrophobicContact CD2-CZ 4.04Å | ||
| 79 | V | 89.8 | Confident | 86.1 | Confident | 45 Ų | 45 | 69.5 Ų | 69.5 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | trans | -84.2 | 160.4 | 171.1 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | K81 Q82 R83 K206 | V79-K81 PolarHBondContact O-N 2.67Å; V79-Q82 HydrophobicContact CG2-CB 4.3Å; V79-Q82 HydrophobicContact CG2-CG 3.9Å; V79-Q82 VanDerWaalsContact N-OE1 3.07Å; V79-Q82 WeakPolarHBondContact O-CA 3.47Å; V79-Q82 WeakPolarHBondContact O-CB 3.11Å; V79-Q82 PolarHBondContact O-N 2.63Å; V79-R83 PolarHBondContact O-N 3.46Å; V79-K206 HydrophobicContact CG1-CB 4.33Å; V79-K206 HydrophobicContact CG1-CG 4.08Å | ||
| 80 | N | 90.6 | Very high | 86.8 | Confident | 127 Ų | 127 | 64 Ų | 64 | 68% | 0.679 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -50.1 | -40.2 | -174.7 | -60.2 | 9.1 | 0 | 0 | 0 | 113.9 | Q82 R83 Q84 | N80-Q82 PolarHBondContact O-N 3.26Å; N80-R83 PolarHBondContact O-N 3.18Å; N80-Q84 WeakPolarHBondContact O-CG 3.47Å; N80-Q84 PolarHBondContact O-N 3.46Å |
| 81 | K | 90.1 | Very high | 87.3 | Confident | 110 Ų | 110 | 62.9 Ų | 62.9 | 48% | 0.478 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.4 | -34.1 | 176.7 | -177.9 | 172 | 175.2 | -179.9 | 0 | 113.2 | V79 L85 A205 | V79-K81 PolarHBondContact O-N 2.67Å; K81-L85 WeakPolarHBondContact O-CG 3.3Å; K81-L85 PolarHBondContact O-N 2.63Å; K81-A205 HydrophobicContact CB-CB 4.25Å; K81-A205 HydrophobicContact CD-CB 3.87Å; K81-A205 HydrophobicContact CG-CB 4Å |
| 82 | Q | 91.1 | Very high | 87.7 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.5 | -39.7 | 173.2 | -69.3 | 170.9 | -34.4 | 0 | 0 | 111.2 | L78 V79 N80 L85 C86 F202 A205 | L78-Q82 HydrophobicContact CB-CB 4.15Å; L78-Q82 HydrophobicContact CD2-CB 4.09Å; L78-Q82 HydrophobicContact CG-CB 4.48Å; V79-Q82 HydrophobicContact CG2-CB 4.3Å; V79-Q82 HydrophobicContact CG2-CG 3.9Å; V79-Q82 VanDerWaalsContact N-OE1 3.07Å; V79-Q82 WeakPolarHBondContact O-CA 3.47Å; V79-Q82 WeakPolarHBondContact O-CB 3.11Å; V79-Q82 PolarHBondContact O-N 2.63Å; N80-Q82 PolarHBondContact O-N 3.26Å; Q82-L85 PolarHBondContact O-N 3.14Å; Q82-C86 WeakPolarHBondContact O-CB 3.5Å; Q82-C86 PolarHBondContact O-N 3.24Å; Q82-F202 HydrophobicContact CB-CD2 4.22Å; Q82-F202 HydrophobicContact CB-CE2 3.68Å; Q82-F202 HydrophobicContact CB-CZ 4.15Å; Q82-F202 HydrophobicContact CG-CD2 4.09Å; Q82-F202 HydrophobicContact CG-CE2 3.91Å; Q82-F202 HydrophobicContact CG-CZ 4.23Å; Q82-F202 WeakPolarHBondContact CG-O 3.41Å; Q82-F202 PolarHBondContact NE2-O 3.49Å; Q82-A205 HydrophobicContact CG-CB 3.94Å |
| 83 | R | 91.1 | Very high | 88 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 17% | 0.174 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | 173.7 | -61.2 | -172.9 | -170.3 | -77.6 | -2.2 | 111.5 | C72 D73 I75 L78 V79 N80 L85 C86 Q87 | C72-R83 PolarHBondContact O-NH1 2.88Å; D73-R83 VanDerWaalsContact C-NH1 3.33Å; D73-R83 PolarHBondContact O-NH1 3.5Å; I75-R83 VanDerWaalsContact O-CZ 3.3Å; I75-R83 PolarHBondContact O-NH1 2.68Å; I75-R83 PolarHBondContact O-NH2 3.31Å; L78-R83 HydrophobicContact CB-CG 3.9Å; L78-R83 HydrophobicContact CD1-CG 4.49Å; L78-R83 PolarHBondContact O-NE 2.92Å; L78-R83 VanDerWaalsContact O-NE 3.16Å; L78-R83 PolarHBondContact O-NH2 3.19Å; V79-R83 PolarHBondContact O-N 3.46Å; N80-R83 PolarHBondContact O-N 3.18Å; R83-L85 VanDerWaalsContact C-N 3.31Å; R83-L85 PolarHBondContact O-N 3.2Å; R83-C86 WeakPolarHBondContact O-CB 3.33Å; R83-C86 PolarHBondContact O-N 3.04Å; R83-Q87 WeakPolarHBondContact O-CB 3.04Å; R83-Q87 WeakPolarHBondContact O-CG 2.98Å; R83-Q87 PolarHBondContact O-N 2.78Å |
| 84 | Q | 91.5 | Very high | 88.2 | Confident | 108 Ų | 108 | 62.5 Ų | 62.5 | 51% | 0.505 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.3 | -33.9 | 174.3 | -73.1 | 171.6 | -5 | 0 | 0 | 113.8 | N80 R88 | N80-Q84 WeakPolarHBondContact O-CG 3.47Å; N80-Q84 PolarHBondContact O-N 3.46Å; Q84-R88 WeakPolarHBondContact O-CB 3.31Å; Q84-R88 PolarHBondContact O-N 3.09Å |
| 85 | L | 89.8 | Confident | 88.6 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.9 | -44.3 | 174.1 | -73.2 | 166.1 | 0 | 0 | 0 | 111.1 | K81 Q82 R83 R88 H89 F198 T201 F202 | K81-L85 WeakPolarHBondContact O-CG 3.3Å; K81-L85 PolarHBondContact O-N 2.63Å; Q82-L85 PolarHBondContact O-N 3.14Å; R83-L85 VanDerWaalsContact C-N 3.31Å; R83-L85 PolarHBondContact O-N 3.2Å; L85-R88 PolarHBondContact O-N 2.89Å; L85-H89 WeakPolarHBondContact O-CB 3.43Å; L85-H89 PolarHBondContact O-CD2 2.97Å; L85-H89 PolarHBondContact O-N 3.25Å; L85-F198 HydrophobicContact CB-CZ 4.46Å; L85-T201 HydrophobicContact CD1-CG2 4.26Å; L85-F202 HydrophobicContact CB-CD2 4.06Å; L85-F202 HydrophobicContact CD1-CB 4.16Å; L85-F202 HydrophobicContact CD1-CD2 3.94Å |
| 86 | C | 90.1 | Very high | 89 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 175.2 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | C72 Q82 R83 R88 H89 M93 | C72-C86 WeakPolarHBondContact CA-SG 3.23Å; C72-C86 HydrophobicContact CB-CB 3.72Å; C72-C86 WeakPolarHBondContact CB-SG 3.13Å; C72-C86 WeakPolarHBondContact SG-CB 3.39Å; C72-C86 PolarHBondContact SG-O 3.47Å; C72-C86 CovalentContact SG-SG 2.03Å; C72-C86 PolarHBondContact SG-SG 3.3Å; Q82-C86 WeakPolarHBondContact O-CB 3.5Å; Q82-C86 PolarHBondContact O-N 3.24Å; R83-C86 WeakPolarHBondContact O-CB 3.33Å; R83-C86 PolarHBondContact O-N 3.04Å; C86-R88 VanDerWaalsContact C-N 3.25Å; C86-R88 PolarHBondContact O-N 3.07Å; C86-H89 CarbonylContact O-C 3.07Å; C86-H89 VanDerWaalsContact O-C 3.23Å; C86-H89 PolarHBondContact O-N 3.28Å; C86-H89 VanDerWaalsContact O-N 3.14Å; C86-M93 HydrophobicContact CB-CG 3.72Å; C86-M93 HydrophobicContact CB-SD 4.16Å |
| 87 | Q | 90.7 | Very high | 89.3 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.1 | -34.5 | 178.7 | -75 | 169.9 | -0.7 | 0 | 0 | 112.7 | R69 C72 D73 R83 | R69-Q87 HydrophobicContact CB-CG 4.49Å; R69-Q87 HydrophobicContact CG-CG 4.38Å; C72-Q87 HydrophobicContact CB-CG 3.89Å; C72-Q87 PolarHBondContact SG-N 2.82Å; C72-Q87 VanDerWaalsContact SG-N 3.38Å; D73-Q87 PolarHBondContact OD1-NE2 3.48Å; D73-Q87 PolarHBondContact OD2-NE2 2.93Å; R83-Q87 WeakPolarHBondContact O-CB 3.04Å; R83-Q87 WeakPolarHBondContact O-CG 2.98Å; R83-Q87 PolarHBondContact O-N 2.78Å |
| 88 | R | 89.8 | Confident | 89.7 | Confident | 158 Ų | 158 | 56.5 Ų | 56.5 | 60% | 0.596 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -83.9 | -25.1 | 178.7 | -163.2 | -176.2 | -68.2 | 104.8 | -1.1 | 112.8 | Q84 L85 C86 | Q84-R88 WeakPolarHBondContact O-CB 3.31Å; Q84-R88 PolarHBondContact O-N 3.09Å; L85-R88 PolarHBondContact O-N 2.89Å; C86-R88 VanDerWaalsContact C-N 3.25Å; C86-R88 PolarHBondContact O-N 3.07Å |
| 89 | H | 89.1 | Confident | 89.8 | Confident | 32 Ų | 32 | 55.4 Ų | 55.4 | 15% | 0.148 | 28% | 0.277 | C | S | . | . | trans | -141.3 | 69.4 | -170.7 | -47.6 | -56.2 | 0 | 0 | 0 | 111.3 | L85 C86 I92 M93 L165 | L85-H89 WeakPolarHBondContact O-CB 3.43Å; L85-H89 PolarHBondContact O-CD2 2.97Å; L85-H89 PolarHBondContact O-N 3.25Å; C86-H89 CarbonylContact O-C 3.07Å; C86-H89 VanDerWaalsContact O-C 3.23Å; C86-H89 PolarHBondContact O-N 3.28Å; C86-H89 VanDerWaalsContact O-N 3.14Å; H89-I92 HydrophobicContact CB-CB 3.96Å; H89-I92 HydrophobicContact CB-CD1 3.82Å; H89-I92 HydrophobicContact CB-CG1 3.98Å; H89-I92 PolarHBondContact O-N 3.27Å; H89-M93 PolarHBondContact O-N 3.34Å; H89-L165 HydrophobicContact CB-CD1 3.97Å; H89-L165 WeakPolarHBondContact ND1-CD1 3.49Å | ||
| 90 | P | 88.9 | Confident | 89.8 | Confident | 63 Ų | 63 | 55 Ų | 55 | 41% | 0.409 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -71.1 | -30.9 | -177.3 | 28 | -34.9 | 0 | 0 | 0 | 113.3 | A68 M93 Q94 | A68-P90 HydrophobicContact CB-CB 3.68Å; A68-P90 HydrophobicContact CB-CG 3.85Å; P90-M93 WeakPolarHBondContact O-CB 3.32Å; P90-M93 PolarHBondContact O-N 2.8Å; P90-M93 VanDerWaalsContact O-N 3.13Å; P90-Q94 PolarHBondContact O-N 2.96Å |
| 91 | D | 89.1 | Confident | 89.8 | Confident | 40 Ų | 40 | 55 Ų | 55 | 21% | 0.214 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58 | -47.9 | 172.8 | 58.3 | -26.7 | 0 | 0 | 0 | 111.2 | M93 Q94 A95 L163 K164 | D91-M93 PolarHBondContact O-N 3.24Å; D91-Q94 PolarHBondContact O-N 2.84Å; D91-A95 PolarHBondContact O-N 3.22Å; D91-A95 VanDerWaalsContact O-N 3.14Å; D91-L163 VanDerWaalsContact C-CD2 3.4Å; D91-L163 HydrophobicContact CB-CD2 3.85Å; D91-L163 WeakPolarHBondContact O-CD2 3.43Å; D91-K164 PolarHBondContact OD2-N 3.22Å |
| 92 | I | 90.4 | Very high | 90 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.6 | -35.5 | 174.8 | -64.9 | -170.3 | 0 | 0 | 0 | 111.4 | H89 I96 L154 L163 L165 Y194 F198 | H89-I92 HydrophobicContact CB-CB 3.96Å; H89-I92 HydrophobicContact CB-CD1 3.82Å; H89-I92 HydrophobicContact CB-CG1 3.98Å; H89-I92 PolarHBondContact O-N 3.27Å; I92-I96 HydrophobicContact CG2-CD1 4.06Å; I92-I96 VanDerWaalsContact O-CG1 3.26Å; I92-I96 WeakPolarHBondContact O-CG1 3.28Å; I92-I96 PolarHBondContact O-N 3.49Å; I92-L154 HydrophobicContact CB-CD2 4.43Å; I92-L154 HydrophobicContact CG2-CD1 4.18Å; I92-L154 HydrophobicContact CG2-CD2 3.62Å; I92-L163 HydrophobicContact CG1-CD1 4.27Å; I92-L163 HydrophobicContact CG1-CD2 4.05Å; I92-L165 HydrophobicContact CD1-CB 4.35Å; I92-L165 HydrophobicContact CD1-CD1 3.83Å; I92-L165 HydrophobicContact CG1-CD1 4.18Å; I92-Y194 VanDerWaalsContact CD1-OH 3.3Å; I92-Y194 WeakPolarHBondContact CD1-OH 3.27Å; I92-F198 HydrophobicContact CD1-CD2 4.08Å; I92-F198 HydrophobicContact CD1-CE2 3.88Å; I92-F198 HydrophobicContact CG2-CD1 4.01Å; I92-F198 HydrophobicContact CG2-CD2 4.3Å; I92-F198 HydrophobicContact CG2-CE1 3.55Å; I92-F198 HydrophobicContact CG2-CE2 3.88Å; I92-F198 HydrophobicContact CG2-CG 4.38Å; I92-F198 HydrophobicContact CG2-CZ 3.5Å; I92-F198 VanDerWaalsContact CG2-CZ 3.5Å |
| 93 | M | 89.4 | Confident | 90.2 | Very high | 29 Ų | 29 | 52.7 Ų | 52.7 | 14% | 0.143 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -75.9 | -31.3 | -180 | -72.3 | -65 | -48.1 | 0 | 0 | 113.6 | I75 C86 H89 P90 D91 I96 G97 F202 | I75-M93 HydrophobicContact CD1-CE 4.26Å; C86-M93 HydrophobicContact CB-CG 3.72Å; C86-M93 HydrophobicContact CB-SD 4.16Å; H89-M93 PolarHBondContact O-N 3.34Å; P90-M93 WeakPolarHBondContact O-CB 3.32Å; P90-M93 PolarHBondContact O-N 2.8Å; P90-M93 VanDerWaalsContact O-N 3.13Å; D91-M93 PolarHBondContact O-N 3.24Å; M93-I96 PolarHBondContact O-N 3.19Å; M93-I96 HydrophobicContact SD-CD1 3.96Å; M93-G97 PolarHBondContact O-N 3.06Å; M93-F202 HydrophobicContact CE-CE2 4.32Å; M93-F202 HydrophobicContact CE-CZ 3.82Å; M93-F202 HydrophobicContact SD-CD2 4.39Å; M93-F202 HydrophobicContact SD-CE1 4.39Å; M93-F202 HydrophobicContact SD-CE2 3.56Å; M93-F202 VanDerWaalsContact SD-CE2 3.56Å; M93-F202 HydrophobicContact SD-CZ 3.56Å; M93-F202 VanDerWaalsContact SD-CZ 3.56Å |
| 94 | Q | 88 | Confident | 90.3 | Very high | 129 Ų | 129 | 51.6 Ų | 51.6 | 60% | 0.603 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63 | -50.3 | 169.1 | 179.8 | 175.9 | -15.2 | 0 | 0 | 110.5 | P90 D91 I96 G97 E98 | P90-Q94 PolarHBondContact O-N 2.96Å; D91-Q94 PolarHBondContact O-N 2.84Å; Q94-I96 VanDerWaalsContact C-N 3.27Å; Q94-I96 PolarHBondContact O-N 3.38Å; Q94-G97 WeakPolarHBondContact O-CA 3.25Å; Q94-G97 PolarHBondContact O-N 3.49Å; Q94-E98 HydrophobicContact CG-CG 4.49Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.43Å; Q94-E98 PolarHBondContact NE2-OE1 2.04Å; Q94-E98 PolarHBondContact O-N 2.8Å |
| 95 | A | 92.1 | Very high | 90.5 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.1 | -36.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D91 G99 L154 A157 L163 | D91-A95 PolarHBondContact O-N 3.22Å; D91-A95 VanDerWaalsContact O-N 3.14Å; A95-G99 PolarHBondContact O-N 3.48Å; A95-L154 HydrophobicContact CB-CD2 4.12Å; A95-A157 HydrophobicContact CB-CB 3.93Å; A95-L163 HydrophobicContact CB-CD1 4.4Å; A95-L163 HydrophobicContact CB-CD2 4.2Å |
| 96 | I | 91.1 | Very high | 90.9 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 171.7 | -71.9 | 167.7 | 0 | 0 | 0 | 111.8 | I92 M93 Q94 T100 V150 L154 F198 F202 | I92-I96 HydrophobicContact CG2-CD1 4.06Å; I92-I96 VanDerWaalsContact O-CG1 3.26Å; I92-I96 WeakPolarHBondContact O-CG1 3.28Å; I92-I96 PolarHBondContact O-N 3.49Å; M93-I96 PolarHBondContact O-N 3.19Å; M93-I96 HydrophobicContact SD-CD1 3.96Å; Q94-I96 VanDerWaalsContact C-N 3.27Å; Q94-I96 PolarHBondContact O-N 3.38Å; I96-T100 VanDerWaalsContact O-CB 3.28Å; I96-T100 WeakPolarHBondContact O-CB 3.4Å; I96-T100 PolarHBondContact O-N 2.97Å; I96-T100 PolarHBondContact O-OG1 2.89Å; I96-V150 HydrophobicContact CD1-CG1 4.22Å; I96-V150 HydrophobicContact CG1-CG1 4.15Å; I96-V150 HydrophobicContact CG2-CG2 4.36Å; I96-L154 HydrophobicContact CD1-CD1 4.25Å; I96-L154 HydrophobicContact CD1-CD2 4.42Å; I96-L154 HydrophobicContact CG1-CD1 4.3Å; I96-L154 HydrophobicContact CG1-CD2 3.93Å; I96-L154 HydrophobicContact CG1-CG 4.15Å; I96-F198 HydrophobicContact CD1-CE1 3.97Å; I96-F202 HydrophobicContact CD1-CD1 4.49Å |
| 97 | G | 87.7 | Confident | 91.3 | Very high | 42 Ų | 42 | 53.6 Ų | 53.6 | 43% | 0.433 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M93 Q94 T100 | M93-G97 PolarHBondContact O-N 3.06Å; Q94-G97 WeakPolarHBondContact O-CA 3.25Å; Q94-G97 PolarHBondContact O-N 3.49Å; G97-T100 PolarHBondContact O-N 3.14Å |
| 98 | E | 87.4 | Confident | 91.5 | Very high | 102 Ų | 102 | 53.2 Ų | 53.2 | 48% | 0.477 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.9 | -50.4 | 177.5 | -68.4 | 178.3 | -158.3 | 0 | 0 | 111.4 | Q94 T100 K101 | Q94-E98 HydrophobicContact CG-CG 4.49Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.43Å; Q94-E98 PolarHBondContact NE2-OE1 2.04Å; Q94-E98 PolarHBondContact O-N 2.8Å; E98-T100 PolarHBondContact O-N 2.04Å; E98-T100 VanDerWaalsContact O-N 3.16Å; E98-K101 WeakPolarHBondContact O-CB 3.41Å; E98-K101 PolarHBondContact O-N 2.84Å; E98-K101 VanDerWaalsContact O-N 3.13Å |
| 99 | G | 88.2 | Confident | 91.9 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.4 | -16.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A95 K101 E102 W103 | A95-G99 PolarHBondContact O-N 3.48Å; G99-K101 VanDerWaalsContact C-N 3.28Å; G99-K101 PolarHBondContact O-N 3.03Å; G99-E102 WeakPolarHBondContact O-CB 3.41Å; G99-E102 PolarHBondContact O-N 2.88Å; G99-E102 VanDerWaalsContact O-N 3.17Å; G99-W103 PolarHBondContact O-N 2.86Å |
| 100 | T | 90.5 | Very high | 92.3 | Very high | 36 Ų | 36 | 48 Ų | 48 | 22% | 0.221 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.8 | -32.9 | 173.5 | -72.5 | 0 | 0 | 0 | 0 | 112.3 | I96 G97 E98 E102 W103 I104 | I96-T100 VanDerWaalsContact O-CB 3.28Å; I96-T100 WeakPolarHBondContact O-CB 3.4Å; I96-T100 PolarHBondContact O-N 2.97Å; I96-T100 PolarHBondContact O-OG1 2.89Å; G97-T100 PolarHBondContact O-N 3.14Å; E98-T100 PolarHBondContact O-N 2.04Å; E98-T100 VanDerWaalsContact O-N 3.16Å; T100-E102 PolarHBondContact O-N 3.41Å; T100-W103 HydrophobicContact CG2-CZ2 4.33Å; T100-I104 HydrophobicContact CG2-CD1 3.52Å; T100-I104 HydrophobicContact CG2-CG1 4.21Å; T100-I104 WeakPolarHBondContact O-CB 3.33Å; T100-I104 WeakPolarHBondContact O-CD1 3.43Å; T100-I104 WeakPolarHBondContact O-CG1 3.38Å; T100-I104 PolarHBondContact O-N 3.23Å |
| 101 | K | 90.5 | Very high | 92.7 | Very high | 127 Ų | 127 | 45 Ų | 45 | 55% | 0.552 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -64.2 | -29 | 174.9 | -60.8 | 172.6 | -175.6 | 169.7 | 0 | 112.3 | E98 G99 R105 | E98-K101 WeakPolarHBondContact O-CB 3.41Å; E98-K101 PolarHBondContact O-N 2.84Å; E98-K101 VanDerWaalsContact O-N 3.13Å; G99-K101 VanDerWaalsContact C-N 3.28Å; G99-K101 PolarHBondContact O-N 3.03Å; K101-R105 WeakPolarHBondContact O-CB 3Å; K101-R105 VanDerWaalsContact O-CD 3.28Å; K101-R105 WeakPolarHBondContact O-CD 3.43Å; K101-R105 WeakPolarHBondContact O-CG 3.26Å; K101-R105 PolarHBondContact O-N 3.44Å |
| 102 | E | 93.1 | Very high | 93 | Very high | 55 Ų | 55 | 48.8 Ų | 48.8 | 26% | 0.257 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -73.8 | -50.4 | -177.2 | -168.7 | 165.3 | -157.7 | 0 | 0 | 111.7 | G99 T100 R105 E106 Y152 R156 | G99-E102 WeakPolarHBondContact O-CB 3.41Å; G99-E102 PolarHBondContact O-N 2.88Å; G99-E102 VanDerWaalsContact O-N 3.17Å; T100-E102 PolarHBondContact O-N 3.41Å; E102-R105 PolarHBondContact O-N 3.06Å; E102-E106 PolarHBondContact O-N 3.49Å; E102-Y152 WeakPolarHBondContact OE1-CE1 3.22Å; E102-R156 VanDerWaalsContact CD-NH1 3.29Å; E102-R156 IonicContact OE1-CZ 3.59Å; E102-R156 IonicContact OE1-NH1 3.66Å; E102-R156 PolarHBondContact OE1-NH1 3.25Å; E102-R156 IonicContact OE2-CZ 3.82Å; E102-R156 VanDerWaalsContact OE2-CZ 3.28Å; E102-R156 IonicContact OE2-NH1 2.78Å; E102-R156 PolarHBondContact OE2-NH1 3.43Å; E102-R156 IonicContact OE2-NH2 3.49Å; E102-R156 PolarHBondContact OE2-NH2 3.11Å |
| 103 | W | 94.9 | Very high | 93.2 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 8% | 0.076 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.9 | -28.7 | -179.7 | 76.1 | -104 | 0 | 0 | 0 | 113.7 | G99 T100 E106 C107 F128 V142 I145 S146 F258 | G99-W103 PolarHBondContact O-N 2.86Å; T100-W103 HydrophobicContact CG2-CZ2 4.33Å; W103-E106 PolarHBondContact O-N 3.32Å; W103-C107 PolarHBondContact O-N 2.86Å; W103-F128 HydrophobicContact CH2-CD2 4.1Å; W103-F128 AromaticContact CH2-CE2 3.33Å; W103-F128 HydrophobicContact CH2-CE2 3.33Å; W103-F128 HydrophobicContact CH2-CZ 4.09Å; W103-F128 HydrophobicContact CZ2-CE2 4.36Å; W103-F128 AromaticContact CZ3-CE2 3.59Å; W103-F128 HydrophobicContact CZ3-CE2 3.59Å; W103-F128 AromaticContact CZ3-CZ 3.89Å; W103-F128 HydrophobicContact CZ3-CZ 3.89Å; W103-V142 HydrophobicContact CH2-CG1 4.31Å; W103-V142 HydrophobicContact CZ3-CG1 4.24Å; W103-I145 HydrophobicContact CB-CG1 4.49Å; W103-I145 HydrophobicContact CE3-CG2 3.81Å; W103-I145 HydrophobicContact CZ3-CG2 4.05Å; W103-S146 VanDerWaalsContact CH2-CB 3.4Å; W103-F258 HydrophobicContact CB-CE1 3.68Å; W103-F258 HydrophobicContact CB-CZ 3.85Å |
| 104 | I | 94.6 | Very high | 93.5 | Very high | 23 Ų | 23 | 53.8 Ų | 53.8 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -48.3 | 172.4 | -68.4 | 172.9 | 0 | 0 | 0 | 110.2 | T100 E106 C107 Q108 T120 V127 F128 | T100-I104 HydrophobicContact CG2-CD1 3.52Å; T100-I104 HydrophobicContact CG2-CG1 4.21Å; T100-I104 WeakPolarHBondContact O-CB 3.33Å; T100-I104 WeakPolarHBondContact O-CD1 3.43Å; T100-I104 WeakPolarHBondContact O-CG1 3.38Å; T100-I104 PolarHBondContact O-N 3.23Å; I104-E106 VanDerWaalsContact C-N 3.26Å; I104-E106 PolarHBondContact O-N 3.26Å; I104-C107 WeakPolarHBondContact O-CB 3.07Å; I104-C107 PolarHBondContact O-N 3.25Å; I104-Q108 WeakPolarHBondContact O-CG 3.38Å; I104-Q108 PolarHBondContact O-N 3.17Å; I104-T120 HydrophobicContact CG2-CG2 3.7Å; I104-V127 HydrophobicContact CD1-CG1 3.85Å; I104-F128 HydrophobicContact CG1-CE2 4.14Å; I104-F128 HydrophobicContact CG1-CZ 3.95Å; I104-F128 HydrophobicContact CG2-CZ 4.23Å |
| 105 | R | 95.6 | Very high | 93.8 | Very high | 163 Ų | 163 | 51.9 Ų | 51.9 | 62% | 0.615 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -59 | -38.3 | 174.7 | -74.1 | 168.2 | -175.6 | 149.4 | -5.5 | 111.7 | K101 E102 Q108 H109 | K101-R105 WeakPolarHBondContact O-CB 3Å; K101-R105 VanDerWaalsContact O-CD 3.28Å; K101-R105 WeakPolarHBondContact O-CD 3.43Å; K101-R105 WeakPolarHBondContact O-CG 3.26Å; K101-R105 PolarHBondContact O-N 3.44Å; E102-R105 PolarHBondContact O-N 3.06Å; R105-Q108 PolarHBondContact O-N 3.4Å; R105-H109 WeakPolarHBondContact O-CB 3.35Å; R105-H109 PolarHBondContact O-N 3.06Å |
| 106 | E | 98.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.9 | -41 | 176.1 | -174.1 | 56.2 | -157.1 | 0 | 0 | 112.2 | E102 W103 I104 Q108 H109 Q110 I145 F258 R259 | E102-E106 PolarHBondContact O-N 3.49Å; W103-E106 PolarHBondContact O-N 3.32Å; I104-E106 VanDerWaalsContact C-N 3.26Å; I104-E106 PolarHBondContact O-N 3.26Å; E106-Q108 VanDerWaalsContact C-N 3.33Å; E106-Q108 PolarHBondContact O-N 3.09Å; E106-H109 PolarHBondContact O-N 2.96Å; E106-Q110 HydrophobicContact CG-CG 4.39Å; E106-Q110 WeakPolarHBondContact O-CB 3.4Å; E106-Q110 VanDerWaalsContact O-CG 3.25Å; E106-Q110 WeakPolarHBondContact O-CG 3.02Å; E106-Q110 PolarHBondContact O-N 3.09Å; E106-Q110 WeakPolarHBondContact OE1-CG 3.5Å; E106-Q110 PolarHBondContact OE1-NE2 3.32Å; E106-I145 HydrophobicContact CG-CD1 4.23Å; E106-F258 HydrophobicContact CB-CD1 3.77Å; E106-F258 HydrophobicContact CB-CE1 3.81Å; E106-F258 HydrophobicContact CG-CD1 3.77Å; E106-F258 HydrophobicContact CG-CE1 3.89Å; E106-R259 VanDerWaalsContact CD-NE 3.27Å; E106-R259 WeakPolarHBondContact OE1-CD 3.32Å; E106-R259 IonicContact OE1-CZ 3.61Å; E106-R259 IonicContact OE1-NE 2.85Å; E106-R259 PolarHBondContact OE1-NE 2.76Å; E106-R259 IonicContact OE2-CZ 2.91Å; E106-R259 IonicContact OE2-NE 2.79Å; E106-R259 PolarHBondContact OE2-NE 3.03Å; E106-R259 IonicContact OE2-NH2 2.85Å; E106-R259 PolarHBondContact OE2-NH2 3.36Å |
| 107 | C | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 173.5 | -169.2 | 0 | 0 | 0 | 0 | 111.6 | W103 I104 Q110 F111 C118 F141 I145 | W103-C107 PolarHBondContact O-N 2.86Å; I104-C107 WeakPolarHBondContact O-CB 3.07Å; I104-C107 PolarHBondContact O-N 3.25Å; C107-Q110 PolarHBondContact O-N 3.37Å; C107-F111 WeakPolarHBondContact O-CD2 3.49Å; C107-F111 PolarHBondContact O-N 2.95Å; C107-F111 VanDerWaalsContact O-N 3.11Å; C107-C118 HydrophobicContact CB-CB 3.92Å; C107-C118 WeakPolarHBondContact CB-SG 3.46Å; C107-C118 WeakPolarHBondContact SG-CB 3.09Å; C107-C118 CovalentContact SG-SG 2.03Å; C107-C118 PolarHBondContact SG-SG 2.9Å; C107-F141 HydrophobicContact CB-CE1 4.12Å; C107-F141 VanDerWaalsContact SG-CE1 3.58Å; C107-I145 HydrophobicContact CB-CG2 4.22Å |
| 108 | Q | 96.3 | Very high | 94.3 | Very high | 63 Ų | 63 | 51.9 Ų | 51.9 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 174.3 | -71.4 | 168.6 | -5.9 | 0 | 0 | 111.7 | I104 R105 E106 Q110 F111 R112 C118 | I104-Q108 WeakPolarHBondContact O-CG 3.38Å; I104-Q108 PolarHBondContact O-N 3.17Å; R105-Q108 PolarHBondContact O-N 3.4Å; E106-Q108 VanDerWaalsContact C-N 3.33Å; E106-Q108 PolarHBondContact O-N 3.09Å; Q108-Q110 PolarHBondContact O-N 2.97Å; Q108-F111 CarbonylContact O-C 3.58Å; Q108-F111 PolarHBondContact O-N 3.37Å; Q108-R112 WeakPolarHBondContact O-CA 3.1Å; Q108-R112 WeakPolarHBondContact O-CB 2.8Å; Q108-R112 PolarHBondContact O-N 2.75Å; Q108-C118 HydrophobicContact CG-CB 4.34Å; Q108-C118 WeakPolarHBondContact CG-O 3.48Å; Q108-C118 PolarHBondContact NE2-O 3.46Å |
| 109 | H | 97.6 | Very high | 94.2 | Very high | 60 Ų | 60 | 48.4 Ų | 48.4 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 174.9 | -178.1 | 87.1 | 0 | 0 | 0 | 111.7 | R105 E106 F111 R112 R259 | R105-H109 WeakPolarHBondContact O-CB 3.35Å; R105-H109 PolarHBondContact O-N 3.06Å; E106-H109 PolarHBondContact O-N 2.96Å; H109-F111 PolarHBondContact O-N 2.77Å; H109-R112 PolarHBondContact CD2-NH1 3.36Å; H109-R112 VanDerWaalsContact CD2-NH1 3.33Å; H109-R112 PolarHBondContact CE1-NH1 3.39Å; H109-R112 PolarHBondContact NE2-NH1 3.23Å; H109-R112 WeakPolarHBondContact O-CD 3.31Å; H109-R112 WeakPolarHBondContact O-CG 3.32Å; H109-R112 PolarHBondContact O-NH1 3.4Å; H109-R259 VanDerWaalsContact CD2-CZ 3.4Å; H109-R259 PolarHBondContact CD2-NE 2.81Å; H109-R259 PolarHBondContact NE2-NH1 2.75Å |
| 110 | Q | 98.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 50.4 Ų | 50.4 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.1 | -16.6 | -179.4 | -68 | -62.6 | -23.7 | 0 | 0 | 113.5 | E106 C107 Q108 F141 D263 R266 | E106-Q110 HydrophobicContact CG-CG 4.39Å; E106-Q110 WeakPolarHBondContact O-CB 3.4Å; E106-Q110 VanDerWaalsContact O-CG 3.25Å; E106-Q110 WeakPolarHBondContact O-CG 3.02Å; E106-Q110 PolarHBondContact O-N 3.09Å; E106-Q110 WeakPolarHBondContact OE1-CG 3.5Å; E106-Q110 PolarHBondContact OE1-NE2 3.32Å; C107-Q110 PolarHBondContact O-N 3.37Å; Q108-Q110 PolarHBondContact O-N 2.97Å; Q110-F141 HydrophobicContact CB-CZ 4.15Å; Q110-F141 HydrophobicContact CG-CZ 4.31Å; Q110-D263 PolarHBondContact NE2-OD1 3.37Å; Q110-R266 HydrophobicContact CG-CB 4.45Å; Q110-R266 WeakPolarHBondContact O-CD 3.28Å; Q110-R266 PolarHBondContact O-NH1 3.2Å |
| 111 | F | 96.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -122.3 | 2.3 | -178 | -77.4 | -95.6 | 0 | 0 | 0 | 115 | C107 Q108 H109 H113 H114 W116 N117 C118 F141 Y269 | C107-F111 WeakPolarHBondContact O-CD2 3.49Å; C107-F111 PolarHBondContact O-N 2.95Å; C107-F111 VanDerWaalsContact O-N 3.11Å; Q108-F111 CarbonylContact O-C 3.58Å; Q108-F111 PolarHBondContact O-N 3.37Å; H109-F111 PolarHBondContact O-N 2.77Å; F111-H113 PolarHBondContact O-N 2.93Å; F111-H114 HydrophobicContact CD1-CB 3.97Å; F111-H114 PolarHBondContact O-N 3.22Å; F111-W116 HydrophobicContact CB-CE3 4.41Å; F111-W116 HydrophobicContact CB-CZ3 4.43Å; F111-W116 AromaticContact CD1-CE3 3.43Å; F111-W116 HydrophobicContact CD1-CE3 3.43Å; F111-W116 VanDerWaalsContact CD1-CE3 3.43Å; F111-W116 AromaticContact CD1-CZ3 3.61Å; F111-W116 HydrophobicContact CD1-CZ3 3.61Å; F111-W116 AromaticContact CD2-CZ3 3.94Å; F111-W116 HydrophobicContact CD2-CZ3 3.94Å; F111-W116 AromaticContact CE1-CE3 3.71Å; F111-W116 HydrophobicContact CE1-CE3 3.71Å; F111-W116 AromaticContact CE1-CZ3 3.71Å; F111-W116 HydrophobicContact CE1-CZ3 3.71Å; F111-W116 HydrophobicContact CE2-CZ3 4.06Å; F111-W116 AromaticContact CG-CE3 3.89Å; F111-W116 HydrophobicContact CG-CE3 3.89Å; F111-W116 AromaticContact CG-CZ3 3.72Å; F111-W116 HydrophobicContact CG-CZ3 3.72Å; F111-W116 HydrophobicContact CZ-CE3 4.4Å; F111-W116 AromaticContact CZ-CZ3 3.94Å; F111-W116 HydrophobicContact CZ-CZ3 3.94Å; F111-N117 WeakPolarHBondContact O-CA 3.34Å; F111-C118 HydrophobicContact CB-CB 4.21Å; F111-F141 HydrophobicContact CD2-CD1 4.31Å; F111-F141 HydrophobicContact CD2-CE1 4.09Å; F111-F141 AromaticContact CE2-CD1 3.55Å; F111-F141 HydrophobicContact CE2-CD1 3.55Å; F111-F141 HydrophobicContact CE2-CD2 4.17Å; F111-F141 AromaticContact CE2-CE1 3.62Å; F111-F141 HydrophobicContact CE2-CE1 3.62Å; F111-F141 HydrophobicContact CE2-CE2 4.22Å; F111-F141 AromaticContact CE2-CG 3.84Å; F111-F141 HydrophobicContact CE2-CG 3.84Å; F111-F141 AromaticContact CE2-CZ 3.96Å; F111-F141 HydrophobicContact CE2-CZ 3.96Å; F111-F141 HydrophobicContact CZ-CD1 4.27Å; F111-F141 HydrophobicContact CZ-CG 4.23Å; F111-Y269 HydrophobicContact CE1-CD1 4.27Å; F111-Y269 HydrophobicContact CE1-CD2 4.48Å; F111-Y269 AromaticContact CE1-CE1 3.77Å; F111-Y269 HydrophobicContact CE1-CE1 3.77Å; F111-Y269 AromaticContact CE1-CE2 3.95Å; F111-Y269 HydrophobicContact CE1-CE2 3.95Å; F111-Y269 AromaticContact CE1-CZ 3.59Å; F111-Y269 AromaticContact CZ-CD1 3.83Å; F111-Y269 HydrophobicContact CZ-CD1 3.83Å; F111-Y269 AromaticContact CZ-CD2 3.85Å; F111-Y269 HydrophobicContact CZ-CD2 3.85Å; F111-Y269 AromaticContact CZ-CE1 3.8Å; F111-Y269 HydrophobicContact CZ-CE1 3.8Å; F111-Y269 AromaticContact CZ-CE2 3.76Å; F111-Y269 HydrophobicContact CZ-CE2 3.76Å; F111-Y269 AromaticContact CZ-CG 3.87Å; F111-Y269 HydrophobicContact CZ-CG 3.87Å; F111-Y269 AromaticContact CZ-CZ 3.76Å |
| 112 | R | 95.4 | Very high | 91.6 | Very high | 119 Ų | 119 | 53.1 Ų | 53.1 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -35.4 | -179.8 | 69.4 | -168.7 | -173.5 | -102.7 | 9.5 | 114.9 | Q108 H109 R323 | Q108-R112 WeakPolarHBondContact O-CA 3.1Å; Q108-R112 WeakPolarHBondContact O-CB 2.8Å; Q108-R112 PolarHBondContact O-N 2.75Å; H109-R112 PolarHBondContact CD2-NH1 3.36Å; H109-R112 VanDerWaalsContact CD2-NH1 3.33Å; H109-R112 PolarHBondContact CE1-NH1 3.39Å; H109-R112 PolarHBondContact NE2-NH1 3.23Å; H109-R112 WeakPolarHBondContact O-CD 3.31Å; H109-R112 WeakPolarHBondContact O-CG 3.32Å; H109-R112 PolarHBondContact O-NH1 3.4Å; R112-R323 PolarHBondContact O-NH2 3.46Å |
| 113 | H | 94.1 | Very high | 90 | Very high | 83 Ų | 83 | 62.6 Ų | 62.6 | 38% | 0.384 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 8.8 | -179.6 | -61.3 | -50.9 | 0 | 0 | 0 | 114.2 | F111 T332 D333 | F111-H113 PolarHBondContact O-N 2.93Å; H113-T332 CarbonylContact O-C 3.51Å; H113-T332 VanDerWaalsContact O-CB 3.26Å; H113-T332 WeakPolarHBondContact O-CB 3.2Å; H113-T332 VanDerWaalsContact O-O 3.04Å; H113-T332 PolarHBondContact O-OG1 3.42Å; H113-T332 VanDerWaalsContact O-OG1 3.11Å; H113-D333 HydrophobicContact CB-CB 3.95Å; H113-D333 PolarHBondContact O-N 3.34Å |
| 114 | H | 95.2 | Very high | 88.3 | Confident | 51 Ų | 51 | 63.8 Ų | 63.8 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -105.7 | 154.3 | 176.4 | -83.4 | -96.3 | 0 | 0 | 0 | 112.2 | F111 W116 R266 R323 | F111-H114 HydrophobicContact CD1-CB 3.97Å; F111-H114 PolarHBondContact O-N 3.22Å; H114-W116 VanDerWaalsContact C-N 3.33Å; H114-W116 CarbonylContact C-O 3.5Å; H114-W116 WeakPolarHBondContact CB-O 3.42Å; H114-W116 CarbonylContact O-C 3.53Å; H114-W116 PolarHBondContact O-N 3.34Å; H114-R266 PolarHBondContact CD2-NH1 2.98Å; H114-R266 PolarHBondContact CE1-NH2 2.85Å; H114-R266 PolarHBondContact NE2-NH1 2.92Å; H114-R266 VanDerWaalsContact NE2-NH1 3.14Å; H114-R266 PolarHBondContact NE2-NH2 3.24Å; H114-R323 VanDerWaalsContact O-CZ 3.27Å; H114-R323 PolarHBondContact O-NH1 3.01Å; H114-R323 PolarHBondContact O-NH2 3.27Å |
| 115 | R | 95.2 | Very high | 86.7 | Confident | 88 Ų | 88 | 68.5 Ų | 68.5 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -56.5 | -43.4 | -179.6 | -61.9 | -177.2 | -177.5 | 163.6 | -0.3 | 112.4 | C309 T320 R323 V337 M338 C340 | R115-C309 PolarHBondContact NH1-SG 3.05Å; R115-T320 HydrophobicContact CB-CG2 3.88Å; R115-T320 HydrophobicContact CG-CG2 4.01Å; R115-R323 PolarHBondContact O-NH1 3.09Å; R115-V337 VanDerWaalsContact CZ-O 3.28Å; R115-V337 PolarHBondContact NE-O 3.35Å; R115-V337 PolarHBondContact NH2-O 2.91Å; R115-M338 HydrophobicContact CG-CE 4.21Å; R115-C340 PolarHBondContact NE-SG 3.15Å |
| 116 | W | 94 | Very high | 85 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 6% | 0.057 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -86.4 | 123.7 | 157 | -179.1 | 78.1 | 0 | 0 | 0 | 108.9 | F111 H114 C118 V131 E138 V142 Y308 | F111-W116 HydrophobicContact CB-CE3 4.41Å; F111-W116 HydrophobicContact CB-CZ3 4.43Å; F111-W116 AromaticContact CD1-CE3 3.43Å; F111-W116 HydrophobicContact CD1-CE3 3.43Å; F111-W116 VanDerWaalsContact CD1-CE3 3.43Å; F111-W116 AromaticContact CD1-CZ3 3.61Å; F111-W116 HydrophobicContact CD1-CZ3 3.61Å; F111-W116 AromaticContact CD2-CZ3 3.94Å; F111-W116 HydrophobicContact CD2-CZ3 3.94Å; F111-W116 AromaticContact CE1-CE3 3.71Å; F111-W116 HydrophobicContact CE1-CE3 3.71Å; F111-W116 AromaticContact CE1-CZ3 3.71Å; F111-W116 HydrophobicContact CE1-CZ3 3.71Å; F111-W116 HydrophobicContact CE2-CZ3 4.06Å; F111-W116 AromaticContact CG-CE3 3.89Å; F111-W116 HydrophobicContact CG-CE3 3.89Å; F111-W116 AromaticContact CG-CZ3 3.72Å; F111-W116 HydrophobicContact CG-CZ3 3.72Å; F111-W116 HydrophobicContact CZ-CE3 4.4Å; F111-W116 AromaticContact CZ-CZ3 3.94Å; F111-W116 HydrophobicContact CZ-CZ3 3.94Å; H114-W116 VanDerWaalsContact C-N 3.33Å; H114-W116 CarbonylContact C-O 3.5Å; H114-W116 WeakPolarHBondContact CB-O 3.42Å; H114-W116 CarbonylContact O-C 3.53Å; H114-W116 PolarHBondContact O-N 3.34Å; W116-C118 HydrophobicContact CH2-CB 3.58Å; W116-C118 WeakPolarHBondContact CH2-SG 3.13Å; W116-C118 HydrophobicContact CZ2-CB 3.88Å; W116-C118 HydrophobicContact CZ3-CB 3.94Å; W116-V131 HydrophobicContact CZ2-CG1 4.23Å; W116-E138 HydrophobicContact CD2-CB 4.08Å; W116-E138 HydrophobicContact CD2-CG 3.99Å; W116-E138 HydrophobicContact CE3-CB 3.89Å; W116-E138 HydrophobicContact CE3-CG 3.75Å; W116-E138 HydrophobicContact CG-CG 4.37Å; W116-E138 HydrophobicContact CH2-CB 4.22Å; W116-E138 HydrophobicContact CZ2-CB 4.38Å; W116-E138 HydrophobicContact CZ3-CB 3.98Å; W116-E138 HydrophobicContact CZ3-CG 4.26Å; W116-V142 HydrophobicContact CH2-CG2 3.61Å; W116-V142 HydrophobicContact CZ2-CG2 3.95Å; W116-Y308 HydrophobicContact CB-CD1 3.8Å; W116-Y308 HydrophobicContact CB-CD2 3.81Å; W116-Y308 HydrophobicContact CB-CE1 3.83Å; W116-Y308 HydrophobicContact CB-CE2 3.82Å; W116-Y308 HydrophobicContact CB-CG 3.79Å; W116-Y308 AromaticContact CD1-CE1 3.61Å; W116-Y308 AromaticContact CD1-CZ 3.99Å; W116-Y308 HydrophobicContact CG-CD1 4.32Å; W116-Y308 AromaticContact CG-CE1 3.93Å; W116-Y308 HydrophobicContact CG-CE1 3.93Å; W116-Y308 HydrophobicContact CG-CE2 4.4Å; W116-Y308 AromaticContact CG-CZ 3.97Å |
| 117 | N | 93.5 | Very high | 83.5 | Confident | 50 Ų | 50 | 65 Ų | 65 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | trans | -111.2 | 14.9 | -172.5 | 66.5 | -18.6 | 0 | 0 | 0 | 114.7 | F111 S119 | F111-N117 WeakPolarHBondContact O-CA 3.34Å; N117-S119 PolarHBondContact O-N 3.04Å; N117-S119 VanDerWaalsContact OD1-CB 3.3Å; N117-S119 WeakPolarHBondContact OD1-CB 3.07Å; N117-S119 PolarHBondContact OD1-N 3.28Å; N117-S119 PolarHBondContact OD1-OG 3.34Å | ||
| 118 | C | 92.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | 54.3 | 34.4 | -172.9 | -155.6 | 0 | 0 | 0 | 0 | 114.1 | C107 Q108 F111 W116 F128 | C107-C118 HydrophobicContact CB-CB 3.92Å; C107-C118 WeakPolarHBondContact CB-SG 3.46Å; C107-C118 WeakPolarHBondContact SG-CB 3.09Å; C107-C118 CovalentContact SG-SG 2.03Å; C107-C118 PolarHBondContact SG-SG 2.9Å; Q108-C118 HydrophobicContact CG-CB 4.34Å; Q108-C118 WeakPolarHBondContact CG-O 3.48Å; Q108-C118 PolarHBondContact NE2-O 3.46Å; F111-C118 HydrophobicContact CB-CB 4.21Å; W116-C118 HydrophobicContact CH2-CB 3.58Å; W116-C118 WeakPolarHBondContact CH2-SG 3.13Å; W116-C118 HydrophobicContact CZ2-CB 3.88Å; W116-C118 HydrophobicContact CZ3-CB 3.94Å; C118-F128 WeakPolarHBondContact SG-CE1 3.29Å | ||
| 119 | S | 87.1 | Confident | 80.2 | Confident | 30 Ų | 30 | 62.4 Ų | 62.4 | 21% | 0.21 | 29% | 0.294 | C | S | . | . | trans | -61 | 140.4 | 169 | 35.6 | 0 | 0 | 0 | 0 | 111.5 | N117 L318 | N117-S119 PolarHBondContact O-N 3.04Å; N117-S119 VanDerWaalsContact OD1-CB 3.3Å; N117-S119 WeakPolarHBondContact OD1-CB 3.07Å; N117-S119 PolarHBondContact OD1-N 3.28Å; N117-S119 PolarHBondContact OD1-OG 3.34Å; S119-L318 WeakPolarHBondContact OG-CD1 3.18Å | ||
| 120 | T | 81.5 | Confident | 78.8 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 28% | 0.276 | 30% | 0.304 | S | S | . | . | trans | -85.4 | 159 | 172.3 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | I104 V127 F128 | I104-T120 HydrophobicContact CG2-CG2 3.7Å; T120-V127 WeakPolarHBondContact CA-O 3.33Å; T120-V127 HydrophobicContact CG2-CG1 3.57Å; T120-F128 HydrophobicContact CG2-CE1 4.01Å; T120-F128 HydrophobicContact CG2-CZ 3.96Å | ||
| 121 | L | 74.5 | Confident | 77.6 | Confident | 58 Ų | 58 | 65 Ų | 65 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | trans | -116 | 108.8 | 177.5 | -59.4 | 178.6 | 0 | 0 | 0 | 110.3 | R123 D124 V127 L318 | L121-R123 PolarHBondContact O-N 3.31Å; L121-D124 HydrophobicContact CB-CB 3.96Å; L121-D124 PolarHBondContact O-N 2.87Å; L121-V127 PolarHBondContact N-O 2.98Å; L121-L318 HydrophobicContact CD2-CD1 4.37Å; L121-L318 HydrophobicContact CD2-CD2 4Å | ||
| 122 | D | 57.4 | Low | 76.8 | Confident | 162 Ų | 162 | 66.4 Ų | 66.4 | 87% | 0.866 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -5.3 | -170.4 | -51.4 | -37.5 | 0 | 0 | 0 | 115.6 | ||
| 123 | R | 58.7 | Low | 76.2 | Confident | 255 Ų | 255 | 66 Ų | 66 | 96% | 0.962 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | 7.6 | 177.7 | -60.8 | -172.7 | -178.7 | -168.1 | -0 | 113.6 | L121 | L121-R123 PolarHBondContact O-N 3.31Š|
| 124 | D | 59.9 | Low | 75.8 | Confident | 44 Ų | 44 | 65.9 Ų | 65.9 | 24% | 0.235 | 31% | 0.311 | C | S | . | . | trans | -108.7 | 121 | 179.6 | -159.4 | -58.7 | 0 | 0 | 0 | 112.2 | L121 T126 V127 G129 | L121-D124 HydrophobicContact CB-CB 3.96Å; L121-D124 PolarHBondContact O-N 2.87Å; D124-T126 PolarHBondContact O-N 2.99Å; D124-T126 WeakPolarHBondContact OD1-CB 3.05Å; D124-T126 PolarHBondContact OD1-N 3.35Å; D124-T126 PolarHBondContact OD1-OG1 2.96Å; D124-V127 PolarHBondContact O-N 3.26Å; D124-G129 WeakPolarHBondContact OD2-CA 3.09Å | ||
| 125 | H | 60.9 | Low | 75.7 | Confident | 123 Ų | 123 | 63.7 Ų | 63.7 | 57% | 0.569 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -9.7 | 179 | 65.8 | -79.1 | 0 | 0 | 0 | 114.9 | P76 | P76-H125 HydrophobicContact CB-CB 3.96Å; P76-H125 HydrophobicContact CG-CB 4.06Å |
| 126 | T | 60.9 | Low | 75.7 | Confident | 39 Ų | 39 | 59.5 Ų | 59.5 | 24% | 0.239 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 4.9 | 174.4 | 65.1 | 0 | 0 | 0 | 0 | 113.6 | D124 F128 G129 | D124-T126 PolarHBondContact O-N 2.99Å; D124-T126 WeakPolarHBondContact OD1-CB 3.05Å; D124-T126 PolarHBondContact OD1-N 3.35Å; D124-T126 PolarHBondContact OD1-OG1 2.96Å; T126-F128 PolarHBondContact O-N 3.48Å; T126-G129 WeakPolarHBondContact OG1-CA 3.4Å; T126-G129 PolarHBondContact OG1-N 3.23Å |
| 127 | V | 65.8 | Low | 75.8 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 35% | 0.345 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 67.4 | -40.5 | -179.3 | -175.3 | 0 | 0 | 0 | 0 | 114.6 | I104 T120 L121 D124 | I104-V127 HydrophobicContact CD1-CG1 3.85Å; T120-V127 WeakPolarHBondContact CA-O 3.33Å; T120-V127 HydrophobicContact CG2-CG1 3.57Å; L121-V127 PolarHBondContact N-O 2.98Å; D124-V127 PolarHBondContact O-N 3.26Å |
| 128 | F | 60.2 | Low | 75.9 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -109.2 | -4.7 | 178.9 | -65.9 | -79.4 | 0 | 0 | 0 | 113.8 | W103 I104 C118 T120 T126 L132 V142 | W103-F128 HydrophobicContact CH2-CD2 4.1Å; W103-F128 AromaticContact CH2-CE2 3.33Å; W103-F128 HydrophobicContact CH2-CE2 3.33Å; W103-F128 HydrophobicContact CH2-CZ 4.09Å; W103-F128 HydrophobicContact CZ2-CE2 4.36Å; W103-F128 AromaticContact CZ3-CE2 3.59Å; W103-F128 HydrophobicContact CZ3-CE2 3.59Å; W103-F128 AromaticContact CZ3-CZ 3.89Å; W103-F128 HydrophobicContact CZ3-CZ 3.89Å; I104-F128 HydrophobicContact CG1-CE2 4.14Å; I104-F128 HydrophobicContact CG1-CZ 3.95Å; I104-F128 HydrophobicContact CG2-CZ 4.23Å; C118-F128 WeakPolarHBondContact SG-CE1 3.29Å; T120-F128 HydrophobicContact CG2-CE1 4.01Å; T120-F128 HydrophobicContact CG2-CZ 3.96Å; T126-F128 PolarHBondContact O-N 3.48Å; F128-L132 HydrophobicContact CB-CD1 4.13Å; F128-L132 HydrophobicContact CB-CG 4.18Å; F128-V142 HydrophobicContact CD2-CG1 3.95Å; F128-V142 HydrophobicContact CE2-CG1 4.37Å; F128-V142 HydrophobicContact CG-CG1 4.2Å |
| 129 | G | 65.1 | Low | 76 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | 56.5 | -138.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D124 T126 V131 L132 | D124-G129 WeakPolarHBondContact OD2-CA 3.09Å; T126-G129 WeakPolarHBondContact OG1-CA 3.4Å; T126-G129 PolarHBondContact OG1-N 3.23Å; G129-V131 PolarHBondContact O-N 3.08Å; G129-L132 PolarHBondContact O-N 3.33Å |
| 130 | R | 67.6 | Low | 76.5 | Confident | 129 Ų | 129 | 59.2 Ų | 59.2 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -62.9 | -14.9 | -170 | -63.6 | -177.6 | 170.4 | -170.5 | -7.6 | 114.7 | L132 L133 K313 | R130-L132 PolarHBondContact O-N 3.25Å; R130-L133 HydrophobicContact CB-CD1 4.36Å; R130-L133 HydrophobicContact CG-CD1 4.04Å; R130-L133 WeakPolarHBondContact O-CB 3.45Å; R130-L133 PolarHBondContact O-N 2.78Å; R130-K313 WeakPolarHBondContact CD-O 3.5Å; R130-K313 PolarHBondContact NH1-O 3.11Å |
| 131 | V | 73.4 | Confident | 77.2 | Confident | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -58.2 | -37 | 170.9 | -177.9 | 0 | 0 | 0 | 0 | 111 | W116 G129 L133 R134 E138 | W116-V131 HydrophobicContact CZ2-CG1 4.23Å; G129-V131 PolarHBondContact O-N 3.08Å; V131-L133 PolarHBondContact O-N 3.32Å; V131-R134 PolarHBondContact O-N 3.18Å; V131-E138 HydrophobicContact CG1-CB 4.22Å |
| 132 | L | 79.9 | Confident | 78.3 | Confident | 31 Ų | 31 | 54.5 Ų | 54.5 | 16% | 0.162 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -76.5 | -6.8 | 176.5 | -62.7 | 176.4 | 0 | 0 | 0 | 113.9 | F128 G129 R130 A139 V142 Y143 | F128-L132 HydrophobicContact CB-CD1 4.13Å; F128-L132 HydrophobicContact CB-CG 4.18Å; G129-L132 PolarHBondContact O-N 3.33Å; R130-L132 PolarHBondContact O-N 3.25Å; L132-A139 HydrophobicContact CD2-CB 4.47Å; L132-V142 HydrophobicContact CD2-CB 4.01Å; L132-V142 HydrophobicContact CD2-CG1 3.81Å; L132-Y143 HydrophobicContact CD2-CD2 4.23Å; L132-Y143 HydrophobicContact CD2-CE2 3.84Å |
| 133 | L | 81.8 | Confident | 80.2 | Confident | 112 Ų | 112 | 48.2 Ų | 48.2 | 59% | 0.586 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -91.4 | -4.4 | 174.8 | -57.2 | -178.7 | 0 | 0 | 0 | 113.1 | R130 V131 R214 | R130-L133 HydrophobicContact CB-CD1 4.36Å; R130-L133 HydrophobicContact CG-CD1 4.04Å; R130-L133 WeakPolarHBondContact O-CB 3.45Å; R130-L133 PolarHBondContact O-N 2.78Å; V131-L133 PolarHBondContact O-N 3.32Å; L133-R214 PolarHBondContact O-NH1 2.88Å; L133-R214 PolarHBondContact O-NH2 3.36Å |
| 134 | R | 86.2 | Confident | 82 | Confident | 79 Ų | 79 | 36.1 Ų | 36.1 | 30% | 0.298 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -111.4 | 137.8 | 170.9 | 173.9 | 168.7 | -71.8 | -160.8 | 9.4 | 109.5 | V131 S136 A139 E303 N304 | V131-R134 PolarHBondContact O-N 3.18Å; R134-S136 PolarHBondContact O-N 2.94Å; R134-A139 VanDerWaalsContact O-CB 3.25Å; R134-A139 WeakPolarHBondContact O-CB 3.17Å; R134-E303 HydrophobicContact CG-CB 3.82Å; R134-E303 WeakPolarHBondContact CG-OE2 3.26Å; R134-E303 IonicContact NE-OE2 3.59Å; R134-N304 PolarHBondContact NH1-O 2.03Å |
| 135 | S | 92.5 | Very high | 83.9 | Confident | 5 Ų | 5 | 34 Ų | 34 | 4% | 0.035 | 16% | 0.157 | C | C | . | . | trans | -81.3 | 47.7 | 179.3 | -44.1 | 0 | 0 | 0 | 0 | 113 | R214 Y301 F302 E303 | S135-R214 PolarHBondContact OG-NE 2.99Å; S135-R214 PolarHBondContact OG-NH2 3.49Å; S135-Y301 WeakPolarHBondContact O-CB 3.49Å; S135-F302 PolarHBondContact O-N 3.27Å; S135-E303 WeakPolarHBondContact CB-OE1 3.34Å; S135-E303 PolarHBondContact N-OE1 3.38Å; S135-E303 PolarHBondContact O-N 3.32Å; S135-E303 PolarHBondContact OG-OE1 3.39Å | ||
| 136 | S | 95.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -94.2 | 174.1 | -175.4 | 73 | 0 | 0 | 0 | 0 | 114.3 | R134 E138 A139 A140 E303 | R134-S136 PolarHBondContact O-N 2.94Å; S136-E138 WeakPolarHBondContact CB-OE2 3.33Å; S136-E138 PolarHBondContact O-N 2.73Å; S136-E138 PolarHBondContact OG-OE2 3.24Å; S136-A139 PolarHBondContact O-N 2.79Å; S136-A140 WeakPolarHBondContact O-CB 3.4Å; S136-A140 PolarHBondContact O-N 3.11Å; S136-E303 VanDerWaalsContact CA-O 3.23Å; S136-E303 WeakPolarHBondContact CA-O 3.37Å; S136-E303 WeakPolarHBondContact CB-O 3.07Å |
| 137 | R | 96.3 | Very high | 87.3 | Confident | 84 Ų | 84 | 27.1 Ų | 27.1 | 32% | 0.317 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -57.8 | -37.5 | 177 | -67 | 179.7 | -65.9 | -159.8 | -4.4 | 112.4 | A140 F141 Y269 A272 Y301 S305 | R137-A140 WeakPolarHBondContact O-CB 3.44Å; R137-A140 PolarHBondContact O-N 2.78Å; R137-F141 PolarHBondContact O-N 3.41Å; R137-Y269 VanDerWaalsContact C-CE2 3.49Å; R137-Y269 HydrophobicContact CB-CD2 3.94Å; R137-Y269 HydrophobicContact CB-CE2 3.5Å; R137-Y269 VanDerWaalsContact O-CD2 3.27Å; R137-Y269 WeakPolarHBondContact O-CD2 3.33Å; R137-Y269 WeakPolarHBondContact O-CE2 3.48Å; R137-A272 HydrophobicContact CG-CB 4.25Å; R137-Y301 HydrophobicContact CG-CD1 3.33Å; R137-Y301 HydrophobicContact CG-CD2 4.01Å; R137-Y301 HydrophobicContact CG-CE1 3.42Å; R137-Y301 VanDerWaalsContact CG-CE1 3.42Å; R137-Y301 HydrophobicContact CG-CE2 4.11Å; R137-Y301 HydrophobicContact CG-CG 3.63Å; R137-S305 PolarHBondContact NE-OG 3.16Å; R137-S305 PolarHBondContact NH2-OG 3.49Å; R137-S305 VanDerWaalsContact NH2-OG 3.13Å |
| 138 | E | 95.5 | Very high | 88.8 | Confident | 5 Ų | 5 | 24.4 Ų | 24.4 | 2% | 0.023 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.2 | -48 | -179.5 | -58.4 | 75.2 | -163.7 | 0 | 0 | 109.8 | W116 V131 S136 A140 F141 V142 Y269 S305 Y308 | W116-E138 HydrophobicContact CD2-CB 4.08Å; W116-E138 HydrophobicContact CD2-CG 3.99Å; W116-E138 HydrophobicContact CE3-CB 3.89Å; W116-E138 HydrophobicContact CE3-CG 3.75Å; W116-E138 HydrophobicContact CG-CG 4.37Å; W116-E138 HydrophobicContact CH2-CB 4.22Å; W116-E138 HydrophobicContact CZ2-CB 4.38Å; W116-E138 HydrophobicContact CZ3-CB 3.98Å; W116-E138 HydrophobicContact CZ3-CG 4.26Å; V131-E138 HydrophobicContact CG1-CB 4.22Å; S136-E138 WeakPolarHBondContact CB-OE2 3.33Å; S136-E138 PolarHBondContact O-N 2.73Å; S136-E138 PolarHBondContact OG-OE2 3.24Å; E138-A140 PolarHBondContact O-N 3.11Å; E138-F141 PolarHBondContact O-N 3.48Å; E138-V142 WeakPolarHBondContact O-CG2 3.44Å; E138-V142 PolarHBondContact O-N 2.91Å; E138-Y269 HydrophobicContact CG-CE2 4.25Å; E138-Y269 PolarHBondContact OE1-OH 3.24Å; E138-S305 VanDerWaalsContact CD-OG 3.32Å; E138-S305 VanDerWaalsContact OE1-CB 3.25Å; E138-S305 WeakPolarHBondContact OE1-CB 3.11Å; E138-S305 PolarHBondContact OE1-OG 2.86Å; E138-S305 PolarHBondContact OE2-OG 3.26Å; E138-Y308 HydrophobicContact CG-CE2 3.98Å |
| 139 | A | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.6 | -45.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L132 R134 S136 F141 V142 Y143 | L132-A139 HydrophobicContact CD2-CB 4.47Å; R134-A139 VanDerWaalsContact O-CB 3.25Å; R134-A139 WeakPolarHBondContact O-CB 3.17Å; S136-A139 PolarHBondContact O-N 2.79Å; A139-F141 VanDerWaalsContact C-N 3.27Å; A139-F141 PolarHBondContact O-N 3.06Å; A139-V142 PolarHBondContact O-N 2.93Å; A139-Y143 VanDerWaalsContact O-CD2 3.22Å; A139-Y143 WeakPolarHBondContact O-CD2 3.43Å; A139-Y143 PolarHBondContact O-N 3.14Å |
| 140 | A | 97.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.5 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | S136 R137 E138 A144 N221 L299 V300 | S136-A140 WeakPolarHBondContact O-CB 3.4Å; S136-A140 PolarHBondContact O-N 3.11Å; R137-A140 WeakPolarHBondContact O-CB 3.44Å; R137-A140 PolarHBondContact O-N 2.78Å; E138-A140 PolarHBondContact O-N 3.11Å; A140-A144 PolarHBondContact O-N 2.83Å; A140-N221 WeakPolarHBondContact CA-ND2 3.26Å; A140-N221 WeakPolarHBondContact CB-ND2 3.48Å; A140-L299 HydrophobicContact CB-CB 4.43Å; A140-V300 WeakPolarHBondContact CB-O 3.43Å |
| 141 | F | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -69.1 | -44.7 | 171.7 | -179.2 | -90.3 | 0 | 0 | 0 | 112.1 | C107 Q110 F111 R137 E138 A139 Y143 A144 I145 L265 Y269 L299 | C107-F141 HydrophobicContact CB-CE1 4.12Å; C107-F141 VanDerWaalsContact SG-CE1 3.58Å; Q110-F141 HydrophobicContact CB-CZ 4.15Å; Q110-F141 HydrophobicContact CG-CZ 4.31Å; F111-F141 HydrophobicContact CD2-CD1 4.31Å; F111-F141 HydrophobicContact CD2-CE1 4.09Å; F111-F141 AromaticContact CE2-CD1 3.55Å; F111-F141 HydrophobicContact CE2-CD1 3.55Å; F111-F141 HydrophobicContact CE2-CD2 4.17Å; F111-F141 AromaticContact CE2-CE1 3.62Å; F111-F141 HydrophobicContact CE2-CE1 3.62Å; F111-F141 HydrophobicContact CE2-CE2 4.22Å; F111-F141 AromaticContact CE2-CG 3.84Å; F111-F141 HydrophobicContact CE2-CG 3.84Å; F111-F141 AromaticContact CE2-CZ 3.96Å; F111-F141 HydrophobicContact CE2-CZ 3.96Å; F111-F141 HydrophobicContact CZ-CD1 4.27Å; F111-F141 HydrophobicContact CZ-CG 4.23Å; R137-F141 PolarHBondContact O-N 3.41Å; E138-F141 PolarHBondContact O-N 3.48Å; A139-F141 VanDerWaalsContact C-N 3.27Å; A139-F141 PolarHBondContact O-N 3.06Å; F141-Y143 PolarHBondContact O-N 2.82Å; F141-A144 PolarHBondContact O-N 2.84Å; F141-A144 VanDerWaalsContact O-N 3.11Å; F141-I145 HydrophobicContact CD1-CB 4.34Å; F141-I145 HydrophobicContact CD1-CG2 3.97Å; F141-I145 HydrophobicContact CE1-CB 3.86Å; F141-I145 HydrophobicContact CE1-CG1 4.18Å; F141-I145 HydrophobicContact CE1-CG2 3.71Å; F141-I145 HydrophobicContact CZ-CB 4.05Å; F141-I145 HydrophobicContact CZ-CD1 4.31Å; F141-I145 HydrophobicContact CZ-CG1 4.14Å; F141-I145 HydrophobicContact CZ-CG2 4.4Å; F141-I145 WeakPolarHBondContact O-CG2 3.06Å; F141-I145 PolarHBondContact O-N 2.92Å; F141-L265 HydrophobicContact CD2-CB 4.1Å; F141-L265 HydrophobicContact CE2-CB 3.63Å; F141-Y269 HydrophobicContact CB-CD2 3.85Å; F141-Y269 HydrophobicContact CB-CG 4.45Å; F141-L299 HydrophobicContact CB-CD1 4.36Å; F141-L299 HydrophobicContact CD2-CD1 4.48Å |
| 142 | V | 96.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.024 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 179.1 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | W103 W116 F128 L132 E138 A139 A144 S146 | W103-V142 HydrophobicContact CH2-CG1 4.31Å; W103-V142 HydrophobicContact CZ3-CG1 4.24Å; W116-V142 HydrophobicContact CH2-CG2 3.61Å; W116-V142 HydrophobicContact CZ2-CG2 3.95Å; F128-V142 HydrophobicContact CD2-CG1 3.95Å; F128-V142 HydrophobicContact CE2-CG1 4.37Å; F128-V142 HydrophobicContact CG-CG1 4.2Å; L132-V142 HydrophobicContact CD2-CB 4.01Å; L132-V142 HydrophobicContact CD2-CG1 3.81Å; E138-V142 WeakPolarHBondContact O-CG2 3.44Å; E138-V142 PolarHBondContact O-N 2.91Å; A139-V142 PolarHBondContact O-N 2.93Å; V142-A144 VanDerWaalsContact C-N 3.33Å; V142-A144 PolarHBondContact O-N 2.88Å; V142-S146 WeakPolarHBondContact O-CB 3.39Å; V142-S146 PolarHBondContact O-N 3Å; V142-S146 PolarHBondContact O-OG 3.24Å |
| 143 | Y | 96.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 17.7 Ų | 17.7 | 12% | 0.122 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.3 | -41.8 | 173.7 | -81.8 | -71.7 | 0 | 0 | 0 | 112.2 | L132 A139 F141 S146 S147 N218 N222 | L132-Y143 HydrophobicContact CD2-CD2 4.23Å; L132-Y143 HydrophobicContact CD2-CE2 3.84Å; A139-Y143 VanDerWaalsContact O-CD2 3.22Å; A139-Y143 WeakPolarHBondContact O-CD2 3.43Å; A139-Y143 PolarHBondContact O-N 3.14Å; F141-Y143 PolarHBondContact O-N 2.82Å; Y143-S146 PolarHBondContact O-OG 2.83Å; Y143-S147 WeakPolarHBondContact O-CB 3.42Å; Y143-S147 PolarHBondContact O-N 2.64Å; Y143-N218 HydrophobicContact CD1-CB 4.12Å; Y143-N218 WeakPolarHBondContact CD2-OD1 3.4Å; Y143-N218 HydrophobicContact CE1-CB 3.95Å; Y143-N218 WeakPolarHBondContact CE2-OD1 3.38Å; Y143-N218 HydrophobicContact CG-CB 4.48Å; Y143-N218 VanDerWaalsContact CZ-ND2 3.34Å; Y143-N218 VanDerWaalsContact CZ-OD1 3.29Å; Y143-N218 PolarHBondContact OH-ND2 2.98Å; Y143-N218 VanDerWaalsContact OH-ND2 3.09Å; Y143-N222 WeakPolarHBondContact CB-OD1 3.43Å; Y143-N222 WeakPolarHBondContact CD1-OD1 3.28Å; Y143-N222 PolarHBondContact O-OD1 3.02Å |
| 144 | A | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -69.7 | -50.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A140 F141 V142 S146 S147 A148 N221 G225 L265 L299 | A140-A144 PolarHBondContact O-N 2.83Å; F141-A144 PolarHBondContact O-N 2.84Å; F141-A144 VanDerWaalsContact O-N 3.11Å; V142-A144 VanDerWaalsContact C-N 3.33Å; V142-A144 PolarHBondContact O-N 2.88Å; A144-S146 VanDerWaalsContact C-N 3.34Å; A144-S146 PolarHBondContact O-N 2.87Å; A144-S147 PolarHBondContact O-N 3.33Å; A144-A148 VanDerWaalsContact O-CB 3.28Å; A144-A148 WeakPolarHBondContact O-CB 3.37Å; A144-A148 PolarHBondContact O-N 3.48Å; A144-N221 WeakPolarHBondContact CA-O 3.24Å; A144-N221 WeakPolarHBondContact CB-O 3.25Å; A144-G225 WeakPolarHBondContact O-CA 3.28Å; A144-L265 HydrophobicContact CB-CD1 4.14Å; A144-L265 HydrophobicContact CB-CD2 4.02Å; A144-L299 HydrophobicContact CB-CD1 4.46Å; A144-L299 HydrophobicContact CB-CD2 3.6Å |
| 145 | I | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -69 | -32.2 | -176.2 | -164.2 | 66.2 | 0 | 0 | 0 | 111.9 | W103 E106 C107 F141 G149 F258 L265 | W103-I145 HydrophobicContact CB-CG1 4.49Å; W103-I145 HydrophobicContact CE3-CG2 3.81Å; W103-I145 HydrophobicContact CZ3-CG2 4.05Å; E106-I145 HydrophobicContact CG-CD1 4.23Å; C107-I145 HydrophobicContact CB-CG2 4.22Å; F141-I145 HydrophobicContact CD1-CB 4.34Å; F141-I145 HydrophobicContact CD1-CG2 3.97Å; F141-I145 HydrophobicContact CE1-CB 3.86Å; F141-I145 HydrophobicContact CE1-CG1 4.18Å; F141-I145 HydrophobicContact CE1-CG2 3.71Å; F141-I145 HydrophobicContact CZ-CB 4.05Å; F141-I145 HydrophobicContact CZ-CD1 4.31Å; F141-I145 HydrophobicContact CZ-CG1 4.14Å; F141-I145 HydrophobicContact CZ-CG2 4.4Å; F141-I145 WeakPolarHBondContact O-CG2 3.06Å; F141-I145 PolarHBondContact O-N 2.92Å; I145-G149 PolarHBondContact O-N 3.05Å; I145-F258 HydrophobicContact CD1-CE1 3.61Å; I145-F258 HydrophobicContact CD1-CZ 3.68Å; I145-F258 HydrophobicContact CG1-CE1 4.15Å; I145-F258 HydrophobicContact CG1-CZ 4.27Å; I145-L265 HydrophobicContact CB-CD1 4.3Å; I145-L265 HydrophobicContact CD1-CD1 3.85Å |
| 146 | S | 96.4 | Very high | 97.1 | Very high | 18 Ų | 18 | 12 Ų | 12 | 13% | 0.126 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -69.6 | -46.7 | 174.5 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | W103 V142 Y143 A144 A148 G149 V150 | W103-S146 VanDerWaalsContact CH2-CB 3.4Å; V142-S146 WeakPolarHBondContact O-CB 3.39Å; V142-S146 PolarHBondContact O-N 3Å; V142-S146 PolarHBondContact O-OG 3.24Å; Y143-S146 PolarHBondContact O-OG 2.83Å; A144-S146 VanDerWaalsContact C-N 3.34Å; A144-S146 PolarHBondContact O-N 2.87Å; S146-A148 VanDerWaalsContact C-N 3.27Å; S146-A148 PolarHBondContact O-N 3.03Å; S146-G149 PolarHBondContact O-N 2.9Å; S146-G149 VanDerWaalsContact O-N 3.16Å; S146-V150 WeakPolarHBondContact O-CG2 3.21Å; S146-V150 PolarHBondContact O-N 2.77Å |
| 147 | S | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -67.4 | -29.8 | 176.2 | -139.3 | 0 | 0 | 0 | 0 | 112 | Y143 A144 V151 R226 | Y143-S147 WeakPolarHBondContact O-CB 3.42Å; Y143-S147 PolarHBondContact O-N 2.64Å; A144-S147 PolarHBondContact O-N 3.33Å; S147-V151 WeakPolarHBondContact O-CG2 3.15Å; S147-V151 PolarHBondContact O-N 2.96Å; S147-R226 WeakPolarHBondContact OG-CG 3.48Å; S147-R226 PolarHBondContact OG-NH1 3.02Å |
| 148 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -65.7 | -47.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A144 S146 V150 V151 Y152 G225 V229 F258 T261 L265 | A144-A148 VanDerWaalsContact O-CB 3.28Å; A144-A148 WeakPolarHBondContact O-CB 3.37Å; A144-A148 PolarHBondContact O-N 3.48Å; S146-A148 VanDerWaalsContact C-N 3.27Å; S146-A148 PolarHBondContact O-N 3.03Å; A148-V150 VanDerWaalsContact C-N 3.34Å; A148-V150 PolarHBondContact O-N 3.07Å; A148-V151 WeakPolarHBondContact O-CB 3.43Å; A148-V151 PolarHBondContact O-N 2.99Å; A148-V151 VanDerWaalsContact O-N 3.12Å; A148-Y152 WeakPolarHBondContact O-CB 3.49Å; A148-Y152 PolarHBondContact O-N 2.83Å; A148-G225 WeakPolarHBondContact CB-O 3.19Å; A148-V229 HydrophobicContact CB-CG2 3.77Å; A148-V229 WeakPolarHBondContact O-CG2 3.35Å; A148-F258 HydrophobicContact CB-CE2 4.09Å; A148-F258 HydrophobicContact CB-CZ 4.11Å; A148-T261 HydrophobicContact CB-CG2 3.97Å; A148-L265 HydrophobicContact CB-CD1 4.12Å |
| 149 | G | 97.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 9.4 Ų | 9.4 | 3% | 0.031 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -58.3 | -42.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | I145 S146 V151 Y152 A153 | I145-G149 PolarHBondContact O-N 3.05Å; S146-G149 PolarHBondContact O-N 2.9Å; S146-G149 VanDerWaalsContact O-N 3.16Å; G149-V151 PolarHBondContact O-N 3.33Å; G149-Y152 PolarHBondContact O-N 3.2Å; G149-A153 VanDerWaalsContact O-CB 3.29Å; G149-A153 WeakPolarHBondContact O-CB 3.16Å; G149-A153 PolarHBondContact O-N 3.02Å |
| 150 | V | 97 | Very high | 97.1 | Very high | 6 Ų | 6 | 14.8 Ų | 14.8 | 4% | 0.036 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.2 | -38.4 | 174.7 | 173.7 | 0 | 0 | 0 | 0 | 112.2 | I96 S146 A148 L154 A199 I203 | I96-V150 HydrophobicContact CD1-CG1 4.22Å; I96-V150 HydrophobicContact CG1-CG1 4.15Å; I96-V150 HydrophobicContact CG2-CG2 4.36Å; S146-V150 WeakPolarHBondContact O-CG2 3.21Å; S146-V150 PolarHBondContact O-N 2.77Å; A148-V150 VanDerWaalsContact C-N 3.34Å; A148-V150 PolarHBondContact O-N 3.07Å; V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 WeakPolarHBondContact O-CB 3.44Å; V150-L154 VanDerWaalsContact O-CG 3.25Å; V150-L154 WeakPolarHBondContact O-CG 3.46Å; V150-L154 PolarHBondContact O-N 3.4Å; V150-A199 HydrophobicContact CB-CB 4.3Å; V150-A199 HydrophobicContact CG1-CB 3.75Å; V150-I203 HydrophobicContact CG1-CG1 4.49Å; V150-I203 HydrophobicContact CG2-CD1 3.97Å; V150-I203 HydrophobicContact CG2-CG1 4.42Å |
| 151 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.2 | -46.7 | 173.2 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | S147 A148 G149 T155 V192 I196 A199 R226 V229 | S147-V151 WeakPolarHBondContact O-CG2 3.15Å; S147-V151 PolarHBondContact O-N 2.96Å; A148-V151 WeakPolarHBondContact O-CB 3.43Å; A148-V151 PolarHBondContact O-N 2.99Å; A148-V151 VanDerWaalsContact O-N 3.12Å; G149-V151 PolarHBondContact O-N 3.33Å; V151-T155 VanDerWaalsContact O-CB 3.24Å; V151-T155 WeakPolarHBondContact O-CB 3.4Å; V151-T155 PolarHBondContact O-N 3.32Å; V151-T155 PolarHBondContact O-OG1 3.18Å; V151-V192 HydrophobicContact CG1-CG2 3.75Å; V151-I196 HydrophobicContact CG1-CG1 3.75Å; V151-I196 HydrophobicContact CG2-CB 4.47Å; V151-I196 HydrophobicContact CG2-CG1 3.89Å; V151-A199 HydrophobicContact CG2-CB 3.45Å; V151-A199 VanDerWaalsContact CG2-CB 3.45Å; V151-R226 HydrophobicContact CG2-CB 3.95Å; V151-R226 HydrophobicContact CG2-CG 3.61Å; V151-V229 HydrophobicContact CB-CG2 4.23Å; V151-V229 HydrophobicContact CG1-CB 3.97Å; V151-V229 HydrophobicContact CG1-CG1 4Å; V151-V229 HydrophobicContact CG1-CG2 4.2Å |
| 152 | Y | 98.1 | Very high | 96.8 | Very high | 22 Ų | 22 | 23 Ų | 23 | 9% | 0.086 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.8 | -52.6 | -176.6 | -173.8 | -96.4 | 0 | 0 | 0 | 111.6 | E102 A148 G149 L154 T155 R156 V229 L255 S256 F258 | E102-Y152 WeakPolarHBondContact OE1-CE1 3.22Å; A148-Y152 WeakPolarHBondContact O-CB 3.49Å; A148-Y152 PolarHBondContact O-N 2.83Å; G149-Y152 PolarHBondContact O-N 3.2Å; Y152-L154 PolarHBondContact O-N 2.84Å; Y152-T155 PolarHBondContact O-N 2.97Å; Y152-R156 WeakPolarHBondContact O-CB 3.42Å; Y152-R156 PolarHBondContact O-N 3.18Å; Y152-V229 HydrophobicContact CD2-CG1 4.17Å; Y152-L255 HydrophobicContact CD2-CB 4.36Å; Y152-L255 HydrophobicContact CD2-CD1 3.89Å; Y152-L255 HydrophobicContact CD2-CD2 4Å; Y152-L255 HydrophobicContact CD2-CG 4.32Å; Y152-L255 HydrophobicContact CE2-CB 3.87Å; Y152-L255 HydrophobicContact CE2-CD1 3.97Å; Y152-L255 HydrophobicContact CE2-CD2 4.36Å; Y152-L255 HydrophobicContact CE2-CG 4.3Å; Y152-L255 HydrophobicContact CG-CD1 4.4Å; Y152-S256 WeakPolarHBondContact CE2-O 3.45Å; Y152-F258 HydrophobicContact CD1-CB 4.35Å; Y152-F258 AromaticContact CD1-CD2 3.93Å; Y152-F258 HydrophobicContact CD1-CD2 3.93Å; Y152-F258 HydrophobicContact CD1-CG 4.37Å; Y152-F258 HydrophobicContact CD2-CB 4.41Å; Y152-F258 AromaticContact CD2-CD2 3.67Å; Y152-F258 HydrophobicContact CD2-CD2 3.67Å; Y152-F258 HydrophobicContact CD2-CE2 4.5Å; Y152-F258 HydrophobicContact CE1-CB 3.99Å; Y152-F258 HydrophobicContact CE1-CD2 4.4Å; Y152-F258 HydrophobicContact CE1-CG 4.49Å; Y152-F258 HydrophobicContact CE2-CB 4.05Å; Y152-F258 HydrophobicContact CE2-CD2 4.16Å; Y152-F258 AromaticContact CG-CD2 3.53Å; Y152-F258 HydrophobicContact CG-CD2 3.53Å; Y152-F258 HydrophobicContact CG-CE2 4.13Å; Y152-F258 HydrophobicContact CG-CG 4.36Å; Y152-F258 PolarHBondContact OH-N 3.28Å |
| 153 | A | 97.3 | Very high | 96.6 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 3% | 0.025 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.4 | -48.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G149 R156 A157 | G149-A153 VanDerWaalsContact O-CB 3.29Å; G149-A153 WeakPolarHBondContact O-CB 3.16Å; G149-A153 PolarHBondContact O-N 3.02Å; A153-R156 PolarHBondContact O-N 3.15Å; A153-A157 WeakPolarHBondContact O-CB 3.25Å; A153-A157 PolarHBondContact O-N 3.43Å |
| 154 | L | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.3 | -38.2 | 178.9 | -67.8 | -179.2 | 0 | 0 | 0 | 112.6 | I92 A95 I96 V150 Y152 R156 C158 L163 F198 | I92-L154 HydrophobicContact CB-CD2 4.43Å; I92-L154 HydrophobicContact CG2-CD1 4.18Å; I92-L154 HydrophobicContact CG2-CD2 3.62Å; A95-L154 HydrophobicContact CB-CD2 4.12Å; I96-L154 HydrophobicContact CD1-CD1 4.25Å; I96-L154 HydrophobicContact CD1-CD2 4.42Å; I96-L154 HydrophobicContact CG1-CD1 4.3Å; I96-L154 HydrophobicContact CG1-CD2 3.93Å; I96-L154 HydrophobicContact CG1-CG 4.15Å; V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 WeakPolarHBondContact O-CB 3.44Å; V150-L154 VanDerWaalsContact O-CG 3.25Å; V150-L154 WeakPolarHBondContact O-CG 3.46Å; V150-L154 PolarHBondContact O-N 3.4Å; Y152-L154 PolarHBondContact O-N 2.84Å; L154-R156 VanDerWaalsContact C-N 3.35Å; L154-C158 WeakPolarHBondContact O-CB 3.27Å; L154-C158 PolarHBondContact O-N 3.01Å; L154-C158 PolarHBondContact O-SG 3.4Å; L154-L163 HydrophobicContact CD2-CD1 3.97Å; L154-F198 HydrophobicContact CD1-CB 3.98Å; L154-F198 HydrophobicContact CD1-CD1 3.44Å; L154-F198 VanDerWaalsContact CD1-CD1 3.44Å; L154-F198 HydrophobicContact CD1-CE1 4.27Å; L154-F198 HydrophobicContact CD1-CG 3.9Å |
| 155 | T | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.9 | -44 | 178.7 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | V151 Y152 C158 S159 D190 V192 L255 | V151-T155 VanDerWaalsContact O-CB 3.24Å; V151-T155 WeakPolarHBondContact O-CB 3.4Å; V151-T155 PolarHBondContact O-N 3.32Å; V151-T155 PolarHBondContact O-OG1 3.18Å; Y152-T155 PolarHBondContact O-N 2.97Å; T155-C158 PolarHBondContact O-N 2.03Å; T155-S159 PolarHBondContact O-N 3.3Å; T155-S159 PolarHBondContact O-OG 2.95Å; T155-D190 HydrophobicContact CG2-CB 3.72Å; T155-V192 HydrophobicContact CG2-CB 4.09Å; T155-V192 WeakPolarHBondContact OG1-CA 3.44Å; T155-L255 HydrophobicContact CG2-CD1 3.93Å; T155-L255 HydrophobicContact CG2-CD2 4.01Å; T155-L255 HydrophobicContact CG2-CG 4.04Å |
| 156 | R | 96.6 | Very high | 95.6 | Very high | 75 Ų | 75 | 35.4 Ų | 35.4 | 28% | 0.283 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.7 | -47.5 | 176.7 | -167.5 | -175.3 | 54.1 | -140.1 | -12.5 | 112.2 | E102 Y152 A153 L154 C158 S159 Q160 L255 | E102-R156 VanDerWaalsContact CD-NH1 3.29Å; E102-R156 IonicContact OE1-CZ 3.59Å; E102-R156 IonicContact OE1-NH1 3.66Å; E102-R156 PolarHBondContact OE1-NH1 3.25Å; E102-R156 IonicContact OE2-CZ 3.82Å; E102-R156 VanDerWaalsContact OE2-CZ 3.28Å; E102-R156 IonicContact OE2-NH1 2.78Å; E102-R156 PolarHBondContact OE2-NH1 3.43Å; E102-R156 IonicContact OE2-NH2 3.49Å; E102-R156 PolarHBondContact OE2-NH2 3.11Å; Y152-R156 WeakPolarHBondContact O-CB 3.42Å; Y152-R156 PolarHBondContact O-N 3.18Å; A153-R156 PolarHBondContact O-N 3.15Å; L154-R156 VanDerWaalsContact C-N 3.35Å; R156-C158 VanDerWaalsContact C-N 3.26Å; R156-C158 PolarHBondContact O-N 3.28Å; R156-S159 PolarHBondContact O-N 3.35Å; R156-S159 VanDerWaalsContact O-N 3.08Å; R156-S159 PolarHBondContact O-OG 2.72Å; R156-Q160 HydrophobicContact CG-CG 4.33Å; R156-Q160 VanDerWaalsContact CG-OE1 3.3Å; R156-Q160 WeakPolarHBondContact O-CB 3.5Å; R156-Q160 WeakPolarHBondContact O-CG 3.43Å; R156-Q160 PolarHBondContact O-N 2.94Å; R156-L255 HydrophobicContact CB-CD1 4Å |
| 157 | A | 96.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.2 | -33.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A95 A153 G161 E162 L163 | A95-A157 HydrophobicContact CB-CB 3.93Å; A153-A157 WeakPolarHBondContact O-CB 3.25Å; A153-A157 PolarHBondContact O-N 3.43Å; A157-G161 PolarHBondContact O-N 2.82Å; A157-E162 WeakPolarHBondContact CA-OE2 2.95Å; A157-E162 HydrophobicContact CB-CB 4.26Å; A157-E162 VanDerWaalsContact CB-OE2 3.22Å; A157-E162 WeakPolarHBondContact CB-OE2 3.3Å; A157-E162 PolarHBondContact O-N 2.96Å; A157-L163 HydrophobicContact CB-CD1 3.63Å; A157-L163 HydrophobicContact CB-CG 3.82Å |
| 158 | C | 96.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.02 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.6 | -30.9 | 173 | -69.3 | 0 | 0 | 0 | 0 | 114.3 | L154 T155 R156 C166 Y194 | L154-C158 WeakPolarHBondContact O-CB 3.27Å; L154-C158 PolarHBondContact O-N 3.01Å; L154-C158 PolarHBondContact O-SG 3.4Å; T155-C158 PolarHBondContact O-N 2.03Å; R156-C158 VanDerWaalsContact C-N 3.26Å; R156-C158 PolarHBondContact O-N 3.28Å; C158-C166 VanDerWaalsContact CA-SG 3.53Å; C158-C166 HydrophobicContact CB-CB 3.78Å; C158-C166 WeakPolarHBondContact CB-SG 3.14Å; C158-C166 WeakPolarHBondContact SG-CB 3.21Å; C158-C166 CovalentContact SG-SG 2.02Å; C158-C166 PolarHBondContact SG-SG 2.79Å; C158-Y194 WeakPolarHBondContact SG-CD1 3.4Å; C158-Y194 VanDerWaalsContact SG-CE1 3.57Å |
| 159 | S | 95.4 | Very high | 95.2 | Very high | 31 Ų | 31 | 43 Ų | 43 | 22% | 0.217 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -89.7 | -24.9 | 178.4 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | T155 R156 G161 C188 D190 | T155-S159 PolarHBondContact O-N 3.3Å; T155-S159 PolarHBondContact O-OG 2.95Å; R156-S159 PolarHBondContact O-N 3.35Å; R156-S159 VanDerWaalsContact O-N 3.08Å; R156-S159 PolarHBondContact O-OG 2.72Å; S159-G161 VanDerWaalsContact C-N 3.26Å; S159-C188 VanDerWaalsContact CA-SG 3.54Å; S159-C188 WeakPolarHBondContact CB-SG 3.36Å; S159-D190 WeakPolarHBondContact CB-OD1 3.4Å; S159-D190 PolarHBondContact OG-OD1 3.26Å |
| 160 | Q | 94.8 | Very high | 95 | Very high | 114 Ų | 114 | 46.1 Ų | 46.1 | 53% | 0.533 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -75.8 | -11.5 | 168.9 | -67.6 | 179.5 | -68.3 | 0 | 0 | 113.2 | R156 E162 | R156-Q160 HydrophobicContact CG-CG 4.33Å; R156-Q160 VanDerWaalsContact CG-OE1 3.3Å; R156-Q160 WeakPolarHBondContact O-CB 3.5Å; R156-Q160 WeakPolarHBondContact O-CG 3.43Å; R156-Q160 PolarHBondContact O-N 2.94Å; Q160-E162 HydrophobicContact CB-CG 3.93Å |
| 161 | G | 94.3 | Very high | 94.8 | Very high | 63 Ų | 63 | 52.4 Ų | 52.4 | 65% | 0.649 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 13.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A157 S159 L163 | A157-G161 PolarHBondContact O-N 2.82Å; S159-G161 VanDerWaalsContact C-N 3.26Å; G161-L163 VanDerWaalsContact C-N 3.31Å; G161-L163 PolarHBondContact O-N 2.94Å |
| 162 | E | 93.5 | Very high | 94.6 | Very high | 109 Ų | 109 | 57.2 Ų | 57.2 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | trans | -72.6 | -24.9 | -177.6 | -58.8 | 175.1 | 161.8 | 0 | 0 | 112.5 | A157 Q160 | A157-E162 WeakPolarHBondContact CA-OE2 2.95Å; A157-E162 HydrophobicContact CB-CB 4.26Å; A157-E162 VanDerWaalsContact CB-OE2 3.22Å; A157-E162 WeakPolarHBondContact CB-OE2 3.3Å; A157-E162 PolarHBondContact O-N 2.96Å; Q160-E162 HydrophobicContact CB-CG 3.93Å | ||
| 163 | L | 93.4 | Very high | 94.3 | Very high | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | trans | -111.5 | 124.8 | -173.8 | -63.7 | 178.6 | 0 | 0 | 0 | 111.7 | D91 I92 A95 L154 A157 G161 L165 C166 | D91-L163 VanDerWaalsContact C-CD2 3.4Å; D91-L163 HydrophobicContact CB-CD2 3.85Å; D91-L163 WeakPolarHBondContact O-CD2 3.43Å; I92-L163 HydrophobicContact CG1-CD1 4.27Å; I92-L163 HydrophobicContact CG1-CD2 4.05Å; A95-L163 HydrophobicContact CB-CD1 4.4Å; A95-L163 HydrophobicContact CB-CD2 4.2Å; L154-L163 HydrophobicContact CD2-CD1 3.97Å; A157-L163 HydrophobicContact CB-CD1 3.63Å; A157-L163 HydrophobicContact CB-CG 3.82Å; G161-L163 VanDerWaalsContact C-N 3.31Å; G161-L163 PolarHBondContact O-N 2.94Å; L163-L165 PolarHBondContact O-N 3.35Å; L163-C166 VanDerWaalsContact CB-SG 3.55Å | ||
| 164 | K | 88.8 | Confident | 94.1 | Very high | 198 Ų | 198 | 67 Ų | 67 | 86% | 0.861 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -12.3 | -174.5 | -64.4 | 178.9 | -179.5 | 177.6 | 0 | 114.3 | D91 | D91-K164 PolarHBondContact OD2-N 3.22Š|
| 165 | L | 89.4 | Confident | 94 | Very high | 81 Ų | 81 | 75 Ų | 75 | 42% | 0.424 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -1.6 | -168.8 | -69.9 | 150 | 0 | 0 | 0 | 113.7 | H89 I92 L163 | H89-L165 HydrophobicContact CB-CD1 3.97Å; H89-L165 WeakPolarHBondContact ND1-CD1 3.49Å; I92-L165 HydrophobicContact CD1-CB 4.35Å; I92-L165 HydrophobicContact CD1-CD1 3.83Å; I92-L165 HydrophobicContact CG1-CD1 4.18Å; L163-L165 PolarHBondContact O-N 3.35Å |
| 166 | C | 93.7 | Very high | 93.8 | Very high | 10 Ų | 10 | 76.3 Ų | 76.3 | 7% | 0.068 | 39% | 0.39 | C | S | . | . | trans | -145.7 | 166.6 | -179.3 | 49.7 | 0 | 0 | 0 | 0 | 110.9 | C158 L163 Y194 | C158-C166 VanDerWaalsContact CA-SG 3.53Å; C158-C166 HydrophobicContact CB-CB 3.78Å; C158-C166 WeakPolarHBondContact CB-SG 3.14Å; C158-C166 WeakPolarHBondContact SG-CB 3.21Å; C158-C166 CovalentContact SG-SG 2.02Å; C158-C166 PolarHBondContact SG-SG 2.79Å; L163-C166 VanDerWaalsContact CB-SG 3.55Å; C166-Y194 HydrophobicContact CB-CD1 3.75Å; C166-Y194 HydrophobicContact CB-CD2 4.01Å; C166-Y194 HydrophobicContact CB-CE1 3.6Å; C166-Y194 HydrophobicContact CB-CE2 3.86Å; C166-Y194 HydrophobicContact CB-CG 3.96Å | ||
| 167 | N | 93.4 | Very high | 93.7 | Very high | 122 Ų | 122 | 78 Ų | 78 | 65% | 0.652 | 41% | 0.405 | S | S | * | . | trans | -146.8 | 172 | 178.8 | -68.8 | -91.9 | 0 | 0 | 0 | 108.2 | N191 | N167-N191 WeakPolarHBondContact O-CB 3.42Å; N167-N191 PolarHBondContact O-ND2 2.71Å; N167-N191 VanDerWaalsContact O-ND2 3.11Å | ||
| 168 | C | 95.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 80 Ų | 80 | 31% | 0.311 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -43 | 149.7 | 164.3 | -44.5 | 0 | 0 | 0 | 0 | 112.4 | P170 C188 S189 | C168-P170 VanDerWaalsContact O-CD 3.24Å; C168-P170 WeakPolarHBondContact O-CD 3.45Å; C168-C188 HydrophobicContact CB-CB 4.06Å; C168-C188 WeakPolarHBondContact CB-SG 3.35Å; C168-C188 VanDerWaalsContact SG-CA 3.55Å; C168-C188 WeakPolarHBondContact SG-CB 3.32Å; C168-C188 CovalentContact SG-SG 2.03Å; C168-C188 PolarHBondContact SG-SG 3.06Å; C168-S189 CarbonylContact C-O 3.52Å; C168-S189 VanDerWaalsContact CA-O 3.29Å; C168-S189 WeakPolarHBondContact CA-O 3.17Å |
| 169 | D | 95.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 84.3 Ų | 84.3 | 6% | 0.059 | 46% | 0.46 | C | S | . | . | trans | -57 | 110 | -179.2 | -173.3 | -4.3 | 0 | 0 | 0 | 111.1 | L171 R172 S189 N191 | D169-L171 PolarHBondContact O-N 3.36Å; D169-L171 VanDerWaalsContact O-N 3.16Å; D169-L171 WeakPolarHBondContact OD1-CB 3.48Å; D169-L171 WeakPolarHBondContact OD1-CG 3.45Å; D169-L171 PolarHBondContact OD1-N 3.38Å; D169-L171 VanDerWaalsContact OD1-N 3.08Å; D169-R172 HydrophobicContact CB-CG 4.09Å; D169-R172 PolarHBondContact O-N 3.2Å; D169-R172 IonicContact OD2-NE 3.75Å; D169-S189 PolarHBondContact N-O 3.49Å; D169-N191 HydrophobicContact CB-CB 4.38Å | ||
| 170 | P | 92.7 | Very high | 92.9 | Very high | 68 Ų | 68 | 91.5 Ų | 91.5 | 44% | 0.442 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -10.9 | -175.8 | 31.1 | -36.4 | 0 | 0 | 0 | 112.9 | C168 R172 R173 | C168-P170 VanDerWaalsContact O-CD 3.24Å; C168-P170 WeakPolarHBondContact O-CD 3.45Å; P170-R172 VanDerWaalsContact C-N 3.26Å; P170-R172 PolarHBondContact O-N 3.11Å; P170-R173 WeakPolarHBondContact O-CD 3.17Å |
| 171 | L | 93.1 | Very high | 92.8 | Very high | 137 Ų | 137 | 87.5 Ų | 87.5 | 72% | 0.717 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1.1 | 178.1 | -52.8 | 177.4 | 0 | 0 | 0 | 113 | D169 | D169-L171 PolarHBondContact O-N 3.36Å; D169-L171 VanDerWaalsContact O-N 3.16Å; D169-L171 WeakPolarHBondContact OD1-CB 3.48Å; D169-L171 WeakPolarHBondContact OD1-CG 3.45Å; D169-L171 PolarHBondContact OD1-N 3.38Å; D169-L171 VanDerWaalsContact OD1-N 3.08Å |
| 172 | R | 93.2 | Very high | 92.8 | Very high | 101 Ų | 101 | 88.1 Ų | 88.1 | 38% | 0.381 | 47% | 0.465 | S | S | . | . | trans | -114.4 | 78.5 | -178.2 | -58.5 | -58.9 | 174.3 | 178.6 | -2.7 | 110 | D169 P170 W185 S189 | D169-R172 HydrophobicContact CB-CG 4.09Å; D169-R172 PolarHBondContact O-N 3.2Å; D169-R172 IonicContact OD2-NE 3.75Å; P170-R172 VanDerWaalsContact C-N 3.26Å; P170-R172 PolarHBondContact O-N 3.11Å; R172-W185 VanDerWaalsContact C-CB 3.47Å; R172-W185 HydrophobicContact CB-CD2 3.94Å; R172-W185 HydrophobicContact CB-CE3 3.84Å; R172-W185 HydrophobicContact CB-CG 4.31Å; R172-W185 HydrophobicContact CB-CZ3 4.4Å; R172-W185 HydrophobicContact CG-CE3 4.32Å; R172-W185 HydrophobicContact CG-CZ3 4.4Å; R172-W185 VanDerWaalsContact NH1-CZ2 3.32Å; R172-S189 WeakPolarHBondContact CB-OG 3.3Å | ||
| 173 | R | 91.8 | Very high | 92.8 | Very high | 185 Ų | 185 | 83.3 Ų | 83.3 | 70% | 0.698 | 44% | 0.443 | S | S | * | . | trans | -147.1 | 153 | -175.1 | -64 | -179.1 | 177.8 | 168.8 | -2.3 | 110.5 | P170 | P170-R173 WeakPolarHBondContact O-CD 3.17Š| ||
| 174 | G | 92.9 | Very high | 93 | Very high | 47 Ų | 47 | 85.5 Ų | 85.5 | 49% | 0.485 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.1 | -168.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | W185 | G174-W185 WeakPolarHBondContact O-CB 3.13Å; G174-W185 VanDerWaalsContact O-CD1 3.28Å; G174-W185 PolarHBondContact O-N 3.34Å |
| 175 | R | 94.6 | Very high | 93.3 | Very high | 168 Ų | 168 | 77.9 Ų | 77.9 | 63% | 0.634 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 146.9 | -174.8 | -164.1 | 170.1 | 177.4 | 128.9 | -11.2 | 112.4 | D182 D184 | R175-D182 IonicContact CZ-OD2 3.21Å; R175-D182 IonicContact NE-OD2 2.84Å; R175-D182 PolarHBondContact NE-OD2 3.33Å; R175-D182 IonicContact NH2-OD2 2.73Å; R175-D182 PolarHBondContact NH2-OD2 2.97Å; R175-D184 WeakPolarHBondContact CA-OD1 3.19Å; R175-D184 VanDerWaalsContact CB-OD1 3.29Å; R175-D184 WeakPolarHBondContact CB-OD1 3.39Å; R175-D184 WeakPolarHBondContact CG-OD1 3.3Å |
| 176 | A | 95.3 | Very high | 93.4 | Very high | 26 Ų | 26 | 75 Ų | 75 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | -177 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D182 F183 W185 | A176-D182 CarbonylContact O-C 3.42Å; A176-D182 WeakPolarHBondContact O-CA 3.33Å; A176-F183 HydrophobicContact CB-CD1 4.49Å; A176-F183 HydrophobicContact CB-CD2 4.34Å; A176-F183 HydrophobicContact CB-CE1 3.96Å; A176-F183 HydrophobicContact CB-CE2 3.8Å; A176-F183 HydrophobicContact CB-CZ 3.59Å; A176-F183 PolarHBondContact N-O 3.21Å; A176-F183 PolarHBondContact O-N 2.8Å; A176-W185 VanDerWaalsContact CB-NE1 3.3Å |
| 177 | N | 93.9 | Very high | 93.3 | Very high | 111 Ų | 111 | 78.1 Ų | 78.1 | 59% | 0.594 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 143.8 | -169.9 | 171.5 | -90.9 | 0 | 0 | 0 | 110.4 | D182 | N177-D182 PolarHBondContact ND2-OD1 2.79Å |
| 178 | D | 91.6 | Very high | 93.4 | Very high | 44 Ų | 44 | 74 Ų | 74 | 24% | 0.235 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | -174.6 | 164.1 | 74.5 | 19.3 | 0 | 0 | 0 | 111 | K180 G181 F183 M235 R249 | D178-K180 PolarHBondContact O-N 2.76Å; D178-K180 WeakPolarHBondContact OD1-CA 3.18Å; D178-K180 VanDerWaalsContact OD1-CB 3.32Å; D178-K180 WeakPolarHBondContact OD1-CB 3.41Å; D178-K180 PolarHBondContact OD1-N 2.8Å; D178-G181 PolarHBondContact N-O 2.76Å; D178-G181 PolarHBondContact O-N 3.3Å; D178-F183 HydrophobicContact CB-CE1 4.1Å; D178-M235 HydrophobicContact CB-CE 4.35Å; D178-M235 WeakPolarHBondContact OD2-CE 3.19Å; D178-R249 VanDerWaalsContact CG-NH2 3.32Å; D178-R249 IonicContact OD1-CZ 3.54Å; D178-R249 IonicContact OD1-NH1 2.73Å; D178-R249 PolarHBondContact OD1-NH1 3.22Å; D178-R249 IonicContact OD1-NH2 2.8Å; D178-R249 PolarHBondContact OD1-NH2 3.46Å; D178-R249 IonicContact OD2-CZ 2.88Å; D178-R249 IonicContact OD2-NH1 2.68Å; D178-R249 PolarHBondContact OD2-NH1 3.33Å; D178-R249 IonicContact OD2-NH2 3.5Å |
| 179 | G | 90.6 | Very high | 93.5 | Very high | 92 Ų | 92 | 72.1 Ų | 72.1 | 95% | 0.948 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 0.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 180 | K | 89.4 | Confident | 93.5 | Very high | 183 Ų | 183 | 72.3 Ų | 72.3 | 80% | 0.796 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | 7.9 | 170.5 | -55.3 | 177.9 | 179.4 | 179.4 | 0 | 112.3 | D178 | D178-K180 PolarHBondContact O-N 2.76Å; D178-K180 WeakPolarHBondContact OD1-CA 3.18Å; D178-K180 VanDerWaalsContact OD1-CB 3.32Å; D178-K180 WeakPolarHBondContact OD1-CB 3.41Å; D178-K180 PolarHBondContact OD1-N 2.8Å |
| 181 | G | 91.3 | Very high | 93.7 | Very high | 30 Ų | 30 | 70.3 Ų | 70.3 | 31% | 0.309 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 100.9 | -155.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | D178 R249 | D178-G181 PolarHBondContact N-O 2.76Å; D178-G181 PolarHBondContact O-N 3.3Å; G181-R249 PolarHBondContact O-NH2 2.98Å |
| 182 | D | 94.2 | Very high | 94 | Very high | 76 Ų | 76 | 63.8 Ų | 63.8 | 41% | 0.406 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 162.1 | -177.3 | -75.1 | 9.6 | 0 | 0 | 0 | 113.2 | R175 A176 N177 R249 | R175-D182 IonicContact CZ-OD2 3.21Å; R175-D182 IonicContact NE-OD2 2.84Å; R175-D182 PolarHBondContact NE-OD2 3.33Å; R175-D182 IonicContact NH2-OD2 2.73Å; R175-D182 PolarHBondContact NH2-OD2 2.97Å; A176-D182 CarbonylContact O-C 3.42Å; A176-D182 WeakPolarHBondContact O-CA 3.33Å; N177-D182 PolarHBondContact ND2-OD1 2.79Å; D182-R249 PolarHBondContact O-NE 2.82Å; D182-R249 PolarHBondContact O-NH2 3.23Å; D182-R249 VanDerWaalsContact O-NH2 3.08Å |
| 183 | F | 95.3 | Very high | 94.2 | Very high | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.035 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 160.8 | 166.2 | 65.2 | -88.8 | 0 | 0 | 0 | 110.6 | A176 D178 W185 M235 R249 C251 | A176-F183 HydrophobicContact CB-CD1 4.49Å; A176-F183 HydrophobicContact CB-CD2 4.34Å; A176-F183 HydrophobicContact CB-CE1 3.96Å; A176-F183 HydrophobicContact CB-CE2 3.8Å; A176-F183 HydrophobicContact CB-CZ 3.59Å; A176-F183 PolarHBondContact N-O 3.21Å; A176-F183 PolarHBondContact O-N 2.8Å; D178-F183 HydrophobicContact CB-CE1 4.1Å; F183-W185 AromaticContact CE2-CD2 3.77Å; F183-W185 HydrophobicContact CE2-CD2 3.77Å; F183-W185 AromaticContact CE2-CE2 3.61Å; F183-W185 HydrophobicContact CE2-CE3 4.05Å; F183-W185 HydrophobicContact CE2-CG 4.29Å; F183-W185 HydrophobicContact CE2-CH2 4.01Å; F183-W185 AromaticContact CE2-CZ2 3.74Å; F183-W185 HydrophobicContact CE2-CZ2 3.74Å; F183-W185 HydrophobicContact CE2-CZ3 4.16Å; F183-W185 AromaticContact CZ-CE2 3.98Å; F183-W185 HydrophobicContact CZ-CH2 4.09Å; F183-W185 AromaticContact CZ-CZ2 3.72Å; F183-W185 HydrophobicContact CZ-CZ2 3.72Å; F183-M235 HydrophobicContact CD1-CE 4.32Å; F183-M235 HydrophobicContact CE1-CE 3.76Å; F183-M235 HydrophobicContact CE1-SD 4.19Å; F183-M235 HydrophobicContact CE2-CE 4.36Å; F183-M235 HydrophobicContact CE2-SD 3.98Å; F183-M235 HydrophobicContact CZ-CE 3.77Å; F183-M235 HydrophobicContact CZ-SD 3.57Å; F183-M235 VanDerWaalsContact CZ-SD 3.57Å; F183-R249 HydrophobicContact CB-CG 3.69Å; F183-C251 HydrophobicContact CD2-CB 3.55Å; F183-C251 HydrophobicContact CE2-CB 3.84Å; F183-C251 HydrophobicContact CG-CB 4.24Å |
| 184 | D | 95.8 | Very high | 94.4 | Very high | 52 Ų | 52 | 55.7 Ų | 55.7 | 28% | 0.278 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 137.1 | 170.1 | -68.2 | -60.9 | 0 | 0 | 0 | 110.9 | R175 G186 R249 T250 C251 | R175-D184 WeakPolarHBondContact CA-OD1 3.19Å; R175-D184 VanDerWaalsContact CB-OD1 3.29Å; R175-D184 WeakPolarHBondContact CB-OD1 3.39Å; R175-D184 WeakPolarHBondContact CG-OD1 3.3Å; D184-G186 PolarHBondContact O-N 2.91Å; D184-R249 PolarHBondContact N-O 3.2Å; D184-R249 VanDerWaalsContact N-O 3.14Å; D184-T250 CarbonylContact O-C 3.59Å; D184-T250 WeakPolarHBondContact O-CA 3.39Å; D184-C251 PolarHBondContact O-N 2.89Å |
| 185 | W | 96.1 | Very high | 94.5 | Very high | 37 Ų | 37 | 53.4 Ų | 53.4 | 14% | 0.14 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 122.3 | 169.5 | -70.1 | 107.9 | 0 | 0 | 0 | 109.6 | R172 G174 A176 F183 M235 C251 M253 | R172-W185 VanDerWaalsContact C-CB 3.47Å; R172-W185 HydrophobicContact CB-CD2 3.94Å; R172-W185 HydrophobicContact CB-CE3 3.84Å; R172-W185 HydrophobicContact CB-CG 4.31Å; R172-W185 HydrophobicContact CB-CZ3 4.4Å; R172-W185 HydrophobicContact CG-CE3 4.32Å; R172-W185 HydrophobicContact CG-CZ3 4.4Å; R172-W185 VanDerWaalsContact NH1-CZ2 3.32Å; G174-W185 WeakPolarHBondContact O-CB 3.13Å; G174-W185 VanDerWaalsContact O-CD1 3.28Å; G174-W185 PolarHBondContact O-N 3.34Å; A176-W185 VanDerWaalsContact CB-NE1 3.3Å; F183-W185 AromaticContact CE2-CD2 3.77Å; F183-W185 HydrophobicContact CE2-CD2 3.77Å; F183-W185 AromaticContact CE2-CE2 3.61Å; F183-W185 HydrophobicContact CE2-CE3 4.05Å; F183-W185 HydrophobicContact CE2-CG 4.29Å; F183-W185 HydrophobicContact CE2-CH2 4.01Å; F183-W185 AromaticContact CE2-CZ2 3.74Å; F183-W185 HydrophobicContact CE2-CZ2 3.74Å; F183-W185 HydrophobicContact CE2-CZ3 4.16Å; F183-W185 AromaticContact CZ-CE2 3.98Å; F183-W185 HydrophobicContact CZ-CH2 4.09Å; F183-W185 AromaticContact CZ-CZ2 3.72Å; F183-W185 HydrophobicContact CZ-CZ2 3.72Å; W185-M235 HydrophobicContact CH2-CG 4.5Å; W185-M235 HydrophobicContact CH2-SD 3.71Å; W185-M235 HydrophobicContact CZ2-SD 4.49Å; W185-M235 HydrophobicContact CZ3-CG 4.44Å; W185-M235 HydrophobicContact CZ3-SD 4.11Å; W185-C251 WeakPolarHBondContact CA-O 3.12Å; W185-M253 HydrophobicContact CH2-CG 4.07Å; W185-M253 HydrophobicContact CH2-SD 3.96Å; W185-M253 HydrophobicContact CZ3-CG 3.9Å; W185-M253 HydrophobicContact CZ3-SD 4.16Å |
| 186 | G | 91.9 | Very high | 94.7 | Very high | 21 Ų | 21 | 47.2 Ų | 47.2 | 22% | 0.216 | 30% | 0.295 | C | S | . | . | trans | -160.8 | 173 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D184 T250 C251 | D184-G186 PolarHBondContact O-N 2.91Å; G186-T250 VanDerWaalsContact CA-CG2 3.45Å; G186-C251 PolarHBondContact N-O 2.89Å; G186-C251 VanDerWaalsContact N-O 3.09Å | ||
| 187 | G | 90.6 | Very high | 94.8 | Very high | 76 Ų | 76 | 53.2 Ų | 53.2 | 78% | 0.784 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 71.6 | -153 | -163.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 188 | C | 95.1 | Very high | 94.9 | Very high | 36 Ų | 36 | 48.8 Ų | 48.8 | 24% | 0.243 | 29% | 0.291 | C | S | . | . | trans | -109.6 | 114.9 | 178.9 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | S159 C168 | S159-C188 VanDerWaalsContact CA-SG 3.54Å; S159-C188 WeakPolarHBondContact CB-SG 3.36Å; C168-C188 HydrophobicContact CB-CB 4.06Å; C168-C188 WeakPolarHBondContact CB-SG 3.35Å; C168-C188 VanDerWaalsContact SG-CA 3.55Å; C168-C188 WeakPolarHBondContact SG-CB 3.32Å; C168-C188 CovalentContact SG-SG 2.03Å; C168-C188 PolarHBondContact SG-SG 3.06Å | ||
| 189 | S | 97.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | trans | -84.1 | 133.3 | 169.4 | -72.7 | 0 | 0 | 0 | 0 | 111.2 | C168 D169 R172 N191 W252 M253 | C168-S189 CarbonylContact C-O 3.52Å; C168-S189 VanDerWaalsContact CA-O 3.29Å; C168-S189 WeakPolarHBondContact CA-O 3.17Å; D169-S189 PolarHBondContact N-O 3.49Å; R172-S189 WeakPolarHBondContact CB-OG 3.3Å; S189-N191 PolarHBondContact O-N 3.07Å; S189-W252 WeakPolarHBondContact OG-CA 3.43Å; S189-M253 CarbonylContact C-O 3.51Å; S189-M253 WeakPolarHBondContact CA-O 3.46Å; S189-M253 PolarHBondContact OG-N 2.94Å | ||
| 190 | D | 97.6 | Very high | 95.4 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 9% | 0.086 | 26% | 0.261 | C | S | . | . | trans | -65.5 | 119.2 | -177.8 | -89.6 | -43.6 | 0 | 0 | 0 | 113 | T155 S159 V192 M233 M253 A254 L255 | T155-D190 HydrophobicContact CG2-CB 3.72Å; S159-D190 WeakPolarHBondContact CB-OD1 3.4Å; S159-D190 PolarHBondContact OG-OD1 3.26Å; D190-V192 PolarHBondContact O-N 3.18Å; D190-M233 HydrophobicContact CB-SD 4.23Å; D190-M233 WeakPolarHBondContact O-CE 3.4Å; D190-M253 PolarHBondContact N-O 2.95Å; D190-A254 VanDerWaalsContact OD2-CA 3.32Å; D190-A254 WeakPolarHBondContact OD2-CA 3.48Å; D190-L255 HydrophobicContact CB-CG 4.21Å; D190-L255 WeakPolarHBondContact OD2-CG 3.49Å; D190-L255 PolarHBondContact OD2-N 2.91Å | ||
| 191 | N | 96.9 | Very high | 95.6 | Very high | 25 Ų | 25 | 42.3 Ų | 42.3 | 13% | 0.134 | 24% | 0.24 | C | C | . | . | trans | -83.2 | 60.9 | -176.3 | -162.8 | -19.4 | 0 | 0 | 0 | 112.7 | N167 D169 S189 N193 Y194 G195 | N167-N191 WeakPolarHBondContact O-CB 3.42Å; N167-N191 PolarHBondContact O-ND2 2.71Å; N167-N191 VanDerWaalsContact O-ND2 3.11Å; D169-N191 HydrophobicContact CB-CB 4.38Å; S189-N191 PolarHBondContact O-N 3.07Å; N191-N193 PolarHBondContact O-N 3.36Å; N191-Y194 WeakPolarHBondContact O-CB 3.21Å; N191-Y194 PolarHBondContact O-N 3.32Å; N191-Y194 PolarHBondContact OD1-N 2.81Å; N191-G195 PolarHBondContact O-N 2.98Å | ||
| 192 | V | 97.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.2 | -23.3 | -177.9 | 76.1 | 0 | 0 | 0 | 0 | 113.1 | V151 T155 D190 G195 I196 V229 K230 M233 | V151-V192 HydrophobicContact CG1-CG2 3.75Å; T155-V192 HydrophobicContact CG2-CB 4.09Å; T155-V192 WeakPolarHBondContact OG1-CA 3.44Å; D190-V192 PolarHBondContact O-N 3.18Å; V192-G195 PolarHBondContact O-N 2.73Å; V192-I196 HydrophobicContact CG2-CD1 4.23Å; V192-I196 HydrophobicContact CG2-CG1 4.48Å; V192-I196 WeakPolarHBondContact O-CB 3.4Å; V192-I196 VanDerWaalsContact O-CG1 3.23Å; V192-I196 WeakPolarHBondContact O-CG1 3.35Å; V192-I196 PolarHBondContact O-N 2.66Å; V192-V229 HydrophobicContact CG2-CG1 4.05Å; V192-K230 HydrophobicContact CG1-CB 4.05Å; V192-K230 HydrophobicContact CG1-CD 4.04Å; V192-K230 HydrophobicContact CG1-CG 3.9Å; V192-K230 HydrophobicContact CG2-CB 4.1Å; V192-M233 HydrophobicContact CB-CE 4.24Å; V192-M233 HydrophobicContact CB-CG 4.4Å; V192-M233 HydrophobicContact CB-SD 3.7Å; V192-M233 HydrophobicContact CG1-CE 3.68Å; V192-M233 HydrophobicContact CG1-CG 4.01Å; V192-M233 HydrophobicContact CG1-SD 3.65Å; V192-M233 HydrophobicContact CG2-SD 4.37Å |
| 193 | N | 97.3 | Very high | 95.7 | Very high | 62 Ų | 62 | 39.2 Ų | 39.2 | 33% | 0.332 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68 | -38.7 | 176 | -59.2 | -56.4 | 0 | 0 | 0 | 111.8 | N191 K197 K230 | N191-N193 PolarHBondContact O-N 3.36Å; N193-K197 WeakPolarHBondContact O-CB 3.04Å; N193-K197 PolarHBondContact O-N 2.87Å; N193-K230 PolarHBondContact OD1-NZ 2.93Å |
| 194 | Y | 96.3 | Very high | 95.7 | Very high | 53 Ų | 53 | 39.9 Ų | 39.9 | 21% | 0.208 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63 | -50.2 | 171.5 | 178.3 | -89.6 | 0 | 0 | 0 | 110.9 | I92 C158 C166 N191 I196 K197 F198 | I92-Y194 VanDerWaalsContact CD1-OH 3.3Å; I92-Y194 WeakPolarHBondContact CD1-OH 3.27Å; C158-Y194 WeakPolarHBondContact SG-CD1 3.4Å; C158-Y194 VanDerWaalsContact SG-CE1 3.57Å; C166-Y194 HydrophobicContact CB-CD1 3.75Å; C166-Y194 HydrophobicContact CB-CD2 4.01Å; C166-Y194 HydrophobicContact CB-CE1 3.6Å; C166-Y194 HydrophobicContact CB-CE2 3.86Å; C166-Y194 HydrophobicContact CB-CG 3.96Å; N191-Y194 WeakPolarHBondContact O-CB 3.21Å; N191-Y194 PolarHBondContact O-N 3.32Å; N191-Y194 PolarHBondContact OD1-N 2.81Å; Y194-I196 VanDerWaalsContact C-N 3.34Å; Y194-I196 PolarHBondContact O-N 2.98Å; Y194-K197 PolarHBondContact O-N 3.05Å; Y194-F198 PolarHBondContact O-N 2.87Å |
| 195 | G | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.1 | -47.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | N191 V192 K197 F198 A199 | N191-G195 PolarHBondContact O-N 2.98Å; V192-G195 PolarHBondContact O-N 2.73Å; G195-K197 PolarHBondContact O-N 2.95Å; G195-F198 PolarHBondContact O-N 3.05Å; G195-A199 WeakPolarHBondContact O-CB 3.07Å; G195-A199 PolarHBondContact O-N 2.7Å |
| 196 | I | 97.9 | Very high | 95.2 | Very high | 37 Ų | 37 | 41.6 Ų | 41.6 | 19% | 0.19 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 175.8 | -70.3 | 170.5 | 0 | 0 | 0 | 112.2 | V151 V192 Y194 K200 R226 K230 | V151-I196 HydrophobicContact CG1-CG1 3.75Å; V151-I196 HydrophobicContact CG2-CB 4.47Å; V151-I196 HydrophobicContact CG2-CG1 3.89Å; V192-I196 HydrophobicContact CG2-CD1 4.23Å; V192-I196 HydrophobicContact CG2-CG1 4.48Å; V192-I196 WeakPolarHBondContact O-CB 3.4Å; V192-I196 VanDerWaalsContact O-CG1 3.23Å; V192-I196 WeakPolarHBondContact O-CG1 3.35Å; V192-I196 PolarHBondContact O-N 2.66Å; Y194-I196 VanDerWaalsContact C-N 3.34Å; Y194-I196 PolarHBondContact O-N 2.98Å; I196-K200 VanDerWaalsContact O-CB 3.25Å; I196-K200 WeakPolarHBondContact O-CB 3.3Å; I196-K200 PolarHBondContact O-N 3.28Å; I196-R226 WeakPolarHBondContact CD1-O 3.49Å; I196-R226 HydrophobicContact CG1-CB 4.29Å; I196-R226 HydrophobicContact CG2-CB 4.47Å; I196-K230 HydrophobicContact CD1-CB 3.78Å; I196-K230 HydrophobicContact CD1-CD 3.99Å; I196-K230 HydrophobicContact CD1-CG 4.5Å |
| 197 | K | 97.1 | Very high | 95.1 | Very high | 153 Ų | 153 | 41.9 Ų | 41.9 | 67% | 0.665 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -65.2 | -45 | 179.4 | -174.4 | -179.5 | 178 | -176 | 0 | 111.2 | N193 Y194 G195 T201 | N193-K197 WeakPolarHBondContact O-CB 3.04Å; N193-K197 PolarHBondContact O-N 2.87Å; Y194-K197 PolarHBondContact O-N 3.05Å; G195-K197 PolarHBondContact O-N 2.95Å; K197-T201 WeakPolarHBondContact O-CB 3.46Å; K197-T201 PolarHBondContact O-N 3.4Å; K197-T201 VanDerWaalsContact O-N 3.08Å; K197-T201 PolarHBondContact O-OG1 3.45Å |
| 198 | F | 95.3 | Very high | 94.9 | Very high | 17 Ų | 17 | 48 Ų | 48 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.9 | -51.5 | 177.1 | -167 | -80.3 | 0 | 0 | 0 | 111.6 | L85 I92 I96 L154 Y194 G195 K200 T201 F202 | L85-F198 HydrophobicContact CB-CZ 4.46Å; I92-F198 HydrophobicContact CD1-CD2 4.08Å; I92-F198 HydrophobicContact CD1-CE2 3.88Å; I92-F198 HydrophobicContact CG2-CD1 4.01Å; I92-F198 HydrophobicContact CG2-CD2 4.3Å; I92-F198 HydrophobicContact CG2-CE1 3.55Å; I92-F198 HydrophobicContact CG2-CE2 3.88Å; I92-F198 HydrophobicContact CG2-CG 4.38Å; I92-F198 HydrophobicContact CG2-CZ 3.5Å; I92-F198 VanDerWaalsContact CG2-CZ 3.5Å; I96-F198 HydrophobicContact CD1-CE1 3.97Å; L154-F198 HydrophobicContact CD1-CB 3.98Å; L154-F198 HydrophobicContact CD1-CD1 3.44Å; L154-F198 VanDerWaalsContact CD1-CD1 3.44Å; L154-F198 HydrophobicContact CD1-CE1 4.27Å; L154-F198 HydrophobicContact CD1-CG 3.9Å; Y194-F198 PolarHBondContact O-N 2.87Å; G195-F198 PolarHBondContact O-N 3.05Å; F198-K200 VanDerWaalsContact C-N 3.26Å; F198-K200 PolarHBondContact O-N 3.45Å; F198-T201 CarbonylContact O-C 3.6Å; F198-T201 WeakPolarHBondContact O-CA 3.4Å; F198-T201 PolarHBondContact O-N 3.3Å; F198-F202 HydrophobicContact CD1-CB 4Å; F198-F202 HydrophobicContact CE1-CB 3.58Å; F198-F202 HydrophobicContact CE1-CD2 4.14Å; F198-F202 AromaticContact CE1-CG 3.92Å; F198-F202 HydrophobicContact CE1-CG 3.92Å; F198-F202 HydrophobicContact CZ-CB 4.31Å; F198-F202 HydrophobicContact CZ-CD2 4.41Å; F198-F202 WeakPolarHBondContact O-CB 3.31Å; F198-F202 PolarHBondContact O-N 2.99Å |
| 199 | A | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.4 | -40 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V150 V151 G195 I203 R226 | V150-A199 HydrophobicContact CB-CB 4.3Å; V150-A199 HydrophobicContact CG1-CB 3.75Å; V151-A199 HydrophobicContact CG2-CB 3.45Å; V151-A199 VanDerWaalsContact CG2-CB 3.45Å; G195-A199 WeakPolarHBondContact O-CB 3.07Å; G195-A199 PolarHBondContact O-N 2.7Å; A199-I203 VanDerWaalsContact O-CB 3.26Å; A199-I203 WeakPolarHBondContact O-CB 3.38Å; A199-I203 WeakPolarHBondContact O-CG1 3.4Å; A199-I203 PolarHBondContact O-N 2.99Å; A199-R226 HydrophobicContact CB-CG 4.28Å |
| 200 | K | 96.9 | Very high | 93.1 | Very high | 123 Ų | 123 | 55.8 Ų | 55.8 | 54% | 0.535 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61 | -49.4 | 170.4 | 177.8 | 169.2 | -177.8 | -177.8 | 0 | 111.6 | I196 F198 F202 D204 | I196-K200 VanDerWaalsContact O-CB 3.25Å; I196-K200 WeakPolarHBondContact O-CB 3.3Å; I196-K200 PolarHBondContact O-N 3.28Å; F198-K200 VanDerWaalsContact C-N 3.26Å; F198-K200 PolarHBondContact O-N 3.45Å; K200-F202 VanDerWaalsContact C-N 3.28Å; K200-F202 PolarHBondContact O-N 3.03Å; K200-D204 VanDerWaalsContact O-CB 3.24Å; K200-D204 WeakPolarHBondContact O-CB 3.37Å; K200-D204 PolarHBondContact O-N 2.91Å |
| 201 | T | 95.2 | Very high | 91.9 | Very high | 60 Ų | 60 | 65.9 Ų | 65.9 | 37% | 0.368 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.6 | -28.9 | -174.7 | -53.5 | 0 | 0 | 0 | 0 | 113 | L85 K197 F198 | L85-T201 HydrophobicContact CD1-CG2 4.26Å; K197-T201 WeakPolarHBondContact O-CB 3.46Å; K197-T201 PolarHBondContact O-N 3.4Å; K197-T201 VanDerWaalsContact O-N 3.08Å; K197-T201 PolarHBondContact O-OG1 3.45Å; F198-T201 CarbonylContact O-C 3.6Å; F198-T201 WeakPolarHBondContact O-CA 3.4Å; F198-T201 PolarHBondContact O-N 3.3Å |
| 202 | F | 93.4 | Very high | 91.4 | Very high | 10 Ų | 10 | 68 Ų | 68 | 4% | 0.044 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -93.8 | -49 | -178.1 | -177.7 | -95 | 0 | 0 | 0 | 114.1 | L78 Q82 L85 M93 I96 F198 K200 A205 | L78-F202 HydrophobicContact CD2-CZ 4.04Å; Q82-F202 HydrophobicContact CB-CD2 4.22Å; Q82-F202 HydrophobicContact CB-CE2 3.68Å; Q82-F202 HydrophobicContact CB-CZ 4.15Å; Q82-F202 HydrophobicContact CG-CD2 4.09Å; Q82-F202 HydrophobicContact CG-CE2 3.91Å; Q82-F202 HydrophobicContact CG-CZ 4.23Å; Q82-F202 WeakPolarHBondContact CG-O 3.41Å; Q82-F202 PolarHBondContact NE2-O 3.49Å; L85-F202 HydrophobicContact CB-CD2 4.06Å; L85-F202 HydrophobicContact CD1-CB 4.16Å; L85-F202 HydrophobicContact CD1-CD2 3.94Å; M93-F202 HydrophobicContact CE-CE2 4.32Å; M93-F202 HydrophobicContact CE-CZ 3.82Å; M93-F202 HydrophobicContact SD-CD2 4.39Å; M93-F202 HydrophobicContact SD-CE1 4.39Å; M93-F202 HydrophobicContact SD-CE2 3.56Å; M93-F202 VanDerWaalsContact SD-CE2 3.56Å; M93-F202 HydrophobicContact SD-CZ 3.56Å; M93-F202 VanDerWaalsContact SD-CZ 3.56Å; I96-F202 HydrophobicContact CD1-CD1 4.49Å; F198-F202 HydrophobicContact CD1-CB 4Å; F198-F202 HydrophobicContact CE1-CB 3.58Å; F198-F202 HydrophobicContact CE1-CD2 4.14Å; F198-F202 AromaticContact CE1-CG 3.92Å; F198-F202 HydrophobicContact CE1-CG 3.92Å; F198-F202 HydrophobicContact CZ-CB 4.31Å; F198-F202 HydrophobicContact CZ-CD2 4.41Å; F198-F202 WeakPolarHBondContact O-CB 3.31Å; F198-F202 PolarHBondContact O-N 2.99Å; K200-F202 VanDerWaalsContact C-N 3.28Å; K200-F202 PolarHBondContact O-N 3.03Å; F202-A205 WeakPolarHBondContact O-CB 3.43Å |
| 203 | I | 93.7 | Very high | 90.9 | Very high | 32 Ų | 32 | 68.4 Ų | 68.4 | 16% | 0.164 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.4 | -47.1 | -176.1 | -58.1 | -66.7 | 0 | 0 | 0 | 110.6 | V150 A199 A205 | V150-I203 HydrophobicContact CG1-CG1 4.49Å; V150-I203 HydrophobicContact CG2-CD1 3.97Å; V150-I203 HydrophobicContact CG2-CG1 4.42Å; A199-I203 VanDerWaalsContact O-CB 3.26Å; A199-I203 WeakPolarHBondContact O-CB 3.38Å; A199-I203 WeakPolarHBondContact O-CG1 3.4Å; A199-I203 PolarHBondContact O-N 2.99Å; I203-A205 PolarHBondContact O-N 3.17Å; I203-A205 VanDerWaalsContact O-N 3.07Å |
| 204 | D | 94.8 | Very high | 90.6 | Very high | 22 Ų | 22 | 69.4 Ų | 69.4 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -70.3 | -5.9 | -179.3 | -61 | -1.1 | 0 | 0 | 0 | 112.7 | K200 K206 E207 L219 N222 R226 | K200-D204 VanDerWaalsContact O-CB 3.24Å; K200-D204 WeakPolarHBondContact O-CB 3.37Å; K200-D204 PolarHBondContact O-N 2.91Å; D204-K206 PolarHBondContact O-N 3.19Å; D204-E207 PolarHBondContact O-N 3.04Å; D204-L219 HydrophobicContact CB-CD2 3.43Å; D204-L219 VanDerWaalsContact CB-CD2 3.43Å; D204-N222 PolarHBondContact OD1-ND2 2.98Å; D204-R226 VanDerWaalsContact CG-NH2 3.34Å; D204-R226 IonicContact OD1-CZ 3.28Å; D204-R226 IonicContact OD1-NH1 2.77Å; D204-R226 PolarHBondContact OD1-NH1 3.16Å; D204-R226 IonicContact OD1-NH2 3.92Å; D204-R226 PolarHBondContact OD1-NH2 2.84Å; D204-R226 IonicContact OD2-CZ 2.72Å; D204-R226 IonicContact OD2-NH1 3.94Å; D204-R226 IonicContact OD2-NH2 3.28Å; D204-R226 PolarHBondContact OD2-NH2 3.27Å |
| 205 | A | 92.5 | Very high | 90.4 | Very high | 22 Ų | 22 | 66.9 Ų | 66.9 | 18% | 0.182 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -66.7 | -18.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K81 Q82 F202 I203 | K81-A205 HydrophobicContact CB-CB 4.25Å; K81-A205 HydrophobicContact CD-CB 3.87Å; K81-A205 HydrophobicContact CG-CB 4Å; Q82-A205 HydrophobicContact CG-CB 3.94Å; F202-A205 WeakPolarHBondContact O-CB 3.43Å; I203-A205 PolarHBondContact O-N 3.17Å; I203-A205 VanDerWaalsContact O-N 3.07Å |
| 206 | K | 88.3 | Confident | 90.3 | Very high | 103 Ų | 103 | 68.1 Ų | 68.1 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -83.6 | -28.7 | 175.9 | -176.4 | 172.7 | 177.9 | 176.3 | 0 | 112.5 | V79 D204 | V79-K206 HydrophobicContact CG1-CB 4.33Å; V79-K206 HydrophobicContact CG1-CG 4.08Å; D204-K206 PolarHBondContact O-N 3.19Å |
| 207 | E | 90.6 | Very high | 90.2 | Very high | 27 Ų | 27 | 66.4 Ų | 66.4 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | trans | -81.5 | 133.6 | -169.8 | -50.7 | -52.3 | 138.5 | 0 | 0 | 111.7 | D204 A215 N218 L219 | D204-E207 PolarHBondContact O-N 3.04Å; E207-A215 HydrophobicContact CB-CB 4.21Å; E207-N218 HydrophobicContact CG-CB 4.03Å; E207-N218 WeakPolarHBondContact OE2-CB 3.29Å; E207-N218 PolarHBondContact OE2-ND2 3.42Å; E207-L219 HydrophobicContact CB-CD1 4.34Å; E207-L219 HydrophobicContact CB-CD2 3.86Å; E207-L219 HydrophobicContact CB-CG 3.87Å; E207-L219 HydrophobicContact CG-CD2 4.17Å; E207-L219 HydrophobicContact CG-CG 4.28Å | ||
| 208 | R | 85.9 | Confident | 90.1 | Very high | 205 Ų | 205 | 59.3 Ų | 59.3 | 77% | 0.774 | 27% | 0.274 | S | S | * | . | trans | -122 | 89 | -179.1 | -66.3 | -175.1 | -180 | -169 | 0.6 | 110.2 | I210 | R208-I210 PolarHBondContact O-N 3.04Š| ||
| 209 | P | 77.9 | Confident | 90.1 | Very high | 51 Ų | 51 | 60.3 Ų | 60.3 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | trans | -70.5 | -5.4 | -166.9 | 26.6 | -35.2 | 0 | 0 | 0 | 116.2 | R211 L216 L219 | P209-R211 PolarHBondContact O-N 3.41Å; P209-L216 HydrophobicContact CB-CD2 3.6Å; P209-L216 HydrophobicContact CB-CG 3.88Å; P209-L219 HydrophobicContact CB-CD1 3.8Å; P209-L219 HydrophobicContact CG-CD1 3.91Å | ||
| 210 | I | 77.3 | Confident | 90.1 | Very high | 153 Ų | 153 | 61.5 Ų | 61.5 | 79% | 0.785 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -72.9 | 103.2 | -173.6 | -59.5 | 175.9 | 0 | 0 | 0 | 109.3 | R208 D212 | R208-I210 PolarHBondContact O-N 3.04Å; I210-D212 PolarHBondContact O-N 3.46Å |
| 211 | R | 72.8 | Confident | 90.2 | Very high | 227 Ų | 227 | 55.7 Ų | 55.7 | 86% | 0.857 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 62.2 | 15.2 | -178.3 | -47.8 | 179.1 | 99.4 | -178.6 | 6.2 | 114.6 | P209 | P209-R211 PolarHBondContact O-N 3.41Š|
| 212 | D | 85.8 | Confident | 90.3 | Very high | 69 Ų | 69 | 52.8 Ų | 52.8 | 37% | 0.369 | 24% | 0.243 | S | C | . | . | trans | -111.4 | 107.6 | 172.1 | 179.1 | 4.4 | 0 | 0 | 0 | 110.3 | I210 R214 A215 L216 | I210-D212 PolarHBondContact O-N 3.46Å; D212-R214 VanDerWaalsContact C-N 3.34Å; D212-R214 WeakPolarHBondContact OD1-CA 3.41Å; D212-R214 WeakPolarHBondContact OD1-CB 3.37Å; D212-R214 PolarHBondContact OD1-N 3.17Å; D212-A215 HydrophobicContact CB-CB 4.02Å; D212-A215 PolarHBondContact OD1-N 3.33Å; D212-A215 WeakPolarHBondContact OD2-CB 3.44Å; D212-L216 PolarHBondContact O-N 3.45Å | ||
| 213 | G | 88.3 | Confident | 90.5 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.1 | -35.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A215 L216 M217 M277 F302 | G213-A215 PolarHBondContact O-N 3.06Å; G213-L216 WeakPolarHBondContact O-CB 3.37Å; G213-L216 PolarHBondContact O-N 3.43Å; G213-L216 VanDerWaalsContact O-N 3.12Å; G213-M217 PolarHBondContact O-N 2.93Å; G213-M277 WeakPolarHBondContact CA-SD 3.36Å; G213-F302 WeakPolarHBondContact O-CE2 3.48Å |
| 214 | R | 90.9 | Very high | 90.7 | Very high | 83 Ų | 83 | 56.7 Ų | 56.7 | 31% | 0.313 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 179.5 | -174.8 | 173 | -68.4 | 164.6 | -3.2 | 110.3 | L133 S135 D212 L216 M217 N218 E303 | L133-R214 PolarHBondContact O-NH1 2.88Å; L133-R214 PolarHBondContact O-NH2 3.36Å; S135-R214 PolarHBondContact OG-NE 2.99Å; S135-R214 PolarHBondContact OG-NH2 3.49Å; D212-R214 VanDerWaalsContact C-N 3.34Å; D212-R214 WeakPolarHBondContact OD1-CA 3.41Å; D212-R214 WeakPolarHBondContact OD1-CB 3.37Å; D212-R214 PolarHBondContact OD1-N 3.17Å; R214-L216 VanDerWaalsContact C-N 3.31Å; R214-L216 PolarHBondContact O-N 3.13Å; R214-M217 HydrophobicContact CG-CE 3.97Å; R214-M217 PolarHBondContact O-N 3.26Å; R214-N218 WeakPolarHBondContact O-CB 3.43Å; R214-N218 PolarHBondContact O-N 2.94Å; R214-N218 PolarHBondContact O-ND2 2.88Å; R214-N218 PolarHBondContact O-OD1 3.24Å; R214-E303 IonicContact CZ-OE1 3.84Å; R214-E303 IonicContact NH2-OE1 3.51Å; R214-E303 PolarHBondContact NH2-OE1 3.42Å |
| 215 | A | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -57.2 | -40.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E207 D212 G213 N218 L219 | E207-A215 HydrophobicContact CB-CB 4.21Å; D212-A215 HydrophobicContact CB-CB 4.02Å; D212-A215 PolarHBondContact OD1-N 3.33Å; D212-A215 WeakPolarHBondContact OD2-CB 3.44Å; G213-A215 PolarHBondContact O-N 3.06Å; A215-N218 PolarHBondContact O-N 3.26Å; A215-L219 WeakPolarHBondContact O-CB 3.37Å; A215-L219 WeakPolarHBondContact O-CG 3.42Å; A215-L219 PolarHBondContact O-N 2.8Å |
| 216 | L | 93.3 | Very high | 91.1 | Very high | 26 Ų | 26 | 55 Ų | 55 | 14% | 0.136 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | 176.4 | -74.1 | 164.5 | 0 | 0 | 0 | 113.1 | P209 D212 G213 R214 H220 M277 F284 | P209-L216 HydrophobicContact CB-CD2 3.6Å; P209-L216 HydrophobicContact CB-CG 3.88Å; D212-L216 PolarHBondContact O-N 3.45Å; G213-L216 WeakPolarHBondContact O-CB 3.37Å; G213-L216 PolarHBondContact O-N 3.43Å; G213-L216 VanDerWaalsContact O-N 3.12Å; R214-L216 VanDerWaalsContact C-N 3.31Å; R214-L216 PolarHBondContact O-N 3.13Å; L216-H220 WeakPolarHBondContact O-CB 3.46Å; L216-H220 PolarHBondContact O-N 2.9Å; L216-H220 VanDerWaalsContact O-N 3.09Å; L216-M277 HydrophobicContact CD1-CE 3.57Å; L216-M277 HydrophobicContact CD1-SD 3.94Å; L216-F284 HydrophobicContact CB-CD1 4.49Å |
| 217 | M | 95.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.6 | -46.3 | 171.5 | 164.8 | -163.9 | 81.1 | 0 | 0 | 111.3 | G213 R214 L219 H220 N221 V300 F302 | G213-M217 PolarHBondContact O-N 2.93Å; R214-M217 HydrophobicContact CG-CE 3.97Å; R214-M217 PolarHBondContact O-N 3.26Å; M217-L219 PolarHBondContact O-N 2.88Å; M217-H220 PolarHBondContact O-N 2.89Å; M217-N221 WeakPolarHBondContact CG-ND2 3.46Å; M217-N221 WeakPolarHBondContact O-CB 3.35Å; M217-N221 PolarHBondContact O-N 2.93Å; M217-N221 PolarHBondContact O-ND2 3.47Å; M217-V300 HydrophobicContact CB-CG2 4.32Å; M217-V300 HydrophobicContact CG-CG2 4.17Å; M217-V300 WeakPolarHBondContact CG-O 3.14Å; M217-F302 HydrophobicContact CB-CD2 3.99Å; M217-F302 HydrophobicContact CB-CE2 3.63Å; M217-F302 HydrophobicContact SD-CD2 4.09Å |
| 218 | N | 95.4 | Very high | 91.9 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.2 | -50.8 | 179.5 | -65.8 | -9.9 | 0 | 0 | 0 | 110.4 | Y143 E207 R214 A215 H220 N221 N222 | Y143-N218 HydrophobicContact CD1-CB 4.12Å; Y143-N218 WeakPolarHBondContact CD2-OD1 3.4Å; Y143-N218 HydrophobicContact CE1-CB 3.95Å; Y143-N218 WeakPolarHBondContact CE2-OD1 3.38Å; Y143-N218 HydrophobicContact CG-CB 4.48Å; Y143-N218 VanDerWaalsContact CZ-ND2 3.34Å; Y143-N218 VanDerWaalsContact CZ-OD1 3.29Å; Y143-N218 PolarHBondContact OH-ND2 2.98Å; Y143-N218 VanDerWaalsContact OH-ND2 3.09Å; E207-N218 HydrophobicContact CG-CB 4.03Å; E207-N218 WeakPolarHBondContact OE2-CB 3.29Å; E207-N218 PolarHBondContact OE2-ND2 3.42Å; R214-N218 WeakPolarHBondContact O-CB 3.43Å; R214-N218 PolarHBondContact O-N 2.94Å; R214-N218 PolarHBondContact O-ND2 2.88Å; R214-N218 PolarHBondContact O-OD1 3.24Å; A215-N218 PolarHBondContact O-N 3.26Å; N218-H220 VanDerWaalsContact C-N 3.31Å; N218-H220 PolarHBondContact O-N 3.35Å; N218-N221 PolarHBondContact O-N 2.84Å; N218-N222 WeakPolarHBondContact O-CB 3.43Å; N218-N222 PolarHBondContact O-N 2.92Å; N218-N222 PolarHBondContact O-ND2 2.82Å; N218-N222 PolarHBondContact O-OD1 3.16Å |
| 219 | L | 95.8 | Very high | 92.5 | Very high | 38 Ų | 38 | 41.7 Ų | 41.7 | 20% | 0.199 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.5 | -40.1 | 176.6 | -70.8 | 170.1 | 0 | 0 | 0 | 113.2 | D204 E207 P209 A215 M217 R223 | D204-L219 HydrophobicContact CB-CD2 3.43Å; D204-L219 VanDerWaalsContact CB-CD2 3.43Å; E207-L219 HydrophobicContact CB-CD1 4.34Å; E207-L219 HydrophobicContact CB-CD2 3.86Å; E207-L219 HydrophobicContact CB-CG 3.87Å; E207-L219 HydrophobicContact CG-CD2 4.17Å; E207-L219 HydrophobicContact CG-CG 4.28Å; P209-L219 HydrophobicContact CB-CD1 3.8Å; P209-L219 HydrophobicContact CG-CD1 3.91Å; A215-L219 WeakPolarHBondContact O-CB 3.37Å; A215-L219 WeakPolarHBondContact O-CG 3.42Å; A215-L219 PolarHBondContact O-N 2.8Å; M217-L219 PolarHBondContact O-N 2.88Å; L219-R223 WeakPolarHBondContact O-CB 3.4Å; L219-R223 PolarHBondContact O-N 2.88Å; L219-R223 VanDerWaalsContact O-N 3.07Å |
| 220 | H | 96.6 | Very high | 93.4 | Very high | 25 Ų | 25 | 44.1 Ų | 44.1 | 12% | 0.116 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.8 | -46.8 | 178.2 | 177.8 | 91 | 0 | 0 | 0 | 112.3 | L216 M217 N218 R223 C224 F284 T295 D298 V300 | L216-H220 WeakPolarHBondContact O-CB 3.46Å; L216-H220 PolarHBondContact O-N 2.9Å; L216-H220 VanDerWaalsContact O-N 3.09Å; M217-H220 PolarHBondContact O-N 2.89Å; N218-H220 VanDerWaalsContact C-N 3.31Å; N218-H220 PolarHBondContact O-N 3.35Å; H220-R223 WeakPolarHBondContact O-CB 3.25Å; H220-R223 PolarHBondContact O-N 2.7Å; H220-C224 PolarHBondContact O-N 3.33Å; H220-F284 HydrophobicContact CB-CE1 4.18Å; H220-F284 HydrophobicContact CB-CZ 4.08Å; H220-F284 AromaticContact CG-CZ 3.8Å; H220-F284 AromaticContact ND1-CZ 3.75Å; H220-T295 PolarHBondContact CE1-O 3.48Å; H220-D298 PolarHBondContact NE2-O 3.18Å; H220-V300 HydrophobicContact CB-CG2 4.49Å |
| 221 | N | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.9 | -41.8 | 179.5 | -69.3 | -30.9 | 0 | 0 | 0 | 111.5 | A140 A144 M217 N218 R223 C224 G225 L299 V300 | A140-N221 WeakPolarHBondContact CA-ND2 3.26Å; A140-N221 WeakPolarHBondContact CB-ND2 3.48Å; A144-N221 WeakPolarHBondContact CA-O 3.24Å; A144-N221 WeakPolarHBondContact CB-O 3.25Å; M217-N221 WeakPolarHBondContact CG-ND2 3.46Å; M217-N221 WeakPolarHBondContact O-CB 3.35Å; M217-N221 PolarHBondContact O-N 2.93Å; M217-N221 PolarHBondContact O-ND2 3.47Å; N218-N221 PolarHBondContact O-N 2.84Å; N221-R223 VanDerWaalsContact C-N 3.31Å; N221-R223 PolarHBondContact O-N 3.19Å; N221-C224 WeakPolarHBondContact O-CB 3.08Å; N221-C224 PolarHBondContact O-N 2.86Å; N221-G225 PolarHBondContact O-N 3.08Å; N221-L299 HydrophobicContact CB-CD2 4.19Å; N221-L299 WeakPolarHBondContact OD1-CA 3.18Å; N221-L299 WeakPolarHBondContact OD1-CD2 3.37Å; N221-V300 PolarHBondContact ND2-O 3.14Å; N221-V300 PolarHBondContact OD1-N 3.06Å |
| 222 | N | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -53.5 | -48.4 | 169.3 | -71.5 | -11.3 | 0 | 0 | 0 | 111.1 | Y143 D204 N218 G225 R226 | Y143-N222 WeakPolarHBondContact CB-OD1 3.43Å; Y143-N222 WeakPolarHBondContact CD1-OD1 3.28Å; Y143-N222 PolarHBondContact O-OD1 3.02Å; D204-N222 PolarHBondContact OD1-ND2 2.98Å; N218-N222 WeakPolarHBondContact O-CB 3.43Å; N218-N222 PolarHBondContact O-N 2.92Å; N218-N222 PolarHBondContact O-ND2 2.82Å; N218-N222 PolarHBondContact O-OD1 3.16Å; N222-G225 PolarHBondContact O-N 3.49Å; N222-R226 WeakPolarHBondContact O-CG 3.36Å; N222-R226 PolarHBondContact O-N 3.31Å |
| 223 | R | 97.8 | Very high | 95.9 | Very high | 124 Ų | 124 | 34.2 Ų | 34.2 | 47% | 0.468 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -58.2 | -49 | 176.6 | 176.8 | -168.3 | -178.3 | 156.6 | 8.1 | 111.2 | L219 H220 N221 G225 R226 T227 | L219-R223 WeakPolarHBondContact O-CB 3.4Å; L219-R223 PolarHBondContact O-N 2.88Å; L219-R223 VanDerWaalsContact O-N 3.07Å; H220-R223 WeakPolarHBondContact O-CB 3.25Å; H220-R223 PolarHBondContact O-N 2.7Å; N221-R223 VanDerWaalsContact C-N 3.31Å; N221-R223 PolarHBondContact O-N 3.19Å; R223-G225 VanDerWaalsContact C-N 3.3Å; R223-G225 PolarHBondContact O-N 2.91Å; R223-R226 PolarHBondContact O-N 2.87Å; R223-T227 PolarHBondContact O-N 3.08Å; R223-T227 PolarHBondContact O-OG1 3.47Å |
| 224 | C | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55 | -47.5 | 178.8 | -177.2 | 0 | 0 | 0 | 0 | 111 | H220 N221 T227 A228 L299 | H220-C224 PolarHBondContact O-N 3.33Å; N221-C224 WeakPolarHBondContact O-CB 3.08Å; N221-C224 PolarHBondContact O-N 2.86Å; C224-T227 WeakPolarHBondContact CA-OG1 3.42Å; C224-T227 PolarHBondContact O-N 2.73Å; C224-T227 PolarHBondContact O-OG1 2.96Å; C224-A228 PolarHBondContact O-N 2.91Å; C224-L299 HydrophobicContact CB-CD2 3.99Å |
| 225 | G | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -54.4 | -55.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A144 A148 N221 N222 R223 T227 A228 | A144-G225 WeakPolarHBondContact O-CA 3.28Å; A148-G225 WeakPolarHBondContact CB-O 3.19Å; N221-G225 PolarHBondContact O-N 3.08Å; N222-G225 PolarHBondContact O-N 3.49Å; R223-G225 VanDerWaalsContact C-N 3.3Å; R223-G225 PolarHBondContact O-N 2.91Å; G225-T227 VanDerWaalsContact C-N 3.28Å; G225-T227 PolarHBondContact O-N 3.06Å; G225-A228 WeakPolarHBondContact O-CB 3.32Å; G225-A228 PolarHBondContact O-N 3.25Å |
| 226 | R | 97.8 | Very high | 96.5 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 3% | 0.034 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.1 | -37.8 | 178 | -67.3 | -173.4 | -68.8 | -112.1 | 6.3 | 113 | S147 V151 I196 A199 D204 N222 R223 | S147-R226 WeakPolarHBondContact OG-CG 3.48Å; S147-R226 PolarHBondContact OG-NH1 3.02Å; V151-R226 HydrophobicContact CG2-CB 3.95Å; V151-R226 HydrophobicContact CG2-CG 3.61Å; I196-R226 WeakPolarHBondContact CD1-O 3.49Å; I196-R226 HydrophobicContact CG1-CB 4.29Å; I196-R226 HydrophobicContact CG2-CB 4.47Å; A199-R226 HydrophobicContact CB-CG 4.28Å; D204-R226 VanDerWaalsContact CG-NH2 3.34Å; D204-R226 IonicContact OD1-CZ 3.28Å; D204-R226 IonicContact OD1-NH1 2.77Å; D204-R226 PolarHBondContact OD1-NH1 3.16Å; D204-R226 IonicContact OD1-NH2 3.92Å; D204-R226 PolarHBondContact OD1-NH2 2.84Å; D204-R226 IonicContact OD2-CZ 2.72Å; D204-R226 IonicContact OD2-NH1 3.94Å; D204-R226 IonicContact OD2-NH2 3.28Å; D204-R226 PolarHBondContact OD2-NH2 3.27Å; N222-R226 WeakPolarHBondContact O-CG 3.36Å; N222-R226 PolarHBondContact O-N 3.31Å; R223-R226 PolarHBondContact O-N 2.87Å |
| 227 | T | 97.3 | Very high | 96.5 | Very high | 50 Ų | 50 | 40.8 Ų | 40.8 | 31% | 0.307 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -74.8 | -24.1 | 176.2 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | R223 C224 G225 R231 | R223-T227 PolarHBondContact O-N 3.08Å; R223-T227 PolarHBondContact O-OG1 3.47Å; C224-T227 WeakPolarHBondContact CA-OG1 3.42Å; C224-T227 PolarHBondContact O-N 2.73Å; C224-T227 PolarHBondContact O-OG1 2.96Å; G225-T227 VanDerWaalsContact C-N 3.28Å; G225-T227 PolarHBondContact O-N 3.06Å; T227-R231 PolarHBondContact O-N 2.67Å |
| 228 | A | 97.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | C224 G225 K230 R231 F232 T261 Y264 L265 | C224-A228 PolarHBondContact O-N 2.91Å; G225-A228 WeakPolarHBondContact O-CB 3.32Å; G225-A228 PolarHBondContact O-N 3.25Å; A228-K230 PolarHBondContact O-N 3.35Å; A228-R231 VanDerWaalsContact O-CB 3.28Å; A228-R231 WeakPolarHBondContact O-CB 3.35Å; A228-R231 PolarHBondContact O-N 2.75Å; A228-F232 WeakPolarHBondContact O-CD2 3.25Å; A228-F232 PolarHBondContact O-N 2.86Å; A228-T261 HydrophobicContact CB-CG2 3.91Å; A228-Y264 HydrophobicContact CB-CD1 3.72Å; A228-Y264 HydrophobicContact CB-CE1 3.94Å; A228-L265 HydrophobicContact CB-CD1 4.48Å; A228-L265 HydrophobicContact CB-CD2 3.98Å; A228-L265 HydrophobicContact CB-CG 4.16Å |
| 229 | V | 97.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.9 | -50.2 | 176.4 | -175.5 | 0 | 0 | 0 | 0 | 111.1 | A148 V151 Y152 V192 R231 F232 M233 L255 T261 | A148-V229 HydrophobicContact CB-CG2 3.77Å; A148-V229 WeakPolarHBondContact O-CG2 3.35Å; V151-V229 HydrophobicContact CB-CG2 4.23Å; V151-V229 HydrophobicContact CG1-CB 3.97Å; V151-V229 HydrophobicContact CG1-CG1 4Å; V151-V229 HydrophobicContact CG1-CG2 4.2Å; Y152-V229 HydrophobicContact CD2-CG1 4.17Å; V192-V229 HydrophobicContact CG2-CG1 4.05Å; V229-R231 PolarHBondContact O-N 3.04Å; V229-F232 PolarHBondContact O-N 3.43Å; V229-M233 PolarHBondContact O-N 2.9Å; V229-L255 HydrophobicContact CG1-CD2 3.62Å; V229-T261 HydrophobicContact CG2-CG2 4.11Å |
| 230 | K | 96.6 | Very high | 96.2 | Very high | 103 Ų | 103 | 52 Ų | 52 | 45% | 0.448 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63 | -23.7 | 177.9 | 178.9 | 168.9 | -178.1 | 173.7 | 0 | 113.5 | V192 N193 I196 A228 F232 | V192-K230 HydrophobicContact CG1-CB 4.05Å; V192-K230 HydrophobicContact CG1-CD 4.04Å; V192-K230 HydrophobicContact CG1-CG 3.9Å; V192-K230 HydrophobicContact CG2-CB 4.1Å; N193-K230 PolarHBondContact OD1-NZ 2.93Å; I196-K230 HydrophobicContact CD1-CB 3.78Å; I196-K230 HydrophobicContact CD1-CD 3.99Å; I196-K230 HydrophobicContact CD1-CG 4.5Å; A228-K230 PolarHBondContact O-N 3.35Å; K230-F232 VanDerWaalsContact C-N 3.3Å |
| 231 | R | 96.2 | Very high | 95.9 | Very high | 159 Ų | 159 | 51.5 Ų | 51.5 | 60% | 0.6 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -69.9 | -25.7 | 174.7 | -171.8 | -178.5 | 178.2 | 85.3 | 7.2 | 112.8 | T227 A228 V229 | T227-R231 PolarHBondContact O-N 2.67Å; A228-R231 VanDerWaalsContact O-CB 3.28Å; A228-R231 WeakPolarHBondContact O-CB 3.35Å; A228-R231 PolarHBondContact O-N 2.75Å; V229-R231 PolarHBondContact O-N 3.04Å |
| 232 | F | 96.6 | Very high | 95.6 | Very high | 43 Ų | 43 | 57.5 Ų | 57.5 | 19% | 0.189 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 17 | -178.5 | -58.6 | -68.6 | 0 | 0 | 0 | 113.7 | A228 V229 K230 N234 S256 K260 Y264 | A228-F232 WeakPolarHBondContact O-CD2 3.25Å; A228-F232 PolarHBondContact O-N 2.86Å; V229-F232 PolarHBondContact O-N 3.43Å; K230-F232 VanDerWaalsContact C-N 3.3Å; F232-N234 PolarHBondContact O-N 2.63Å; F232-S256 WeakPolarHBondContact O-CB 3.29Å; F232-S256 PolarHBondContact O-N 2.98Å; F232-S256 PolarHBondContact O-OG 3.45Å; F232-K260 HydrophobicContact CB-CB 4.42Å; F232-K260 HydrophobicContact CD1-CB 4.28Å; F232-K260 HydrophobicContact CG-CB 4.15Å; F232-Y264 VanDerWaalsContact CE2-CB 3.42Å; F232-Y264 HydrophobicContact CE2-CD1 4.1Å; F232-Y264 HydrophobicContact CE2-CD2 4.03Å; F232-Y264 AromaticContact CE2-CG 3.59Å; F232-Y264 HydrophobicContact CE2-CG 3.59Å; F232-Y264 AromaticContact CZ-CD2 3.71Å; F232-Y264 HydrophobicContact CZ-CD2 3.71Å; F232-Y264 AromaticContact CZ-CG 3.72Å; F232-Y264 HydrophobicContact CZ-CG 3.72Å |
| 233 | M | 95.9 | Very high | 95.2 | Very high | 38 Ų | 38 | 63.7 Ų | 63.7 | 19% | 0.187 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 126.5 | 159.4 | -69.2 | -95.6 | -71.9 | 0 | 0 | 108.9 | D190 V192 V229 M253 A254 L255 | D190-M233 HydrophobicContact CB-SD 4.23Å; D190-M233 WeakPolarHBondContact O-CE 3.4Å; V192-M233 HydrophobicContact CB-CE 4.24Å; V192-M233 HydrophobicContact CB-CG 4.4Å; V192-M233 HydrophobicContact CB-SD 3.7Å; V192-M233 HydrophobicContact CG1-CE 3.68Å; V192-M233 HydrophobicContact CG1-CG 4.01Å; V192-M233 HydrophobicContact CG1-SD 3.65Å; V192-M233 HydrophobicContact CG2-SD 4.37Å; V229-M233 PolarHBondContact O-N 2.9Å; M233-M253 HydrophobicContact CB-CE 3.89Å; M233-M253 HydrophobicContact CE-CB 3.7Å; M233-M253 HydrophobicContact CE-CE 4.36Å; M233-M253 HydrophobicContact CE-CG 4.35Å; M233-A254 CarbonylContact C-O 3.23Å; M233-A254 WeakPolarHBondContact CA-O 3.39Å; M233-L255 HydrophobicContact SD-CD2 4.41Å |
| 234 | N | 95.2 | Very high | 94.6 | Very high | 74 Ų | 74 | 60.5 Ų | 60.5 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 154 | 176.1 | -172.3 | 41.5 | 0 | 0 | 0 | 109.9 | F232 M253 A254 | F232-N234 PolarHBondContact O-N 2.63Å; N234-M253 CarbonylContact O-C 3.53Å; N234-M253 WeakPolarHBondContact O-CA 3.23Å; N234-M253 VanDerWaalsContact O-CE 3.32Å; N234-M253 WeakPolarHBondContact O-CE 3.44Å; N234-A254 PolarHBondContact N-O 2.95Å; N234-A254 PolarHBondContact O-N 2.87Å |
| 235 | M | 94.8 | Very high | 94.2 | Very high | 55 Ų | 55 | 62.7 Ų | 62.7 | 27% | 0.271 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.6 | 164.8 | -165.1 | 168.5 | 82.5 | 0 | 0 | 108.5 | D178 F183 W185 C251 W252 M253 | D178-M235 HydrophobicContact CB-CE 4.35Å; D178-M235 WeakPolarHBondContact OD2-CE 3.19Å; F183-M235 HydrophobicContact CD1-CE 4.32Å; F183-M235 HydrophobicContact CE1-CE 3.76Å; F183-M235 HydrophobicContact CE1-SD 4.19Å; F183-M235 HydrophobicContact CE2-CE 4.36Å; F183-M235 HydrophobicContact CE2-SD 3.98Å; F183-M235 HydrophobicContact CZ-CE 3.77Å; F183-M235 HydrophobicContact CZ-SD 3.57Å; F183-M235 VanDerWaalsContact CZ-SD 3.57Å; W185-M235 HydrophobicContact CH2-CG 4.5Å; W185-M235 HydrophobicContact CH2-SD 3.71Å; W185-M235 HydrophobicContact CZ2-SD 4.49Å; W185-M235 HydrophobicContact CZ3-CG 4.44Å; W185-M235 HydrophobicContact CZ3-SD 4.11Å; M235-C251 HydrophobicContact CE-CB 4.45Å; M235-C251 HydrophobicContact CG-CB 4.1Å; M235-C251 HydrophobicContact SD-CB 4.28Å; M235-W252 WeakPolarHBondContact CA-O 3.28Å; M235-M253 HydrophobicContact CB-CE 4.49Å; M235-M253 HydrophobicContact CB-SD 3.93Å; M235-M253 HydrophobicContact CG-SD 4.08Å |
| 236 | E | 94.7 | Very high | 93.8 | Very high | 79 Ų | 79 | 66.4 Ų | 66.4 | 37% | 0.369 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 147.2 | 176.3 | -66.2 | -174.7 | 161.8 | 0 | 0 | 109.2 | C251 W252 A254 | E236-C251 CarbonylContact O-C 3.39Å; E236-C251 WeakPolarHBondContact O-CA 3.39Å; E236-C251 VanDerWaalsContact O-CB 3.26Å; E236-C251 WeakPolarHBondContact O-CB 3.33Å; E236-W252 HydrophobicContact CB-CD2 4.36Å; E236-W252 HydrophobicContact CB-CZ2 3.74Å; E236-W252 PolarHBondContact N-O 2.81Å; E236-W252 PolarHBondContact O-N 3.29Å; E236-W252 PolarHBondContact OE2-NE1 2.9Å; E236-A254 HydrophobicContact CG-CB 3.93Å; E236-A254 WeakPolarHBondContact OE2-CB 3.24Å |
| 237 | C | 94.3 | Very high | 93.3 | Very high | 50 Ų | 50 | 71.8 Ų | 71.8 | 34% | 0.338 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 141.5 | -177.8 | -59.2 | 0 | 0 | 0 | 0 | 111 | T250 C251 | C237-T250 CarbonylContact C-O 3.5Å; C237-T250 VanDerWaalsContact CA-O 3.24Å; C237-T250 WeakPolarHBondContact CA-O 3.47Å; C237-C251 HydrophobicContact CB-CB 4.06Å; C237-C251 WeakPolarHBondContact CB-SG 3.17Å; C237-C251 WeakPolarHBondContact SG-CB 3.39Å; C237-C251 CovalentContact SG-SG 2.04Å; C237-C251 PolarHBondContact SG-SG 3.07Å |
| 238 | K | 94.2 | Very high | 93 | Very high | 130 Ų | 130 | 73.6 Ų | 73.6 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 134.5 | 162.4 | -86.8 | 156.9 | -173.5 | 168.5 | 0 | 109.3 | H240 R249 T250 W252 | K238-H240 PolarHBondContact O-CD2 3.5Å; K238-R249 CarbonylContact O-C 3.57Å; K238-R249 WeakPolarHBondContact O-CA 3.43Å; K238-R249 VanDerWaalsContact O-CB 3.3Å; K238-R249 WeakPolarHBondContact O-CB 3.48Å; K238-T250 PolarHBondContact N-O 2.72Å; K238-T250 PolarHBondContact O-N 3.49Å; K238-W252 HydrophobicContact CB-CH2 4.32Å; K238-W252 HydrophobicContact CB-CZ3 4.3Å; K238-W252 HydrophobicContact CD-CH2 3.63Å; K238-W252 HydrophobicContact CD-CZ3 4Å; K238-W252 HydrophobicContact CG-CH2 3.8Å; K238-W252 HydrophobicContact CG-CZ3 4.24Å |
| 239 | C | 93.8 | Very high | 92.9 | Very high | 48 Ų | 48 | 74.1 Ų | 74.1 | 32% | 0.324 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 141.2 | 174.5 | -60.4 | 0 | 0 | 0 | 0 | 110.1 | C246 | C239-C246 HydrophobicContact CB-CB 3.88Å; C239-C246 WeakPolarHBondContact CB-SG 3.4Å; C239-C246 VanDerWaalsContact SG-CA 3.56Å; C239-C246 WeakPolarHBondContact SG-CB 3.32Å; C239-C246 CovalentContact SG-SG 2.04Å; C239-C246 PolarHBondContact SG-SG 3.29Å |
| 240 | H | 91.3 | Very high | 92.8 | Very high | 100 Ų | 100 | 75.8 Ų | 75.8 | 46% | 0.463 | 42% | 0.424 | S | S | . | . | trans | -130.9 | 4.3 | -170.6 | -60 | -66.4 | 0 | 0 | 0 | 113.4 | K238 L248 T250 | K238-H240 PolarHBondContact O-CD2 3.5Å; H240-L248 HydrophobicContact CB-CD2 4.24Å; H240-L248 HydrophobicContact CB-CG 4.28Å; H240-L248 PolarHBondContact N-O 3.32Å; H240-T250 PolarHBondContact CD2-OG1 3.34Å; H240-T250 WeakPolarHBondContact NE2-CB 3.36Å; H240-T250 PolarHBondContact NE2-OG1 3.47Å | ||
| 241 | G | 89.3 | Confident | 92.8 | Very high | 15 Ų | 15 | 70.9 Ų | 70.9 | 16% | 0.155 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -73 | 164.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S243 G244 S245 | G241-S243 PolarHBondContact O-N 3.12Å; G241-G244 PolarHBondContact O-N 3.23Å; G241-S245 VanDerWaalsContact C-OG 3.26Å; G241-S245 WeakPolarHBondContact CA-O 3.36Å; G241-S245 WeakPolarHBondContact CA-OG 3.4Å; G241-S245 PolarHBondContact N-O 3.42Å; G241-S245 PolarHBondContact O-N 2.89Å |
| 242 | V | 92.8 | Very high | 92.8 | Very high | 126 Ų | 126 | 65.3 Ų | 65.3 | 76% | 0.764 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -52.1 | 137.6 | 179.5 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | G244 S245 | V242-G244 PolarHBondContact O-N 3.4Å; V242-G244 VanDerWaalsContact O-N 3.15Å; V242-S245 PolarHBondContact N-OG 3.17Å; V242-S245 WeakPolarHBondContact O-CB 3.37Å; V242-S245 PolarHBondContact O-N 3.46Å; V242-S245 VanDerWaalsContact O-N 3.1Å; V242-S245 PolarHBondContact O-OG 3.22Å |
| 243 | S | 88.2 | Confident | 92.8 | Very high | 130 Ų | 130 | 64.7 Ų | 64.7 | 91% | 0.909 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | 53.8 | 28.5 | -176.6 | -54.6 | 0 | 0 | 0 | 0 | 115 | G241 | G241-S243 PolarHBondContact O-N 3.12Š|
| 244 | G | 85.3 | Confident | 92.9 | Very high | 57 Ų | 57 | 63.2 Ų | 63.2 | 59% | 0.588 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | 82.7 | 10.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G241 V242 | G241-G244 PolarHBondContact O-N 3.23Å; V242-G244 PolarHBondContact O-N 3.4Å; V242-G244 VanDerWaalsContact O-N 3.15Å |
| 245 | S | 89.6 | Confident | 93 | Very high | 46 Ų | 46 | 60.8 Ų | 60.8 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | trans | -64 | 147 | 177.8 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | G241 V242 T247 | G241-S245 VanDerWaalsContact C-OG 3.26Å; G241-S245 WeakPolarHBondContact CA-O 3.36Å; G241-S245 WeakPolarHBondContact CA-OG 3.4Å; G241-S245 PolarHBondContact N-O 3.42Å; G241-S245 PolarHBondContact O-N 2.89Å; V242-S245 PolarHBondContact N-OG 3.17Å; V242-S245 WeakPolarHBondContact O-CB 3.37Å; V242-S245 PolarHBondContact O-N 3.46Å; V242-S245 VanDerWaalsContact O-N 3.1Å; V242-S245 PolarHBondContact O-OG 3.22Å; S245-T247 VanDerWaalsContact C-N 3.31Å; S245-T247 PolarHBondContact O-N 3.42Å | ||
| 246 | C | 90.4 | Very high | 93.1 | Very high | 78 Ų | 78 | 58.9 Ų | 58.9 | 53% | 0.527 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 22.7 | -177.3 | -65.3 | 0 | 0 | 0 | 0 | 114.2 | C239 L248 | C239-C246 HydrophobicContact CB-CB 3.88Å; C239-C246 WeakPolarHBondContact CB-SG 3.4Å; C239-C246 VanDerWaalsContact SG-CA 3.56Å; C239-C246 WeakPolarHBondContact SG-CB 3.32Å; C239-C246 CovalentContact SG-SG 2.04Å; C239-C246 PolarHBondContact SG-SG 3.29Å; C246-L248 VanDerWaalsContact C-N 3.35Å |
| 247 | T | 88.3 | Confident | 93.2 | Very high | 122 Ų | 122 | 59.9 Ų | 59.9 | 75% | 0.748 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -36.3 | 176.4 | 46.9 | 0 | 0 | 0 | 0 | 112.5 | S245 | S245-T247 VanDerWaalsContact C-N 3.31Å; S245-T247 PolarHBondContact O-N 3.42Å |
| 248 | L | 91 | Very high | 93.4 | Very high | 89 Ų | 89 | 57.7 Ų | 57.7 | 47% | 0.466 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -113.6 | 134.7 | 162.8 | -178.5 | 64.4 | 0 | 0 | 0 | 108.5 | H240 C246 | H240-L248 HydrophobicContact CB-CD2 4.24Å; H240-L248 HydrophobicContact CB-CG 4.28Å; H240-L248 PolarHBondContact N-O 3.32Å; C246-L248 VanDerWaalsContact C-N 3.35Å |
| 249 | R | 94.4 | Very high | 93.5 | Very high | 12 Ų | 12 | 55.4 Ų | 55.4 | 5% | 0.045 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 144.5 | 178.2 | 60.8 | -179 | 172.5 | 140.3 | -2.8 | 111.8 | D178 G181 D182 F183 D184 K238 | D178-R249 VanDerWaalsContact CG-NH2 3.32Å; D178-R249 IonicContact OD1-CZ 3.54Å; D178-R249 IonicContact OD1-NH1 2.73Å; D178-R249 PolarHBondContact OD1-NH1 3.22Å; D178-R249 IonicContact OD1-NH2 2.8Å; D178-R249 PolarHBondContact OD1-NH2 3.46Å; D178-R249 IonicContact OD2-CZ 2.88Å; D178-R249 IonicContact OD2-NH1 2.68Å; D178-R249 PolarHBondContact OD2-NH1 3.33Å; D178-R249 IonicContact OD2-NH2 3.5Å; G181-R249 PolarHBondContact O-NH2 2.98Å; D182-R249 PolarHBondContact O-NE 2.82Å; D182-R249 PolarHBondContact O-NH2 3.23Å; D182-R249 VanDerWaalsContact O-NH2 3.08Å; F183-R249 HydrophobicContact CB-CG 3.69Å; D184-R249 PolarHBondContact N-O 3.2Å; D184-R249 VanDerWaalsContact N-O 3.14Å; K238-R249 CarbonylContact O-C 3.57Å; K238-R249 WeakPolarHBondContact O-CA 3.43Å; K238-R249 VanDerWaalsContact O-CB 3.3Å; K238-R249 WeakPolarHBondContact O-CB 3.48Å |
| 250 | T | 95.3 | Very high | 93.8 | Very high | 38 Ų | 38 | 57.6 Ų | 57.6 | 23% | 0.233 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130.6 | 173.8 | -50.3 | 0 | 0 | 0 | 0 | 108.5 | D184 G186 C237 K238 H240 | D184-T250 CarbonylContact O-C 3.59Å; D184-T250 WeakPolarHBondContact O-CA 3.39Å; G186-T250 VanDerWaalsContact CA-CG2 3.45Å; C237-T250 CarbonylContact C-O 3.5Å; C237-T250 VanDerWaalsContact CA-O 3.24Å; C237-T250 WeakPolarHBondContact CA-O 3.47Å; K238-T250 PolarHBondContact N-O 2.72Å; K238-T250 PolarHBondContact O-N 3.49Å; H240-T250 PolarHBondContact CD2-OG1 3.34Å; H240-T250 WeakPolarHBondContact NE2-CB 3.36Å; H240-T250 PolarHBondContact NE2-OG1 3.47Å |
| 251 | C | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 153.6 | -178.6 | -51.7 | 0 | 0 | 0 | 0 | 113.4 | F183 D184 W185 G186 M235 E236 C237 | F183-C251 HydrophobicContact CD2-CB 3.55Å; F183-C251 HydrophobicContact CE2-CB 3.84Å; F183-C251 HydrophobicContact CG-CB 4.24Å; D184-C251 PolarHBondContact O-N 2.89Å; W185-C251 WeakPolarHBondContact CA-O 3.12Å; G186-C251 PolarHBondContact N-O 2.89Å; G186-C251 VanDerWaalsContact N-O 3.09Å; M235-C251 HydrophobicContact CE-CB 4.45Å; M235-C251 HydrophobicContact CG-CB 4.1Å; M235-C251 HydrophobicContact SD-CB 4.28Å; E236-C251 CarbonylContact O-C 3.39Å; E236-C251 WeakPolarHBondContact O-CA 3.39Å; E236-C251 VanDerWaalsContact O-CB 3.26Å; E236-C251 WeakPolarHBondContact O-CB 3.33Å; C237-C251 HydrophobicContact CB-CB 4.06Å; C237-C251 WeakPolarHBondContact CB-SG 3.17Å; C237-C251 WeakPolarHBondContact SG-CB 3.39Å; C237-C251 CovalentContact SG-SG 2.04Å; C237-C251 PolarHBondContact SG-SG 3.07Å |
| 252 | W | 96.9 | Very high | 94.5 | Very high | 41 Ų | 41 | 52.2 Ų | 52.2 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 159.3 | 172.7 | 56 | 95.5 | 0 | 0 | 0 | 110.5 | S189 M235 E236 K238 | S189-W252 WeakPolarHBondContact OG-CA 3.43Å; M235-W252 WeakPolarHBondContact CA-O 3.28Å; E236-W252 HydrophobicContact CB-CD2 4.36Å; E236-W252 HydrophobicContact CB-CZ2 3.74Å; E236-W252 PolarHBondContact N-O 2.81Å; E236-W252 PolarHBondContact O-N 3.29Å; E236-W252 PolarHBondContact OE2-NE1 2.9Å; K238-W252 HydrophobicContact CB-CH2 4.32Å; K238-W252 HydrophobicContact CB-CZ3 4.3Å; K238-W252 HydrophobicContact CD-CH2 3.63Å; K238-W252 HydrophobicContact CD-CZ3 4Å; K238-W252 HydrophobicContact CG-CH2 3.8Å; K238-W252 HydrophobicContact CG-CZ3 4.24Å |
| 253 | M | 96.9 | Very high | 94.8 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 15% | 0.153 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128.4 | 166 | -64.9 | -55.4 | -52.5 | 0 | 0 | 109.5 | W185 S189 D190 M233 N234 M235 | W185-M253 HydrophobicContact CH2-CG 4.07Å; W185-M253 HydrophobicContact CH2-SD 3.96Å; W185-M253 HydrophobicContact CZ3-CG 3.9Å; W185-M253 HydrophobicContact CZ3-SD 4.16Å; S189-M253 CarbonylContact C-O 3.51Å; S189-M253 WeakPolarHBondContact CA-O 3.46Å; S189-M253 PolarHBondContact OG-N 2.94Å; D190-M253 PolarHBondContact N-O 2.95Å; M233-M253 HydrophobicContact CB-CE 3.89Å; M233-M253 HydrophobicContact CE-CB 3.7Å; M233-M253 HydrophobicContact CE-CE 4.36Å; M233-M253 HydrophobicContact CE-CG 4.35Å; N234-M253 CarbonylContact O-C 3.53Å; N234-M253 WeakPolarHBondContact O-CA 3.23Å; N234-M253 VanDerWaalsContact O-CE 3.32Å; N234-M253 WeakPolarHBondContact O-CE 3.44Å; M235-M253 HydrophobicContact CB-CE 4.49Å; M235-M253 HydrophobicContact CB-SD 3.93Å; M235-M253 HydrophobicContact CG-SD 4.08Å |
| 254 | A | 97.1 | Very high | 95.3 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 5% | 0.05 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 151.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D190 M233 N234 E236 S256 | D190-A254 VanDerWaalsContact OD2-CA 3.32Å; D190-A254 WeakPolarHBondContact OD2-CA 3.48Å; M233-A254 CarbonylContact C-O 3.23Å; M233-A254 WeakPolarHBondContact CA-O 3.39Å; N234-A254 PolarHBondContact N-O 2.95Å; N234-A254 PolarHBondContact O-N 2.87Å; E236-A254 HydrophobicContact CG-CB 3.93Å; E236-A254 WeakPolarHBondContact OE2-CB 3.24Å; A254-S256 PolarHBondContact O-N 2.76Å |
| 255 | L | 97.2 | Very high | 95.9 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 125.7 | 163.2 | -68.9 | 170.3 | 0 | 0 | 0 | 110.2 | Y152 T155 R156 D190 V229 M233 | Y152-L255 HydrophobicContact CD2-CB 4.36Å; Y152-L255 HydrophobicContact CD2-CD1 3.89Å; Y152-L255 HydrophobicContact CD2-CD2 4Å; Y152-L255 HydrophobicContact CD2-CG 4.32Å; Y152-L255 HydrophobicContact CE2-CB 3.87Å; Y152-L255 HydrophobicContact CE2-CD1 3.97Å; Y152-L255 HydrophobicContact CE2-CD2 4.36Å; Y152-L255 HydrophobicContact CE2-CG 4.3Å; Y152-L255 HydrophobicContact CG-CD1 4.4Å; T155-L255 HydrophobicContact CG2-CD1 3.93Å; T155-L255 HydrophobicContact CG2-CD2 4.01Å; T155-L255 HydrophobicContact CG2-CG 4.04Å; R156-L255 HydrophobicContact CB-CD1 4Å; D190-L255 HydrophobicContact CB-CG 4.21Å; D190-L255 WeakPolarHBondContact OD2-CG 3.49Å; D190-L255 PolarHBondContact OD2-N 2.91Å; V229-L255 HydrophobicContact CG1-CD2 3.62Å; M233-L255 HydrophobicContact SD-CD2 4.41Å |
| 256 | S | 96.9 | Very high | 96.3 | Very high | 14 Ų | 14 | 40 Ų | 40 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | trans | -69 | 151.4 | 160.2 | -71.2 | 0 | 0 | 0 | 0 | 111.1 | Y152 F232 A254 F258 K260 | Y152-S256 WeakPolarHBondContact CE2-O 3.45Å; F232-S256 WeakPolarHBondContact O-CB 3.29Å; F232-S256 PolarHBondContact O-N 2.98Å; F232-S256 PolarHBondContact O-OG 3.45Å; A254-S256 PolarHBondContact O-N 2.76Å; S256-F258 PolarHBondContact O-N 2.85Å; S256-K260 PolarHBondContact OG-NZ 3.23Å | ||
| 257 | D | 96.9 | Very high | 96.7 | Very high | 100 Ų | 100 | 43.2 Ų | 43.2 | 54% | 0.535 | 21% | 0.209 | S | C | . | . | trans | -31.8 | 126.2 | 163.8 | -173.7 | -33.3 | 0 | 0 | 0 | 112.9 | R259 K260 | D257-R259 PolarHBondContact O-N 2.72Å; D257-R259 VanDerWaalsContact O-N 3.07Å; D257-R259 WeakPolarHBondContact OD1-CB 3.47Å; D257-R259 PolarHBondContact OD1-N 2.89Å; D257-K260 PolarHBondContact O-N 3.2Å | ||
| 258 | F | 97.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.022 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.5 | -25.5 | -178 | -164.2 | -109.8 | 0 | 0 | 0 | 113.5 | W103 E106 I145 A148 Y152 S256 K260 T261 G262 | W103-F258 HydrophobicContact CB-CE1 3.68Å; W103-F258 HydrophobicContact CB-CZ 3.85Å; E106-F258 HydrophobicContact CB-CD1 3.77Å; E106-F258 HydrophobicContact CB-CE1 3.81Å; E106-F258 HydrophobicContact CG-CD1 3.77Å; E106-F258 HydrophobicContact CG-CE1 3.89Å; I145-F258 HydrophobicContact CD1-CE1 3.61Å; I145-F258 HydrophobicContact CD1-CZ 3.68Å; I145-F258 HydrophobicContact CG1-CE1 4.15Å; I145-F258 HydrophobicContact CG1-CZ 4.27Å; A148-F258 HydrophobicContact CB-CE2 4.09Å; A148-F258 HydrophobicContact CB-CZ 4.11Å; Y152-F258 HydrophobicContact CD1-CB 4.35Å; Y152-F258 AromaticContact CD1-CD2 3.93Å; Y152-F258 HydrophobicContact CD1-CD2 3.93Å; Y152-F258 HydrophobicContact CD1-CG 4.37Å; Y152-F258 HydrophobicContact CD2-CB 4.41Å; Y152-F258 AromaticContact CD2-CD2 3.67Å; Y152-F258 HydrophobicContact CD2-CD2 3.67Å; Y152-F258 HydrophobicContact CD2-CE2 4.5Å; Y152-F258 HydrophobicContact CE1-CB 3.99Å; Y152-F258 HydrophobicContact CE1-CD2 4.4Å; Y152-F258 HydrophobicContact CE1-CG 4.49Å; Y152-F258 HydrophobicContact CE2-CB 4.05Å; Y152-F258 HydrophobicContact CE2-CD2 4.16Å; Y152-F258 AromaticContact CG-CD2 3.53Å; Y152-F258 HydrophobicContact CG-CD2 3.53Å; Y152-F258 HydrophobicContact CG-CE2 4.13Å; Y152-F258 HydrophobicContact CG-CG 4.36Å; Y152-F258 PolarHBondContact OH-N 3.28Å; S256-F258 PolarHBondContact O-N 2.85Å; F258-K260 VanDerWaalsContact C-N 3.25Å; F258-K260 PolarHBondContact O-N 3.06Å; F258-T261 HydrophobicContact CE2-CG2 4.17Å; F258-T261 CarbonylContact O-C 3.6Å; F258-T261 WeakPolarHBondContact O-CA 3.39Å; F258-T261 WeakPolarHBondContact O-CB 3.36Å; F258-T261 PolarHBondContact O-N 2.88Å; F258-G262 PolarHBondContact O-N 3.33Å |
| 259 | R | 98.1 | Very high | 97.5 | Very high | 81 Ų | 81 | 36.3 Ų | 36.3 | 31% | 0.306 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -50.6 | -42.1 | 170.6 | 179.1 | 54.2 | 46.4 | 59.2 | 12.7 | 112.4 | E106 H109 D257 T261 G262 D263 | E106-R259 VanDerWaalsContact CD-NE 3.27Å; E106-R259 WeakPolarHBondContact OE1-CD 3.32Å; E106-R259 IonicContact OE1-CZ 3.61Å; E106-R259 IonicContact OE1-NE 2.85Å; E106-R259 PolarHBondContact OE1-NE 2.76Å; E106-R259 IonicContact OE2-CZ 2.91Å; E106-R259 IonicContact OE2-NE 2.79Å; E106-R259 PolarHBondContact OE2-NE 3.03Å; E106-R259 IonicContact OE2-NH2 2.85Å; E106-R259 PolarHBondContact OE2-NH2 3.36Å; H109-R259 VanDerWaalsContact CD2-CZ 3.4Å; H109-R259 PolarHBondContact CD2-NE 2.81Å; H109-R259 PolarHBondContact NE2-NH1 2.75Å; D257-R259 PolarHBondContact O-N 2.72Å; D257-R259 VanDerWaalsContact O-N 3.07Å; D257-R259 WeakPolarHBondContact OD1-CB 3.47Å; D257-R259 PolarHBondContact OD1-N 2.89Å; R259-T261 PolarHBondContact O-N 3.36Å; R259-G262 PolarHBondContact O-N 2.8Å; R259-G262 VanDerWaalsContact O-N 3.13Å; R259-D263 WeakPolarHBondContact CD-OD1 3.18Å; R259-D263 WeakPolarHBondContact O-CB 3.44Å; R259-D263 PolarHBondContact O-N 3.14Å |
| 260 | K | 98.2 | Very high | 97.5 | Very high | 95 Ų | 95 | 40.9 Ų | 40.9 | 41% | 0.413 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.3 | -34.5 | 177.9 | -58.1 | -169.9 | -158.5 | 166.1 | 0 | 112 | F232 S256 D257 F258 Y264 | F232-K260 HydrophobicContact CB-CB 4.42Å; F232-K260 HydrophobicContact CD1-CB 4.28Å; F232-K260 HydrophobicContact CG-CB 4.15Å; S256-K260 PolarHBondContact OG-NZ 3.23Å; D257-K260 PolarHBondContact O-N 3.2Å; F258-K260 VanDerWaalsContact C-N 3.25Å; F258-K260 PolarHBondContact O-N 3.06Å; K260-Y264 WeakPolarHBondContact O-CB 3.48Å; K260-Y264 PolarHBondContact O-N 2.97Å |
| 261 | T | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -73.7 | -43.4 | 175 | -62.7 | 0 | 0 | 0 | 0 | 111.1 | A148 A228 V229 F258 R259 Y264 L265 | A148-T261 HydrophobicContact CB-CG2 3.97Å; A228-T261 HydrophobicContact CB-CG2 3.91Å; V229-T261 HydrophobicContact CG2-CG2 4.11Å; F258-T261 HydrophobicContact CE2-CG2 4.17Å; F258-T261 CarbonylContact O-C 3.6Å; F258-T261 WeakPolarHBondContact O-CA 3.39Å; F258-T261 WeakPolarHBondContact O-CB 3.36Å; F258-T261 PolarHBondContact O-N 2.88Å; R259-T261 PolarHBondContact O-N 3.36Å; T261-Y264 PolarHBondContact O-N 3.21Å; T261-L265 HydrophobicContact CG2-CD1 4.08Å; T261-L265 WeakPolarHBondContact O-CG 3.43Å; T261-L265 PolarHBondContact O-N 3.48Å |
| 262 | G | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.8 | -52.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F258 R259 Y264 L265 R266 | F258-G262 PolarHBondContact O-N 3.33Å; R259-G262 PolarHBondContact O-N 2.8Å; R259-G262 VanDerWaalsContact O-N 3.13Å; G262-Y264 VanDerWaalsContact C-N 3.3Å; G262-Y264 PolarHBondContact O-N 2.92Å; G262-L265 PolarHBondContact O-N 3.27Å; G262-R266 VanDerWaalsContact O-CB 3.29Å; G262-R266 WeakPolarHBondContact O-CB 3.39Å; G262-R266 PolarHBondContact O-N 3.04Å |
| 263 | D | 98.6 | Very high | 97.5 | Very high | 54 Ų | 54 | 40.4 Ų | 40.4 | 29% | 0.289 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.4 | -38.5 | 178.1 | -66.9 | -30.3 | 0 | 0 | 0 | 112.4 | Q110 R259 R266 R267 | Q110-D263 PolarHBondContact NE2-OD1 3.37Å; R259-D263 WeakPolarHBondContact CD-OD1 3.18Å; R259-D263 WeakPolarHBondContact O-CB 3.44Å; R259-D263 PolarHBondContact O-N 3.14Å; D263-R266 PolarHBondContact O-N 3.08Å; D263-R267 WeakPolarHBondContact O-CG 3.17Å; D263-R267 PolarHBondContact O-N 3.03Å; D263-R267 PolarHBondContact O-NH1 2.99Å |
| 264 | Y | 98.6 | Very high | 97.4 | Very high | 26 Ų | 26 | 41.9 Ų | 41.9 | 10% | 0.102 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.4 | -48.3 | 176.1 | 175 | -96.5 | 0 | 0 | 0 | 111.9 | A228 F232 K260 T261 G262 R266 R267 K268 | A228-Y264 HydrophobicContact CB-CD1 3.72Å; A228-Y264 HydrophobicContact CB-CE1 3.94Å; F232-Y264 VanDerWaalsContact CE2-CB 3.42Å; F232-Y264 HydrophobicContact CE2-CD1 4.1Å; F232-Y264 HydrophobicContact CE2-CD2 4.03Å; F232-Y264 AromaticContact CE2-CG 3.59Å; F232-Y264 HydrophobicContact CE2-CG 3.59Å; F232-Y264 AromaticContact CZ-CD2 3.71Å; F232-Y264 HydrophobicContact CZ-CD2 3.71Å; F232-Y264 AromaticContact CZ-CG 3.72Å; F232-Y264 HydrophobicContact CZ-CG 3.72Å; K260-Y264 WeakPolarHBondContact O-CB 3.48Å; K260-Y264 PolarHBondContact O-N 2.97Å; T261-Y264 PolarHBondContact O-N 3.21Å; G262-Y264 VanDerWaalsContact C-N 3.3Å; G262-Y264 PolarHBondContact O-N 2.92Å; Y264-R266 PolarHBondContact O-N 3.34Å; Y264-R267 PolarHBondContact O-N 2.99Å; Y264-K268 HydrophobicContact CD1-CG 4.42Å; Y264-K268 HydrophobicContact CE1-CG 3.99Å; Y264-K268 WeakPolarHBondContact O-CG 3.49Å; Y264-K268 PolarHBondContact O-N 3.44Å; Y264-K268 WeakPolarHBondContact OH-CE 3.32Å |
| 265 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65 | -30.7 | 176.6 | -68.5 | 176.6 | 0 | 0 | 0 | 111.3 | F141 A144 I145 A148 A228 T261 G262 K268 Y269 | F141-L265 HydrophobicContact CD2-CB 4.1Å; F141-L265 HydrophobicContact CE2-CB 3.63Å; A144-L265 HydrophobicContact CB-CD1 4.14Å; A144-L265 HydrophobicContact CB-CD2 4.02Å; I145-L265 HydrophobicContact CB-CD1 4.3Å; I145-L265 HydrophobicContact CD1-CD1 3.85Å; A148-L265 HydrophobicContact CB-CD1 4.12Å; A228-L265 HydrophobicContact CB-CD1 4.48Å; A228-L265 HydrophobicContact CB-CD2 3.98Å; A228-L265 HydrophobicContact CB-CG 4.16Å; T261-L265 HydrophobicContact CG2-CD1 4.08Å; T261-L265 WeakPolarHBondContact O-CG 3.43Å; T261-L265 PolarHBondContact O-N 3.48Å; G262-L265 PolarHBondContact O-N 3.27Å; L265-K268 CarbonylContact O-C 3.59Å; L265-K268 PolarHBondContact O-N 2.95Å; L265-Y269 PolarHBondContact O-N 3.16Å |
| 266 | R | 98 | Very high | 97.1 | Very high | 22 Ų | 22 | 44.7 Ų | 44.7 | 8% | 0.083 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65 | -43.3 | 173.7 | -176.7 | 68.4 | -126 | -133.2 | -10.6 | 112 | Q110 H114 G262 D263 Y264 K268 Y269 N270 | Q110-R266 HydrophobicContact CG-CB 4.45Å; Q110-R266 WeakPolarHBondContact O-CD 3.28Å; Q110-R266 PolarHBondContact O-NH1 3.2Å; H114-R266 PolarHBondContact CD2-NH1 2.98Å; H114-R266 PolarHBondContact CE1-NH2 2.85Å; H114-R266 PolarHBondContact NE2-NH1 2.92Å; H114-R266 VanDerWaalsContact NE2-NH1 3.14Å; H114-R266 PolarHBondContact NE2-NH2 3.24Å; G262-R266 VanDerWaalsContact O-CB 3.29Å; G262-R266 WeakPolarHBondContact O-CB 3.39Å; G262-R266 PolarHBondContact O-N 3.04Å; D263-R266 PolarHBondContact O-N 3.08Å; Y264-R266 PolarHBondContact O-N 3.34Å; R266-K268 VanDerWaalsContact C-N 3.3Å; R266-K268 PolarHBondContact O-N 3.45Å; R266-Y269 PolarHBondContact O-N 3.48Å; R266-N270 PolarHBondContact NE-OD1 2.8Å; R266-N270 PolarHBondContact NH2-OD1 2.6Å; R266-N270 PolarHBondContact O-N 2.98Å; R266-N270 PolarHBondContact O-OD1 3.35Å |
| 267 | R | 98 | Very high | 96.8 | Very high | 147 Ų | 147 | 47 Ų | 47 | 56% | 0.555 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -63.1 | -36.5 | 170.6 | -71.1 | -174.8 | -65.8 | -84.1 | 4.7 | 111.7 | D263 Y264 N270 G271 | D263-R267 WeakPolarHBondContact O-CG 3.17Å; D263-R267 PolarHBondContact O-N 3.03Å; D263-R267 PolarHBondContact O-NH1 2.99Å; Y264-R267 PolarHBondContact O-N 2.99Å; R267-N270 PolarHBondContact O-N 3.13Å; R267-G271 PolarHBondContact O-N 2.98Å |
| 268 | K | 98.1 | Very high | 96.3 | Very high | 42 Ų | 42 | 44.4 Ų | 44.4 | 18% | 0.183 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.9 | -24.8 | 175.4 | -68.6 | -58 | -166.4 | 166.3 | 0 | 114.6 | Y264 L265 R266 G271 A272 N297 D298 L299 | Y264-K268 HydrophobicContact CD1-CG 4.42Å; Y264-K268 HydrophobicContact CE1-CG 3.99Å; Y264-K268 WeakPolarHBondContact O-CG 3.49Å; Y264-K268 PolarHBondContact O-N 3.44Å; Y264-K268 WeakPolarHBondContact OH-CE 3.32Å; L265-K268 CarbonylContact O-C 3.59Å; L265-K268 PolarHBondContact O-N 2.95Å; R266-K268 VanDerWaalsContact C-N 3.3Å; R266-K268 PolarHBondContact O-N 3.45Å; K268-G271 CarbonylContact O-C 3.54Å; K268-A272 WeakPolarHBondContact O-CA 3.35Å; K268-A272 PolarHBondContact O-N 2.91Å; K268-A272 VanDerWaalsContact O-N 3.09Å; K268-N297 VanDerWaalsContact CD-O 3.3Å; K268-N297 WeakPolarHBondContact CD-O 3.36Å; K268-N297 WeakPolarHBondContact CE-O 3.35Å; K268-N297 PolarHBondContact NZ-O 2.88Å; K268-D298 IonicContact NZ-OD1 3.93Å; K268-D298 PolarHBondContact NZ-OD1 2.81Å; K268-L299 HydrophobicContact CB-CD1 4.37Å; K268-L299 HydrophobicContact CB-CG 4.1Å |
| 269 | Y | 97.8 | Very high | 95.7 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 9% | 0.09 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.6 | -46.7 | 167.8 | 165 | -86.8 | 0 | 0 | 0 | 111.4 | F111 R137 E138 F141 L265 R266 G271 A272 | F111-Y269 HydrophobicContact CE1-CD1 4.27Å; F111-Y269 HydrophobicContact CE1-CD2 4.48Å; F111-Y269 AromaticContact CE1-CE1 3.77Å; F111-Y269 HydrophobicContact CE1-CE1 3.77Å; F111-Y269 AromaticContact CE1-CE2 3.95Å; F111-Y269 HydrophobicContact CE1-CE2 3.95Å; F111-Y269 AromaticContact CE1-CZ 3.59Å; F111-Y269 AromaticContact CZ-CD1 3.83Å; F111-Y269 HydrophobicContact CZ-CD1 3.83Å; F111-Y269 AromaticContact CZ-CD2 3.85Å; F111-Y269 HydrophobicContact CZ-CD2 3.85Å; F111-Y269 AromaticContact CZ-CE1 3.8Å; F111-Y269 HydrophobicContact CZ-CE1 3.8Å; F111-Y269 AromaticContact CZ-CE2 3.76Å; F111-Y269 HydrophobicContact CZ-CE2 3.76Å; F111-Y269 AromaticContact CZ-CG 3.87Å; F111-Y269 HydrophobicContact CZ-CG 3.87Å; F111-Y269 AromaticContact CZ-CZ 3.76Å; R137-Y269 VanDerWaalsContact C-CE2 3.49Å; R137-Y269 HydrophobicContact CB-CD2 3.94Å; R137-Y269 HydrophobicContact CB-CE2 3.5Å; R137-Y269 VanDerWaalsContact O-CD2 3.27Å; R137-Y269 WeakPolarHBondContact O-CD2 3.33Å; R137-Y269 WeakPolarHBondContact O-CE2 3.48Å; E138-Y269 HydrophobicContact CG-CE2 4.25Å; E138-Y269 PolarHBondContact OE1-OH 3.24Å; F141-Y269 HydrophobicContact CB-CD2 3.85Å; F141-Y269 HydrophobicContact CB-CG 4.45Å; L265-Y269 PolarHBondContact O-N 3.16Å; R266-Y269 PolarHBondContact O-N 3.48Å; Y269-G271 PolarHBondContact O-N 2.77Å; Y269-A272 VanDerWaalsContact O-CB 3.28Å; Y269-A272 WeakPolarHBondContact O-CB 3.07Å; Y269-A272 PolarHBondContact O-N 2.85Å; Y269-A272 VanDerWaalsContact O-N 3.14Å |
| 270 | N | 95.9 | Very high | 95 | Very high | 109 Ų | 109 | 55.2 Ų | 55.2 | 58% | 0.583 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -60.1 | -33.1 | 178.5 | -69 | -0.1 | 0 | 0 | 0 | 112.1 | R266 R267 | R266-N270 PolarHBondContact NE-OD1 2.8Å; R266-N270 PolarHBondContact NH2-OD1 2.6Å; R266-N270 PolarHBondContact O-N 2.98Å; R266-N270 PolarHBondContact O-OD1 3.35Å; R267-N270 PolarHBondContact O-N 3.13Å |
| 271 | G | 95.3 | Very high | 94.2 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 36% | 0.361 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 27.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R267 K268 Y269 R292 | R267-G271 PolarHBondContact O-N 2.98Å; K268-G271 CarbonylContact O-C 3.54Å; Y269-G271 PolarHBondContact O-N 2.77Å; G271-R292 PolarHBondContact O-NH2 2.92Å |
| 272 | A | 96.8 | Very high | 93.5 | Very high | 19 Ų | 19 | 56.3 Ų | 56.3 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | trans | -66.8 | 149.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R137 K268 Y269 L299 Y301 | R137-A272 HydrophobicContact CG-CB 4.25Å; K268-A272 WeakPolarHBondContact O-CA 3.35Å; K268-A272 PolarHBondContact O-N 2.91Å; K268-A272 VanDerWaalsContact O-N 3.09Å; Y269-A272 VanDerWaalsContact O-CB 3.28Å; Y269-A272 WeakPolarHBondContact O-CB 3.07Å; Y269-A272 PolarHBondContact O-N 2.85Å; Y269-A272 VanDerWaalsContact O-N 3.14Å; A272-L299 CarbonylContact C-O 3.47Å; A272-L299 VanDerWaalsContact CA-O 3.32Å; A272-L299 WeakPolarHBondContact CA-O 3.36Å; A272-L299 HydrophobicContact CB-CB 4.05Å; A272-Y301 HydrophobicContact CB-CD1 4.16Å; A272-Y301 HydrophobicContact CB-CE1 4.38Å | ||
| 273 | V | 95.9 | Very high | 93 | Very high | 14 Ų | 14 | 56.9 Ų | 56.9 | 9% | 0.085 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.6 | -171.4 | -175.8 | 0 | 0 | 0 | 0 | 111 | V275 V286 A294 L299 V300 Y301 | V273-V275 HydrophobicContact CG1-CG1 4.28Å; V273-V286 HydrophobicContact CG1-CG1 3.8Å; V273-A294 HydrophobicContact CB-CB 4.01Å; V273-A294 HydrophobicContact CG1-CB 4.14Å; V273-A294 HydrophobicContact CG2-CB 4.13Å; V273-L299 PolarHBondContact N-O 3.44Å; V273-V300 VanDerWaalsContact O-CA 3.31Å; V273-V300 WeakPolarHBondContact O-CA 3.47Å; V273-Y301 WeakPolarHBondContact O-CD1 3.32Å; V273-Y301 PolarHBondContact O-N 2.97Å; V273-Y301 VanDerWaalsContact O-N 3.11Å |
| 274 | E | 95.9 | Very high | 92.6 | Very high | 62 Ų | 62 | 56.8 Ų | 56.8 | 29% | 0.29 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 128.1 | 171.8 | -162.9 | 169.4 | -151.7 | 0 | 0 | 110.1 | A287 Y301 N304 | E274-A287 HydrophobicContact CB-CB 4.14Å; E274-A287 HydrophobicContact CG-CB 3.86Å; E274-A287 PolarHBondContact O-N 3.47Å; E274-Y301 WeakPolarHBondContact CA-O 3.35Å; E274-Y301 HydrophobicContact CB-CE1 3.96Å; E274-Y301 HydrophobicContact CB-CE2 3.92Å; E274-Y301 HydrophobicContact CG-CD2 4.29Å; E274-Y301 HydrophobicContact CG-CE2 3.71Å; E274-N304 PolarHBondContact OE1-ND2 3.04Å |
| 275 | V | 95 | Very high | 92.2 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 156.4 | -175.2 | -62.6 | 0 | 0 | 0 | 0 | 111.9 | V273 F284 T285 V300 Y301 F302 | V273-V275 HydrophobicContact CG1-CG1 4.28Å; V275-F284 HydrophobicContact CB-CB 4.09Å; V275-F284 HydrophobicContact CB-CD2 4.09Å; V275-F284 HydrophobicContact CB-CG 4.31Å; V275-F284 HydrophobicContact CG1-CD2 3.88Å; V275-F284 HydrophobicContact CG1-CE2 4.46Å; V275-F284 HydrophobicContact CG2-CB 4.12Å; V275-F284 HydrophobicContact CG2-CD2 4.19Å; V275-F284 HydrophobicContact CG2-CG 4.13Å; V275-T285 CarbonylContact C-O 3.56Å; V275-T285 WeakPolarHBondContact CA-O 3.5Å; V275-T285 VanDerWaalsContact CB-O 3.25Å; V275-T285 WeakPolarHBondContact CB-O 3.37Å; V275-V300 HydrophobicContact CG1-CB 4.04Å; V275-V300 HydrophobicContact CG1-CG1 4.06Å; V275-V300 HydrophobicContact CG2-CB 3.94Å; V275-V300 HydrophobicContact CG2-CG2 4.28Å; V275-Y301 WeakPolarHBondContact CG2-O 3.47Å; V275-Y301 PolarHBondContact N-O 2.83Å; V275-F302 HydrophobicContact CG2-CD1 4.11Å; V275-F302 HydrophobicContact CG2-CD2 4.42Å; V275-F302 HydrophobicContact CG2-CE1 3.88Å; V275-F302 HydrophobicContact CG2-CE2 4.22Å; V275-F302 HydrophobicContact CG2-CG 4.36Å; V275-F302 HydrophobicContact CG2-CZ 3.95Å; V275-F302 WeakPolarHBondContact O-CD1 3.42Å |
| 276 | I | 92.8 | Very high | 91.9 | Very high | 87 Ų | 87 | 59.8 Ų | 59.8 | 45% | 0.446 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 155.5 | 172.9 | 55.9 | 173.6 | 0 | 0 | 0 | 109.7 | F284 T285 A287 | I276-F284 CarbonylContact O-C 3.56Å; I276-F284 WeakPolarHBondContact O-CA 3.05Å; I276-F284 VanDerWaalsContact O-CB 3.3Å; I276-F284 WeakPolarHBondContact O-CB 3.38Å; I276-T285 PolarHBondContact N-O 2.92Å; I276-T285 PolarHBondContact O-N 2.8Å; I276-A287 HydrophobicContact CG2-CB 3.91Å |
| 277 | M | 89.6 | Confident | 91.5 | Very high | 64 Ų | 64 | 60.6 Ų | 60.6 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 140 | 179.3 | -83.4 | -59.7 | -67.9 | 0 | 0 | 111.2 | G213 L216 F302 | G213-M277 WeakPolarHBondContact CA-SD 3.36Å; L216-M277 HydrophobicContact CD1-CE 3.57Å; L216-M277 HydrophobicContact CD1-SD 3.94Å; M277-F302 HydrophobicContact CG-CE1 3.78Å; M277-F302 HydrophobicContact CG-CZ 3.98Å; M277-F302 HydrophobicContact SD-CE1 4.15Å; M277-F302 HydrophobicContact SD-CZ 3.79Å |
| 278 | N | 87.8 | Confident | 91.1 | Very high | 45 Ų | 45 | 57.4 Ų | 57.4 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | trans | -71.8 | 152.8 | 172.2 | -65.9 | -9.9 | 0 | 0 | 0 | 110.6 | D280 G281 G283 F284 T285 | N278-D280 WeakPolarHBondContact CB-OD1 3.45Å; N278-D280 PolarHBondContact O-N 2.04Å; N278-G281 PolarHBondContact O-N 3.08Å; N278-G283 WeakPolarHBondContact CB-O 3.03Å; N278-G283 PolarHBondContact N-O 2.75Å; N278-F284 PolarHBondContact ND2-N 2.92Å; N278-F284 WeakPolarHBondContact OD1-CA 3.46Å; N278-T285 WeakPolarHBondContact OD1-CB 3.4Å; N278-T285 VanDerWaalsContact OD1-CG2 3.26Å; N278-T285 WeakPolarHBondContact OD1-CG2 3.25Å; N278-T285 PolarHBondContact OD1-N 2.96Å; N278-T285 VanDerWaalsContact OD1-N 3.09Å; N278-T285 PolarHBondContact OD1-OG1 2.73Å | ||
| 279 | Q | 84.2 | Confident | 90.5 | Very high | 213 Ų | 213 | 64.8 Ų | 64.8 | 100% | 0.995 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26.7 | -179.6 | -67.4 | 175.5 | -22.1 | 0 | 0 | 113.6 | G281 | Q279-G281 VanDerWaalsContact C-N 3.33Š|
| 280 | D | 83.9 | Confident | 90 | Very high | 100 Ų | 100 | 67.9 Ų | 67.9 | 54% | 0.535 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -13.3 | 176.7 | 69.4 | -12.5 | 0 | 0 | 0 | 113.6 | N278 T282 | N278-D280 WeakPolarHBondContact CB-OD1 3.45Å; N278-D280 PolarHBondContact O-N 2.04Å; D280-T282 HydrophobicContact CB-CG2 4.14Å; D280-T282 VanDerWaalsContact CG-OG1 3.27Å; D280-T282 PolarHBondContact O-N 2.91Å; D280-T282 PolarHBondContact OD1-N 2.99Å; D280-T282 PolarHBondContact OD1-OG1 3.45Å; D280-T282 WeakPolarHBondContact OD2-CB 3.46Å; D280-T282 VanDerWaalsContact OD2-CG2 3.27Å; D280-T282 WeakPolarHBondContact OD2-CG2 3.36Å; D280-T282 PolarHBondContact OD2-OG1 2.81Å |
| 281 | G | 80.9 | Confident | 89.5 | Confident | 17 Ų | 17 | 69.3 Ų | 69.3 | 18% | 0.175 | 38% | 0.384 | C | S | . | . | S | Bend | trans | 69.2 | 9.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | N278 Q279 | N278-G281 PolarHBondContact O-N 3.08Å; Q279-G281 VanDerWaalsContact C-N 3.33Å |
| 282 | T | 83.3 | Confident | 89.2 | Confident | 101 Ų | 101 | 74 Ų | 74 | 62% | 0.62 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -89.6 | -18.4 | -176.1 | 76.4 | 0 | 0 | 0 | 0 | 113.6 | D280 | D280-T282 HydrophobicContact CB-CG2 4.14Å; D280-T282 VanDerWaalsContact CG-OG1 3.27Å; D280-T282 PolarHBondContact O-N 2.91Å; D280-T282 PolarHBondContact OD1-N 2.99Å; D280-T282 PolarHBondContact OD1-OG1 3.45Å; D280-T282 WeakPolarHBondContact OD2-CB 3.46Å; D280-T282 VanDerWaalsContact OD2-CG2 3.27Å; D280-T282 WeakPolarHBondContact OD2-CG2 3.36Å; D280-T282 PolarHBondContact OD2-OG1 2.81Å |
| 283 | G | 87.6 | Confident | 88.9 | Confident | 13 Ų | 13 | 81.6 Ų | 81.6 | 13% | 0.134 | 42% | 0.421 | C | S | . | . | trans | -169.5 | -161 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N278 | N278-G283 WeakPolarHBondContact CB-O 3.03Å; N278-G283 PolarHBondContact N-O 2.75Å | ||
| 284 | F | 90.6 | Very high | 88.7 | Confident | 51 Ų | 51 | 82.3 Ų | 82.3 | 22% | 0.224 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 156.6 | -172.2 | 50.8 | -104.5 | 0 | 0 | 0 | 112.6 | L216 H220 V275 I276 N278 V300 F302 | L216-F284 HydrophobicContact CB-CD1 4.49Å; H220-F284 HydrophobicContact CB-CE1 4.18Å; H220-F284 HydrophobicContact CB-CZ 4.08Å; H220-F284 AromaticContact CG-CZ 3.8Å; H220-F284 AromaticContact ND1-CZ 3.75Å; V275-F284 HydrophobicContact CB-CB 4.09Å; V275-F284 HydrophobicContact CB-CD2 4.09Å; V275-F284 HydrophobicContact CB-CG 4.31Å; V275-F284 HydrophobicContact CG1-CD2 3.88Å; V275-F284 HydrophobicContact CG1-CE2 4.46Å; V275-F284 HydrophobicContact CG2-CB 4.12Å; V275-F284 HydrophobicContact CG2-CD2 4.19Å; V275-F284 HydrophobicContact CG2-CG 4.13Å; I276-F284 CarbonylContact O-C 3.56Å; I276-F284 WeakPolarHBondContact O-CA 3.05Å; I276-F284 VanDerWaalsContact O-CB 3.3Å; I276-F284 WeakPolarHBondContact O-CB 3.38Å; N278-F284 PolarHBondContact ND2-N 2.92Å; N278-F284 WeakPolarHBondContact OD1-CA 3.46Å; F284-V300 HydrophobicContact CE1-CG2 4.32Å; F284-V300 HydrophobicContact CE2-CG1 4.03Å; F284-V300 HydrophobicContact CE2-CG2 4.3Å; F284-V300 HydrophobicContact CZ-CG1 4.38Å; F284-V300 HydrophobicContact CZ-CG2 4Å; F284-F302 HydrophobicContact CB-CE1 4.46Å; F284-F302 HydrophobicContact CB-CZ 4.2Å |
| 285 | T | 90.8 | Very high | 88.6 | Confident | 71 Ų | 71 | 82.5 Ų | 82.5 | 44% | 0.436 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 164.2 | 176 | 32.3 | 0 | 0 | 0 | 0 | 110 | V275 I276 N278 | V275-T285 CarbonylContact C-O 3.56Å; V275-T285 WeakPolarHBondContact CA-O 3.5Å; V275-T285 VanDerWaalsContact CB-O 3.25Å; V275-T285 WeakPolarHBondContact CB-O 3.37Å; I276-T285 PolarHBondContact N-O 2.92Å; I276-T285 PolarHBondContact O-N 2.8Å; N278-T285 WeakPolarHBondContact OD1-CB 3.4Å; N278-T285 VanDerWaalsContact OD1-CG2 3.26Å; N278-T285 WeakPolarHBondContact OD1-CG2 3.25Å; N278-T285 PolarHBondContact OD1-N 2.96Å; N278-T285 VanDerWaalsContact OD1-N 3.09Å; N278-T285 PolarHBondContact OD1-OG1 2.73Å |
| 286 | V | 92 | Very high | 88.5 | Confident | 18 Ų | 18 | 89.1 Ų | 89.1 | 11% | 0.109 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 136.9 | 179.1 | -65.6 | 0 | 0 | 0 | 0 | 111.2 | V273 N288 | V273-V286 HydrophobicContact CG1-CG1 3.8Å; V286-N288 WeakPolarHBondContact CG2-O 3.26Å; V286-N288 PolarHBondContact O-N 2.89Å |
| 287 | A | 89.4 | Confident | 88.6 | Confident | 39 Ų | 39 | 88 Ų | 88 | 32% | 0.322 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -62.4 | -42.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | E274 I276 | E274-A287 HydrophobicContact CB-CB 4.14Å; E274-A287 HydrophobicContact CG-CB 3.86Å; E274-A287 PolarHBondContact O-N 3.47Å; I276-A287 HydrophobicContact CG2-CB 3.91Å |
| 288 | N | 89.3 | Confident | 88.9 | Confident | 80 Ų | 80 | 85 Ų | 85 | 43% | 0.428 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -111.9 | 121.3 | 171.2 | 176.4 | -7.1 | 0 | 0 | 0 | 109.9 | V286 A290 F291 | V286-N288 WeakPolarHBondContact CG2-O 3.26Å; V286-N288 PolarHBondContact O-N 2.89Å; N288-A290 PolarHBondContact O-N 2.04Å; N288-A290 WeakPolarHBondContact OD1-CB 3.48Å; N288-A290 PolarHBondContact OD1-N 3.01Å; N288-F291 HydrophobicContact CB-CD2 3.75Å; N288-F291 HydrophobicContact CB-CE2 3.91Å; N288-F291 PolarHBondContact O-N 2.89Å |
| 289 | K | 86.1 | Confident | 89.4 | Confident | 198 Ų | 198 | 82.9 Ų | 82.9 | 86% | 0.861 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -15.5 | -176.5 | -64.7 | 178 | -178.1 | 174.2 | 0 | 114.5 | F291 | K289-F291 VanDerWaalsContact C-N 3.29Š|
| 290 | A | 87 | Confident | 90 | Very high | 87 Ų | 87 | 72.8 Ų | 72.8 | 72% | 0.719 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -17.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N288 | N288-A290 PolarHBondContact O-N 2.04Å; N288-A290 WeakPolarHBondContact OD1-CB 3.48Å; N288-A290 PolarHBondContact OD1-N 3.01Å |
| 291 | F | 85.4 | Confident | 90.6 | Very high | 139 Ų | 139 | 68.9 Ų | 68.9 | 61% | 0.61 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -87.5 | 153.3 | 177.5 | -63.7 | -51.7 | 0 | 0 | 0 | 113 | N288 K289 | N288-F291 HydrophobicContact CB-CD2 3.75Å; N288-F291 HydrophobicContact CB-CE2 3.91Å; N288-F291 PolarHBondContact O-N 2.89Å; K289-F291 VanDerWaalsContact C-N 3.29Å |
| 292 | R | 89.9 | Confident | 91.3 | Very high | 134 Ų | 134 | 70.1 Ų | 70.1 | 51% | 0.506 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 138.7 | 174.3 | 72.7 | -175.1 | -172.5 | 86.6 | -0.1 | 111.1 | G271 D298 | G271-R292 PolarHBondContact O-NH2 2.92Å; R292-D298 IonicContact CZ-OD1 2.89Å; R292-D298 IonicContact CZ-OD2 3.18Å; R292-D298 IonicContact NH1-OD1 2.7Å; R292-D298 PolarHBondContact NH1-OD1 2.86Å; R292-D298 IonicContact NH1-OD2 2.88Å; R292-D298 PolarHBondContact NH1-OD2 3.33Å; R292-D298 VanDerWaalsContact NH2-CG 3.26Å; R292-D298 IonicContact NH2-OD1 3.21Å; R292-D298 PolarHBondContact NH2-OD1 3.37Å; R292-D298 IonicContact NH2-OD2 2.73Å; R292-D298 PolarHBondContact NH2-OD2 3.48Å |
| 293 | K | 89.9 | Confident | 91.7 | Very high | 178 Ų | 178 | 68.3 Ų | 68.3 | 77% | 0.774 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 138.2 | 172.5 | -67.1 | 179.9 | -179.4 | 176.7 | 0 | 110.3 | T295 | K293-T295 PolarHBondContact O-N 2.02Š|
| 294 | A | 91.9 | Very high | 92 | Very high | 30 Ų | 30 | 71.8 Ų | 71.8 | 25% | 0.248 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 133 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V273 V300 | V273-A294 HydrophobicContact CB-CB 4.01Å; V273-A294 HydrophobicContact CG1-CB 4.14Å; V273-A294 HydrophobicContact CG2-CB 4.13Å; A294-V300 HydrophobicContact CB-CG1 3.7Å |
| 295 | T | 93.5 | Very high | 92.1 | Very high | 65 Ų | 65 | 70.8 Ų | 70.8 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -89.3 | 168 | 174.5 | 72.7 | 0 | 0 | 0 | 0 | 111.5 | H220 K293 N297 D298 | H220-T295 PolarHBondContact CE1-O 3.48Å; K293-T295 PolarHBondContact O-N 2.02Å; T295-N297 PolarHBondContact O-N 3.18Å; T295-N297 PolarHBondContact OG1-N 3.38Å; T295-D298 VanDerWaalsContact CB-OD2 3.27Å; T295-D298 WeakPolarHBondContact CB-OD2 3.46Å; T295-D298 WeakPolarHBondContact CG2-OD2 3.33Å; T295-D298 PolarHBondContact N-OD2 3.39Å; T295-D298 PolarHBondContact O-N 2.74Å; T295-D298 VanDerWaalsContact O-N 3.09Å; T295-D298 VanDerWaalsContact OG1-CG 3.29Å; T295-D298 PolarHBondContact OG1-N 3.22Å; T295-D298 PolarHBondContact OG1-OD2 2.78Å |
| 296 | K | 92.6 | Very high | 92.2 | Very high | 142 Ų | 142 | 68.3 Ų | 68.3 | 62% | 0.617 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -8.8 | 173.4 | -64.5 | 169.6 | -176.4 | 167.4 | 0 | 114.2 | ||
| 297 | N | 94.3 | Very high | 92.2 | Very high | 64 Ų | 64 | 71.7 Ų | 71.7 | 34% | 0.342 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 10.9 | -177.4 | -55.6 | -20.8 | 0 | 0 | 0 | 112.6 | K268 T295 | K268-N297 VanDerWaalsContact CD-O 3.3Å; K268-N297 WeakPolarHBondContact CD-O 3.36Å; K268-N297 WeakPolarHBondContact CE-O 3.35Å; K268-N297 PolarHBondContact NZ-O 2.88Å; T295-N297 PolarHBondContact O-N 3.18Å; T295-N297 PolarHBondContact OG1-N 3.38Å |
| 298 | D | 96.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -100.8 | 148.1 | 171 | -65.6 | -57.3 | 0 | 0 | 0 | 110 | H220 K268 R292 T295 | H220-D298 PolarHBondContact NE2-O 3.18Å; K268-D298 IonicContact NZ-OD1 3.93Å; K268-D298 PolarHBondContact NZ-OD1 2.81Å; R292-D298 IonicContact CZ-OD1 2.89Å; R292-D298 IonicContact CZ-OD2 3.18Å; R292-D298 IonicContact NH1-OD1 2.7Å; R292-D298 PolarHBondContact NH1-OD1 2.86Å; R292-D298 IonicContact NH1-OD2 2.88Å; R292-D298 PolarHBondContact NH1-OD2 3.33Å; R292-D298 VanDerWaalsContact NH2-CG 3.26Å; R292-D298 IonicContact NH2-OD1 3.21Å; R292-D298 PolarHBondContact NH2-OD1 3.37Å; R292-D298 IonicContact NH2-OD2 2.73Å; R292-D298 PolarHBondContact NH2-OD2 3.48Å; T295-D298 VanDerWaalsContact CB-OD2 3.27Å; T295-D298 WeakPolarHBondContact CB-OD2 3.46Å; T295-D298 WeakPolarHBondContact CG2-OD2 3.33Å; T295-D298 PolarHBondContact N-OD2 3.39Å; T295-D298 PolarHBondContact O-N 2.74Å; T295-D298 VanDerWaalsContact O-N 3.09Å; T295-D298 VanDerWaalsContact OG1-CG 3.29Å; T295-D298 PolarHBondContact OG1-N 3.22Å; T295-D298 PolarHBondContact OG1-OD2 2.78Å |
| 299 | L | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.335 | C | S | . | . | trans | -78.3 | 145.8 | 169.9 | -60.7 | -178.8 | 0 | 0 | 0 | 110 | A140 F141 A144 N221 C224 K268 A272 V273 | A140-L299 HydrophobicContact CB-CB 4.43Å; F141-L299 HydrophobicContact CB-CD1 4.36Å; F141-L299 HydrophobicContact CD2-CD1 4.48Å; A144-L299 HydrophobicContact CB-CD1 4.46Å; A144-L299 HydrophobicContact CB-CD2 3.6Å; N221-L299 HydrophobicContact CB-CD2 4.19Å; N221-L299 WeakPolarHBondContact OD1-CA 3.18Å; N221-L299 WeakPolarHBondContact OD1-CD2 3.37Å; C224-L299 HydrophobicContact CB-CD2 3.99Å; K268-L299 HydrophobicContact CB-CD1 4.37Å; K268-L299 HydrophobicContact CB-CG 4.1Å; A272-L299 CarbonylContact C-O 3.47Å; A272-L299 VanDerWaalsContact CA-O 3.32Å; A272-L299 WeakPolarHBondContact CA-O 3.36Å; A272-L299 HydrophobicContact CB-CB 4.05Å; V273-L299 PolarHBondContact N-O 3.44Å | ||
| 300 | V | 97.3 | Very high | 93 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 151.5 | 179.5 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | A140 M217 H220 N221 V273 V275 F284 A294 | A140-V300 WeakPolarHBondContact CB-O 3.43Å; M217-V300 HydrophobicContact CB-CG2 4.32Å; M217-V300 HydrophobicContact CG-CG2 4.17Å; M217-V300 WeakPolarHBondContact CG-O 3.14Å; H220-V300 HydrophobicContact CB-CG2 4.49Å; N221-V300 PolarHBondContact ND2-O 3.14Å; N221-V300 PolarHBondContact OD1-N 3.06Å; V273-V300 VanDerWaalsContact O-CA 3.31Å; V273-V300 WeakPolarHBondContact O-CA 3.47Å; V275-V300 HydrophobicContact CG1-CB 4.04Å; V275-V300 HydrophobicContact CG1-CG1 4.06Å; V275-V300 HydrophobicContact CG2-CB 3.94Å; V275-V300 HydrophobicContact CG2-CG2 4.28Å; F284-V300 HydrophobicContact CE1-CG2 4.32Å; F284-V300 HydrophobicContact CE2-CG1 4.03Å; F284-V300 HydrophobicContact CE2-CG2 4.3Å; F284-V300 HydrophobicContact CZ-CG1 4.38Å; F284-V300 HydrophobicContact CZ-CG2 4Å; A294-V300 HydrophobicContact CB-CG1 3.7Å |
| 301 | Y | 96.7 | Very high | 93.1 | Very high | 18 Ų | 18 | 63.7 Ų | 63.7 | 7% | 0.071 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 157.6 | 179.9 | 73 | -84.7 | 0 | 0 | 0 | 111.5 | S135 R137 A272 V273 E274 V275 E303 | S135-Y301 WeakPolarHBondContact O-CB 3.49Å; R137-Y301 HydrophobicContact CG-CD1 3.33Å; R137-Y301 HydrophobicContact CG-CD2 4.01Å; R137-Y301 HydrophobicContact CG-CE1 3.42Å; R137-Y301 VanDerWaalsContact CG-CE1 3.42Å; R137-Y301 HydrophobicContact CG-CE2 4.11Å; R137-Y301 HydrophobicContact CG-CG 3.63Å; A272-Y301 HydrophobicContact CB-CD1 4.16Å; A272-Y301 HydrophobicContact CB-CE1 4.38Å; V273-Y301 WeakPolarHBondContact O-CD1 3.32Å; V273-Y301 PolarHBondContact O-N 2.97Å; V273-Y301 VanDerWaalsContact O-N 3.11Å; E274-Y301 WeakPolarHBondContact CA-O 3.35Å; E274-Y301 HydrophobicContact CB-CE1 3.96Å; E274-Y301 HydrophobicContact CB-CE2 3.92Å; E274-Y301 HydrophobicContact CG-CD2 4.29Å; E274-Y301 HydrophobicContact CG-CE2 3.71Å; V275-Y301 WeakPolarHBondContact CG2-O 3.47Å; V275-Y301 PolarHBondContact N-O 2.83Å; Y301-E303 WeakPolarHBondContact CD2-O 3.32Å |
| 302 | F | 94.3 | Very high | 93.3 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 19% | 0.193 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -113.8 | -24 | -179.8 | -70.4 | -84.7 | 0 | 0 | 0 | 114 | S135 G213 M217 V275 M277 F284 | S135-F302 PolarHBondContact O-N 3.27Å; G213-F302 WeakPolarHBondContact O-CE2 3.48Å; M217-F302 HydrophobicContact CB-CD2 3.99Å; M217-F302 HydrophobicContact CB-CE2 3.63Å; M217-F302 HydrophobicContact SD-CD2 4.09Å; V275-F302 HydrophobicContact CG2-CD1 4.11Å; V275-F302 HydrophobicContact CG2-CD2 4.42Å; V275-F302 HydrophobicContact CG2-CE1 3.88Å; V275-F302 HydrophobicContact CG2-CE2 4.22Å; V275-F302 HydrophobicContact CG2-CG 4.36Å; V275-F302 HydrophobicContact CG2-CZ 3.95Å; V275-F302 WeakPolarHBondContact O-CD1 3.42Å; M277-F302 HydrophobicContact CG-CE1 3.78Å; M277-F302 HydrophobicContact CG-CZ 3.98Å; M277-F302 HydrophobicContact SD-CE1 4.15Å; M277-F302 HydrophobicContact SD-CZ 3.79Å; F284-F302 HydrophobicContact CB-CE1 4.46Å; F284-F302 HydrophobicContact CB-CZ 4.2Å |
| 303 | E | 93.4 | Very high | 93.1 | Very high | 62 Ų | 62 | 61.5 Ų | 61.5 | 29% | 0.29 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -122.5 | 135.7 | -171.6 | -68.6 | 170.9 | -108.5 | 0 | 0 | 110.3 | R134 S135 S136 R214 Y301 | R134-E303 HydrophobicContact CG-CB 3.82Å; R134-E303 WeakPolarHBondContact CG-OE2 3.26Å; R134-E303 IonicContact NE-OE2 3.59Å; S135-E303 WeakPolarHBondContact CB-OE1 3.34Å; S135-E303 PolarHBondContact N-OE1 3.38Å; S135-E303 PolarHBondContact O-N 3.32Å; S135-E303 PolarHBondContact OG-OE1 3.39Å; S136-E303 VanDerWaalsContact CA-O 3.23Å; S136-E303 WeakPolarHBondContact CA-O 3.37Å; S136-E303 WeakPolarHBondContact CB-O 3.07Å; R214-E303 IonicContact CZ-OE1 3.84Å; R214-E303 IonicContact NH2-OE1 3.51Å; R214-E303 PolarHBondContact NH2-OE1 3.42Å; Y301-E303 WeakPolarHBondContact CD2-O 3.32Å |
| 304 | N | 93.3 | Very high | 92.7 | Very high | 87 Ų | 87 | 56.3 Ų | 56.3 | 47% | 0.465 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -68 | 143.3 | 178 | -80.6 | -69.3 | 0 | 0 | 0 | 112.4 | R134 E274 | R134-N304 PolarHBondContact NH1-O 2.03Å; E274-N304 PolarHBondContact OE1-ND2 3.04Å |
| 305 | S | 93.4 | Very high | 92.3 | Very high | 29 Ų | 29 | 55.4 Ų | 55.4 | 20% | 0.203 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -51.3 | 136.3 | 176.4 | -52.1 | 0 | 0 | 0 | 0 | 110.4 | R137 E138 | R137-S305 PolarHBondContact NE-OG 3.16Å; R137-S305 PolarHBondContact NH2-OG 3.49Å; R137-S305 VanDerWaalsContact NH2-OG 3.13Å; E138-S305 VanDerWaalsContact CD-OG 3.32Å; E138-S305 VanDerWaalsContact OE1-CB 3.25Å; E138-S305 WeakPolarHBondContact OE1-CB 3.11Å; E138-S305 PolarHBondContact OE1-OG 2.86Å; E138-S305 PolarHBondContact OE2-OG 3.26Å |
| 306 | P | 92.4 | Very high | 91.7 | Very high | 19 Ų | 19 | 53.1 Ų | 53.1 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 167.3 | 172.5 | 32.9 | -36.4 | 0 | 0 | 0 | 110.8 | Y308 A315 | P306-Y308 HydrophobicContact CG-CD1 4.29Å; P306-Y308 HydrophobicContact CG-CD2 4.45Å; P306-Y308 HydrophobicContact CG-CE1 3.71Å; P306-Y308 HydrophobicContact CG-CE2 3.91Å; P306-Y308 WeakPolarHBondContact O-CD2 3.37Å; P306-Y308 PolarHBondContact O-N 3.38Å; P306-A315 HydrophobicContact CB-CB 3.6Å; P306-A315 HydrophobicContact CG-CB 3.99Å |
| 307 | D | 92 | Very high | 91.5 | Very high | 89 Ų | 89 | 46.5 Ų | 46.5 | 48% | 0.476 | 25% | 0.249 | S | C | . | . | trans | -71.8 | 111.5 | 167.3 | 179.9 | 29.3 | 0 | 0 | 0 | 110.7 | C309 | D307-C309 VanDerWaalsContact C-N 3.32Å; D307-C309 VanDerWaalsContact OD1-CB 3.26Å; D307-C309 WeakPolarHBondContact OD1-CB 3.08Å; D307-C309 PolarHBondContact OD1-N 3.26Å; D307-C309 PolarHBondContact OD1-SG 3.13Å; D307-C309 WeakPolarHBondContact OD2-CB 3.41Å | ||
| 308 | Y | 94.1 | Very high | 91.3 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | trans | -83.5 | -0.5 | 176.3 | -67.6 | -69.6 | 0 | 0 | 0 | 113.9 | W116 E138 P306 S317 G319 | W116-Y308 HydrophobicContact CB-CD1 3.8Å; W116-Y308 HydrophobicContact CB-CD2 3.81Å; W116-Y308 HydrophobicContact CB-CE1 3.83Å; W116-Y308 HydrophobicContact CB-CE2 3.82Å; W116-Y308 HydrophobicContact CB-CG 3.79Å; W116-Y308 AromaticContact CD1-CE1 3.61Å; W116-Y308 AromaticContact CD1-CZ 3.99Å; W116-Y308 HydrophobicContact CG-CD1 4.32Å; W116-Y308 AromaticContact CG-CE1 3.93Å; W116-Y308 HydrophobicContact CG-CE1 3.93Å; W116-Y308 HydrophobicContact CG-CE2 4.4Å; W116-Y308 AromaticContact CG-CZ 3.97Å; E138-Y308 HydrophobicContact CG-CE2 3.98Å; P306-Y308 HydrophobicContact CG-CD1 4.29Å; P306-Y308 HydrophobicContact CG-CD2 4.45Å; P306-Y308 HydrophobicContact CG-CE1 3.71Å; P306-Y308 HydrophobicContact CG-CE2 3.91Å; P306-Y308 WeakPolarHBondContact O-CD2 3.37Å; P306-Y308 PolarHBondContact O-N 3.38Å; Y308-S317 WeakPolarHBondContact CA-OG 3.33Å; Y308-G319 CarbonylContact O-C 3.59Å; Y308-G319 WeakPolarHBondContact O-CA 3.18Å | ||
| 309 | C | 94.1 | Very high | 91.1 | Very high | 9 Ų | 9 | 48.3 Ų | 48.3 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -66.8 | -41.8 | 177 | -66.1 | 0 | 0 | 0 | 0 | 112.9 | R115 D307 G319 T320 C340 R342 | R115-C309 PolarHBondContact NH1-SG 3.05Å; D307-C309 VanDerWaalsContact C-N 3.32Å; D307-C309 VanDerWaalsContact OD1-CB 3.26Å; D307-C309 WeakPolarHBondContact OD1-CB 3.08Å; D307-C309 PolarHBondContact OD1-N 3.26Å; D307-C309 PolarHBondContact OD1-SG 3.13Å; D307-C309 WeakPolarHBondContact OD2-CB 3.41Å; C309-G319 WeakPolarHBondContact O-CA 3.38Å; C309-T320 PolarHBondContact O-N 3.47Å; C309-T320 PolarHBondContact O-OG1 2.03Å; C309-C340 HydrophobicContact CB-CB 3.68Å; C309-C340 WeakPolarHBondContact CB-SG 3.37Å; C309-C340 WeakPolarHBondContact SG-CB 3.05Å; C309-C340 CovalentContact SG-SG 2.02Å; C309-C340 PolarHBondContact SG-SG 2.02Å; C309-R342 PolarHBondContact O-NH1 2.83Å |
| 310 | L | 92.3 | Very high | 91 | Very high | 84 Ų | 84 | 48.3 Ų | 48.3 | 44% | 0.44 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -99.2 | 156.1 | -179.2 | -58.7 | -178.9 | 0 | 0 | 0 | 111 | D312 S317 G319 P382 | L310-D312 PolarHBondContact O-N 2.93Å; L310-S317 WeakPolarHBondContact O-CB 3.06Å; L310-S317 PolarHBondContact O-OG 3.14Å; L310-G319 VanDerWaalsContact C-CA 3.42Å; L310-G319 WeakPolarHBondContact O-CA 3.39Å; L310-G319 PolarHBondContact O-N 3.2Å; L310-P382 HydrophobicContact CD2-CB 4.11Å; L310-P382 HydrophobicContact CD2-CG 3.68Å |
| 311 | Q | 90.4 | Very high | 90.9 | Very high | 128 Ų | 128 | 50.6 Ų | 50.6 | 60% | 0.598 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 120.3 | 173.2 | -177.3 | 173.3 | 93.2 | 0 | 0 | 109.4 | L318 | Q311-L318 WeakPolarHBondContact CB-O 3.32Å; Q311-L318 PolarHBondContact NE2-O 3.25Å |
| 312 | D | 88.6 | Confident | 90.8 | Very high | 67 Ų | 67 | 52.7 Ų | 52.7 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 110.1 | 174 | 176.9 | 19.7 | 0 | 0 | 0 | 110.4 | L310 A314 A315 G316 S317 | L310-D312 PolarHBondContact O-N 2.93Å; D312-A314 PolarHBondContact O-N 3.41Å; D312-A314 WeakPolarHBondContact OD1-CA 3.47Å; D312-A314 VanDerWaalsContact OD1-CB 3.3Å; D312-A314 WeakPolarHBondContact OD1-CB 3.01Å; D312-A314 PolarHBondContact OD1-N 3.49Å; D312-A315 HydrophobicContact CB-CB 4.43Å; D312-A315 WeakPolarHBondContact OD2-CB 3.24Å; D312-A315 PolarHBondContact OD2-N 3Å; D312-G316 CarbonylContact O-C 3.55Å; D312-G316 PolarHBondContact O-N 3.26Å; D312-S317 CarbonylContact C-O 3.53Å; D312-S317 PolarHBondContact N-O 3.16Å; D312-S317 PolarHBondContact O-N 3.28Å |
| 313 | K | 85 | Confident | 90.9 | Very high | 160 Ų | 160 | 52.3 Ų | 52.3 | 70% | 0.696 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -16.3 | 177.4 | -62.5 | 178.2 | -176.3 | 173.5 | 0 | 112.6 | R130 | R130-K313 WeakPolarHBondContact CD-O 3.5Å; R130-K313 PolarHBondContact NH1-O 3.11Å |
| 314 | A | 83.3 | Confident | 91 | Very high | 68 Ų | 68 | 54 Ų | 54 | 56% | 0.562 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -56.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | D312 G316 | D312-A314 PolarHBondContact O-N 3.41Å; D312-A314 WeakPolarHBondContact OD1-CA 3.47Å; D312-A314 VanDerWaalsContact OD1-CB 3.3Å; D312-A314 WeakPolarHBondContact OD1-CB 3.01Å; D312-A314 PolarHBondContact OD1-N 3.49Å; A314-G316 VanDerWaalsContact C-N 3.27Å; A314-G316 PolarHBondContact O-N 3.3Å |
| 315 | A | 81.8 | Confident | 91.2 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 10% | 0.099 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -9.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | P306 D312 | P306-A315 HydrophobicContact CB-CB 3.6Å; P306-A315 HydrophobicContact CG-CB 3.99Å; D312-A315 HydrophobicContact CB-CB 4.43Å; D312-A315 WeakPolarHBondContact OD2-CB 3.24Å; D312-A315 PolarHBondContact OD2-N 3Å |
| 316 | G | 81.9 | Confident | 91.3 | Very high | 16 Ų | 16 | 51.8 Ų | 51.8 | 17% | 0.165 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | 26 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D312 A314 | D312-G316 CarbonylContact O-C 3.55Å; D312-G316 PolarHBondContact O-N 3.26Å; A314-G316 VanDerWaalsContact C-N 3.27Å; A314-G316 PolarHBondContact O-N 3.3Å |
| 317 | S | 88.9 | Confident | 91.5 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.028 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130 | 172 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | Y308 L310 D312 G319 | Y308-S317 WeakPolarHBondContact CA-OG 3.33Å; L310-S317 WeakPolarHBondContact O-CB 3.06Å; L310-S317 PolarHBondContact O-OG 3.14Å; D312-S317 CarbonylContact C-O 3.53Å; D312-S317 PolarHBondContact N-O 3.16Å; D312-S317 PolarHBondContact O-N 3.28Å; S317-G319 VanDerWaalsContact C-N 3.35Å; S317-G319 PolarHBondContact OG-N 3.22Å; S317-G319 VanDerWaalsContact OG-N 3.08Å |
| 318 | L | 89.9 | Confident | 91.6 | Very high | 90 Ų | 90 | 58.6 Ų | 58.6 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -15.1 | 168 | -63.8 | -176.4 | 0 | 0 | 0 | 113.1 | S119 L121 Q311 | S119-L318 WeakPolarHBondContact OG-CD1 3.18Å; L121-L318 HydrophobicContact CD2-CD1 4.37Å; L121-L318 HydrophobicContact CD2-CD2 4Å; Q311-L318 WeakPolarHBondContact CB-O 3.32Å; Q311-L318 PolarHBondContact NE2-O 3.25Å |
| 319 | G | 92.9 | Very high | 91.7 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 12% | 0.124 | 35% | 0.348 | C | S | . | . | trans | 80.5 | 179 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y308 C309 L310 S317 | Y308-G319 CarbonylContact O-C 3.59Å; Y308-G319 WeakPolarHBondContact O-CA 3.18Å; C309-G319 WeakPolarHBondContact O-CA 3.38Å; L310-G319 VanDerWaalsContact C-CA 3.42Å; L310-G319 WeakPolarHBondContact O-CA 3.39Å; L310-G319 PolarHBondContact O-N 3.2Å; S317-G319 VanDerWaalsContact C-N 3.35Å; S317-G319 PolarHBondContact OG-N 3.22Å; S317-G319 VanDerWaalsContact OG-N 3.08Å | ||
| 320 | T | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -113 | 5.6 | 179.4 | 61.5 | 0 | 0 | 0 | 0 | 115.2 | R115 C309 R323 M338 R342 C379 | R115-T320 HydrophobicContact CB-CG2 3.88Å; R115-T320 HydrophobicContact CG-CG2 4.01Å; C309-T320 PolarHBondContact O-N 3.47Å; C309-T320 PolarHBondContact O-OG1 2.03Å; T320-R323 PolarHBondContact O-N 2.81Å; T320-M338 WeakPolarHBondContact CB-O 3.3Å; T320-M338 WeakPolarHBondContact CG2-O 3.46Å; T320-M338 PolarHBondContact OG1-O 3Å; T320-R342 PolarHBondContact OG1-NH1 2.72Å; T320-R342 PolarHBondContact OG1-NH2 2.75Å; T320-C379 WeakPolarHBondContact O-CB 3.49Å |
| 321 | A | 95.3 | Very high | 91.7 | Very high | 49 Ų | 49 | 68 Ų | 68 | 41% | 0.405 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 142.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R323 A381 | A321-R323 PolarHBondContact O-N 3.08Å; A321-A381 HydrophobicContact CB-CB 4.41Å |
| 322 | G | 94.6 | Very high | 91.9 | Very high | 61 Ų | 61 | 64.4 Ų | 64.4 | 63% | 0.629 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 6.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | T378 C379 | G322-T378 VanDerWaalsContact C-CG2 3.47Å; G322-C379 PolarHBondContact N-O 2.9Å |
| 323 | R | 95.4 | Very high | 92.3 | Very high | 37 Ų | 37 | 62.8 Ų | 62.8 | 14% | 0.14 | 36% | 0.361 | C | S | . | . | trans | -88.8 | 136.3 | 177 | -70.6 | -168.3 | 59.7 | 174.7 | -6.5 | 112.2 | R112 H114 R115 T320 A321 M338 T378 C379 | R112-R323 PolarHBondContact O-NH2 3.46Å; H114-R323 VanDerWaalsContact O-CZ 3.27Å; H114-R323 PolarHBondContact O-NH1 3.01Å; H114-R323 PolarHBondContact O-NH2 3.27Å; R115-R323 PolarHBondContact O-NH1 3.09Å; T320-R323 PolarHBondContact O-N 2.81Å; A321-R323 PolarHBondContact O-N 3.08Å; R323-M338 PolarHBondContact NH2-SD 3.16Å; R323-T378 CarbonylContact O-C 3.6Å; R323-T378 WeakPolarHBondContact O-CA 3Å; R323-C379 PolarHBondContact O-N 2.84Å | ||
| 324 | V | 95.8 | Very high | 92.8 | Very high | 96 Ų | 96 | 55.1 Ų | 55.1 | 58% | 0.582 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 139 | 169.4 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | I376 H377 | V324-I376 HydrophobicContact CG1-CG2 4.12Å; V324-I376 HydrophobicContact CG2-CG2 3.97Å; V324-H377 CarbonylContact C-O 3.47Å; V324-H377 VanDerWaalsContact CA-O 3.3Å; V324-H377 WeakPolarHBondContact CA-O 3.48Å |
| 325 | C | 96.7 | Very high | 93.5 | Very high | 11 Ų | 11 | 52.2 Ų | 52.2 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 164.8 | 176.2 | 67.2 | 0 | 0 | 0 | 0 | 111.2 | C335 M338 C339 H377 | C325-C335 HydrophobicContact CB-CB 3.85Å; C325-C335 WeakPolarHBondContact CB-SG 3.33Å; C325-C335 VanDerWaalsContact SG-CA 3.53Å; C325-C335 WeakPolarHBondContact SG-CB 3.29Å; C325-C335 CovalentContact SG-SG 2.04Å; C325-C335 PolarHBondContact SG-SG 2.72Å; C325-M338 HydrophobicContact CB-CB 3.93Å; C325-M338 HydrophobicContact CB-CG 4.01Å; C325-C339 PolarHBondContact SG-SG 3.28Å; C325-H377 PolarHBondContact N-O 2.99Å |
| 326 | N | 96.6 | Very high | 94.1 | Very high | 59 Ų | 59 | 59 Ų | 59 | 32% | 0.316 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -103.1 | 124.5 | 178.9 | -175.2 | -8.9 | 0 | 0 | 0 | 110.3 | T328 S329 D333 G334 C335 | N326-T328 PolarHBondContact OD1-N 2.84Å; N326-T328 PolarHBondContact OD1-OG1 2.81Å; N326-T328 VanDerWaalsContact OD1-OG1 3.05Å; N326-S329 VanDerWaalsContact ND2-CB 3.33Å; N326-S329 WeakPolarHBondContact ND2-CB 3.48Å; N326-S329 PolarHBondContact OD1-N 2.88Å; N326-D333 HydrophobicContact CB-CB 4.3Å; N326-D333 WeakPolarHBondContact CB-OD2 3.22Å; N326-D333 PolarHBondContact N-O 3.42Å; N326-D333 PolarHBondContact ND2-OD2 2.68Å; N326-G334 CarbonylContact O-C 3.6Å; N326-G334 VanDerWaalsContact O-CA 3.29Å; N326-G334 WeakPolarHBondContact O-CA 3.38Å; N326-C335 PolarHBondContact O-N 2.82Å; N326-C335 PolarHBondContact O-SG 3.25Å; N326-C335 VanDerWaalsContact O-SG 3.41Å |
| 327 | K | 95.8 | Very high | 94.8 | Very high | 124 Ų | 124 | 60.4 Ų | 60.4 | 54% | 0.539 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -75.7 | -26.8 | -179 | 173.9 | 176 | 178.2 | -173.3 | 0 | 113.5 | Y344 H377 | K327-Y344 HydrophobicContact CD-CE2 4.31Å; K327-Y344 WeakPolarHBondContact CD-OH 3.3Å; K327-Y344 WeakPolarHBondContact CG-OH 3.16Å; K327-H377 WeakPolarHBondContact CB-CD2 3.47Å; K327-H377 VanDerWaalsContact CB-NE2 3.34Å; K327-H377 WeakPolarHBondContact CB-NE2 3.32Å |
| 328 | T | 94.9 | Very high | 95.1 | Very high | 127 Ų | 127 | 60.4 Ų | 60.4 | 78% | 0.779 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -94.2 | -22.4 | -176.7 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | N326 | N326-T328 PolarHBondContact OD1-N 2.84Å; N326-T328 PolarHBondContact OD1-OG1 2.81Å; N326-T328 VanDerWaalsContact OD1-OG1 3.05Å |
| 329 | S | 96.1 | Very high | 95.4 | Very high | 35 Ų | 35 | 56.1 Ų | 56.1 | 25% | 0.245 | 32% | 0.315 | C | S | . | . | trans | -74.8 | 137.8 | 177.1 | -177.6 | 0 | 0 | 0 | 0 | 112.6 | N326 G331 D333 G334 | N326-S329 VanDerWaalsContact ND2-CB 3.33Å; N326-S329 WeakPolarHBondContact ND2-CB 3.48Å; N326-S329 PolarHBondContact OD1-N 2.88Å; S329-G331 WeakPolarHBondContact OG-CA 3.02Å; S329-G331 PolarHBondContact OG-N 2.85Å; S329-D333 WeakPolarHBondContact CB-OD1 3.24Å; S329-D333 WeakPolarHBondContact CB-OD2 3Å; S329-D333 VanDerWaalsContact OG-CG 3.25Å; S329-D333 PolarHBondContact OG-OD1 2.04Å; S329-D333 PolarHBondContact OG-OD2 3.14Å; S329-G334 WeakPolarHBondContact O-CA 3.43Å | ||
| 330 | R | 93.3 | Very high | 95.5 | Very high | 240 Ų | 240 | 57.1 Ų | 57.1 | 91% | 0.906 | 32% | 0.32 | S | S | * | . | trans | -95.9 | 6.2 | 165.2 | -58.9 | -177.9 | -177.9 | 179.3 | -0.5 | 112.3 | ||||
| 331 | G | 93.8 | Very high | 95.4 | Very high | 31 Ų | 31 | 60.5 Ų | 60.5 | 32% | 0.32 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -81.1 | -165.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | S329 D333 G334 V337 | S329-G331 WeakPolarHBondContact OG-CA 3.02Å; S329-G331 PolarHBondContact OG-N 2.85Å; G331-D333 VanDerWaalsContact C-N 3.32Å; G331-D333 PolarHBondContact O-N 2.73Å; G331-G334 WeakPolarHBondContact O-CA 3.45Å; G331-G334 PolarHBondContact O-N 2.9Å; G331-V337 WeakPolarHBondContact O-CG2 3.04Å |
| 332 | T | 94.6 | Very high | 95.4 | Very high | 54 Ų | 54 | 60.8 Ų | 60.8 | 33% | 0.331 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -21.7 | -178.6 | 51.4 | 0 | 0 | 0 | 0 | 113.7 | H113 G334 V337 M338 | H113-T332 CarbonylContact O-C 3.51Å; H113-T332 VanDerWaalsContact O-CB 3.26Å; H113-T332 WeakPolarHBondContact O-CB 3.2Å; H113-T332 VanDerWaalsContact O-O 3.04Å; H113-T332 PolarHBondContact O-OG1 3.42Å; H113-T332 VanDerWaalsContact O-OG1 3.11Å; T332-G334 VanDerWaalsContact C-N 3.28Å; T332-V337 HydrophobicContact CG2-CG1 4.41Å; T332-M338 WeakPolarHBondContact O-CE 3.42Å |
| 333 | D | 95.6 | Very high | 95.4 | Very high | 32 Ų | 32 | 59.3 Ų | 59.3 | 17% | 0.171 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -20.5 | 165.5 | 63.6 | -48.1 | 0 | 0 | 0 | 112.9 | H113 N326 S329 G331 | H113-D333 HydrophobicContact CB-CB 3.95Å; H113-D333 PolarHBondContact O-N 3.34Å; N326-D333 HydrophobicContact CB-CB 4.3Å; N326-D333 WeakPolarHBondContact CB-OD2 3.22Å; N326-D333 PolarHBondContact N-O 3.42Å; N326-D333 PolarHBondContact ND2-OD2 2.68Å; S329-D333 WeakPolarHBondContact CB-OD1 3.24Å; S329-D333 WeakPolarHBondContact CB-OD2 3Å; S329-D333 VanDerWaalsContact OG-CG 3.25Å; S329-D333 PolarHBondContact OG-OD1 2.04Å; S329-D333 PolarHBondContact OG-OD2 3.14Å; G331-D333 VanDerWaalsContact C-N 3.32Å; G331-D333 PolarHBondContact O-N 2.73Å |
| 334 | G | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -56.9 | 133.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N326 S329 G331 T332 E336 V337 M338 | N326-G334 CarbonylContact O-C 3.6Å; N326-G334 VanDerWaalsContact O-CA 3.29Å; N326-G334 WeakPolarHBondContact O-CA 3.38Å; S329-G334 WeakPolarHBondContact O-CA 3.43Å; G331-G334 WeakPolarHBondContact O-CA 3.45Å; G331-G334 PolarHBondContact O-N 2.9Å; T332-G334 VanDerWaalsContact C-N 3.28Å; G334-E336 PolarHBondContact O-N 2.95Å; G334-E336 VanDerWaalsContact O-N 3.14Å; G334-V337 PolarHBondContact O-N 3.48Å; G334-M338 WeakPolarHBondContact O-CB 3.47Å; G334-M338 PolarHBondContact O-N 2.89Å |
| 335 | C | 96.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 60.3 Ų | 60.3 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.9 | -31.5 | -175 | -68.8 | 0 | 0 | 0 | 0 | 113.8 | C325 N326 C339 Y344 | C325-C335 HydrophobicContact CB-CB 3.85Å; C325-C335 WeakPolarHBondContact CB-SG 3.33Å; C325-C335 VanDerWaalsContact SG-CA 3.53Å; C325-C335 WeakPolarHBondContact SG-CB 3.29Å; C325-C335 CovalentContact SG-SG 2.04Å; C325-C335 PolarHBondContact SG-SG 2.72Å; N326-C335 PolarHBondContact O-N 2.82Å; N326-C335 PolarHBondContact O-SG 3.25Å; N326-C335 VanDerWaalsContact O-SG 3.41Å; C335-C339 WeakPolarHBondContact O-CA 3.47Å; C335-C339 WeakPolarHBondContact O-CB 3.42Å; C335-C339 PolarHBondContact O-N 2.84Å; C335-C339 PolarHBondContact O-SG 2.71Å; C335-Y344 HydrophobicContact CB-CD1 3.49Å; C335-Y344 VanDerWaalsContact CB-CD1 3.49Å; C335-Y344 HydrophobicContact CB-CE1 3.72Å; C335-Y344 HydrophobicContact CB-CG 4.19Å |
| 336 | E | 94.9 | Very high | 95.5 | Very high | 155 Ų | 155 | 63 Ų | 63 | 72% | 0.724 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59 | -49 | 172.1 | -174.8 | 179.4 | -178.5 | 0 | 0 | 111.8 | G334 C340 G341 | G334-E336 PolarHBondContact O-N 2.95Å; G334-E336 VanDerWaalsContact O-N 3.14Å; E336-C340 PolarHBondContact O-N 3.36Å; E336-C340 VanDerWaalsContact O-N 3.16Å; E336-G341 PolarHBondContact O-N 2.8Å |
| 337 | V | 95.3 | Very high | 95.4 | Very high | 45 Ų | 45 | 63.7 Ų | 63.7 | 27% | 0.273 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -78.8 | -43.1 | -176.5 | -176.4 | 0 | 0 | 0 | 0 | 111.8 | R115 G331 T332 G334 | R115-V337 VanDerWaalsContact CZ-O 3.28Å; R115-V337 PolarHBondContact NE-O 3.35Å; R115-V337 PolarHBondContact NH2-O 2.91Å; G331-V337 WeakPolarHBondContact O-CG2 3.04Å; T332-V337 HydrophobicContact CG2-CG1 4.41Å; G334-V337 PolarHBondContact O-N 3.48Å |
| 338 | M | 96.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.015 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.1 | -45.6 | -179.9 | -173.6 | 99.4 | -54.2 | 0 | 0 | 111.5 | R115 T320 R323 C325 T332 G334 C379 | R115-M338 HydrophobicContact CG-CE 4.21Å; T320-M338 WeakPolarHBondContact CB-O 3.3Å; T320-M338 WeakPolarHBondContact CG2-O 3.46Å; T320-M338 PolarHBondContact OG1-O 3Å; R323-M338 PolarHBondContact NH2-SD 3.16Å; C325-M338 HydrophobicContact CB-CB 3.93Å; C325-M338 HydrophobicContact CB-CG 4.01Å; T332-M338 WeakPolarHBondContact O-CE 3.42Å; G334-M338 WeakPolarHBondContact O-CB 3.47Å; G334-M338 PolarHBondContact O-N 2.89Å; M338-C379 VanDerWaalsContact CG-SG 3.59Å |
| 339 | C | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -89.6 | -3.1 | -176.1 | -43.6 | 0 | 0 | 0 | 0 | 113.4 | C325 C335 G341 R342 G343 C379 | C325-C339 PolarHBondContact SG-SG 3.28Å; C335-C339 WeakPolarHBondContact O-CA 3.47Å; C335-C339 WeakPolarHBondContact O-CB 3.42Å; C335-C339 PolarHBondContact O-N 2.84Å; C335-C339 PolarHBondContact O-SG 2.71Å; C339-G341 PolarHBondContact O-N 3.06Å; C339-R342 WeakPolarHBondContact O-CB 3.32Å; C339-R342 WeakPolarHBondContact O-CG 3.1Å; C339-R342 PolarHBondContact O-N 3.47Å; C339-R342 VanDerWaalsContact O-N 3.17Å; C339-R342 PolarHBondContact O-NH1 2.67Å; C339-G343 VanDerWaalsContact CB-O 3.32Å; C339-G343 WeakPolarHBondContact CB-O 3.41Å; C339-C379 WeakPolarHBondContact CA-SG 3.35Å; C339-C379 HydrophobicContact CB-CB 3.59Å; C339-C379 WeakPolarHBondContact CB-SG 3.44Å; C339-C379 PolarHBondContact N-SG 2.88Å; C339-C379 VanDerWaalsContact N-SG 3.38Å; C339-C379 WeakPolarHBondContact SG-CA 3.43Å; C339-C379 WeakPolarHBondContact SG-CB 3.29Å; C339-C379 CovalentContact SG-SG 2.04Å; C339-C379 PolarHBondContact SG-SG 3.1Å |
| 340 | C | 95.4 | Very high | 95.3 | Very high | 34 Ų | 34 | 66.4 Ų | 66.4 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 51 | 173.8 | -45.7 | 0 | 0 | 0 | 0 | 113.1 | R115 C309 E336 R342 | R115-C340 PolarHBondContact NE-SG 3.15Å; C309-C340 HydrophobicContact CB-CB 3.68Å; C309-C340 WeakPolarHBondContact CB-SG 3.37Å; C309-C340 WeakPolarHBondContact SG-CB 3.05Å; C309-C340 CovalentContact SG-SG 2.02Å; C309-C340 PolarHBondContact SG-SG 2.02Å; E336-C340 PolarHBondContact O-N 3.36Å; E336-C340 VanDerWaalsContact O-N 3.16Å; C340-R342 PolarHBondContact O-N 3.37Å |
| 341 | G | 92.9 | Very high | 95.3 | Very high | 71 Ų | 71 | 59.5 Ų | 59.5 | 73% | 0.732 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | -8.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | E336 C339 G343 | E336-G341 PolarHBondContact O-N 2.8Å; C339-G341 PolarHBondContact O-N 3.06Å; G341-G343 PolarHBondContact O-N 2.97Å; G341-G343 VanDerWaalsContact O-N 3.13Å |
| 342 | R | 94.5 | Very high | 95.4 | Very high | 54 Ų | 54 | 63 Ų | 63 | 20% | 0.204 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -70.1 | -7.4 | 179.4 | -55.1 | -169.6 | -52.1 | -85.2 | -4.1 | 114.3 | C309 T320 C339 C340 K380 | C309-R342 PolarHBondContact O-NH1 2.83Å; T320-R342 PolarHBondContact OG1-NH1 2.72Å; T320-R342 PolarHBondContact OG1-NH2 2.75Å; C339-R342 WeakPolarHBondContact O-CB 3.32Å; C339-R342 WeakPolarHBondContact O-CG 3.1Å; C339-R342 PolarHBondContact O-N 3.47Å; C339-R342 VanDerWaalsContact O-N 3.17Å; C339-R342 PolarHBondContact O-NH1 2.67Å; C340-R342 PolarHBondContact O-N 3.37Å; R342-K380 HydrophobicContact CB-CB 4.41Å; R342-K380 VanDerWaalsContact CZ-O 3.3Å; R342-K380 PolarHBondContact NE-O 3.31Å; R342-K380 PolarHBondContact NH2-O 2.83Å |
| 343 | G | 94.8 | Very high | 95.4 | Very high | 31 Ų | 31 | 62.4 Ų | 62.4 | 32% | 0.32 | 34% | 0.337 | S | S | . | . | trans | 72.4 | -174.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | C339 G341 K380 | C339-G343 VanDerWaalsContact CB-O 3.32Å; C339-G343 WeakPolarHBondContact CB-O 3.41Å; G341-G343 PolarHBondContact O-N 2.97Å; G341-G343 VanDerWaalsContact O-N 3.13Å; G343-K380 WeakPolarHBondContact O-CB 3.31Å; G343-K380 PolarHBondContact O-N 3.08Å | ||
| 344 | Y | 96.8 | Very high | 95.4 | Very high | 71 Ų | 71 | 67.1 Ų | 67.1 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 160 | -177.4 | 52.8 | -84.1 | 0 | 0 | 0 | 110.2 | K327 C335 H377 T378 K380 | K327-Y344 HydrophobicContact CD-CE2 4.31Å; K327-Y344 WeakPolarHBondContact CD-OH 3.3Å; K327-Y344 WeakPolarHBondContact CG-OH 3.16Å; C335-Y344 HydrophobicContact CB-CD1 3.49Å; C335-Y344 VanDerWaalsContact CB-CD1 3.49Å; C335-Y344 HydrophobicContact CB-CE1 3.72Å; C335-Y344 HydrophobicContact CB-CG 4.19Å; Y344-H377 HydrophobicContact CD2-CB 3.71Å; Y344-H377 AromaticContact CD2-CG 3.97Å; Y344-H377 AromaticContact CD2-ND1 3.87Å; Y344-H377 HydrophobicContact CE2-CB 4.19Å; Y344-H377 AromaticContact CE2-CG 3.97Å; Y344-H377 AromaticContact CE2-ND1 3.66Å; Y344-H377 HydrophobicContact CG-CB 4.33Å; Y344-T378 CarbonylContact C-O 3.5Å; Y344-T378 WeakPolarHBondContact CA-O 3.43Å; Y344-T378 VanDerWaalsContact CB-O 3.3Å; Y344-T378 WeakPolarHBondContact CB-O 3.5Å; Y344-K380 WeakPolarHBondContact O-CE 3.43Å; Y344-K380 PolarHBondContact O-NZ 3.05Å |
| 345 | D | 96.3 | Very high | 95.2 | Very high | 83 Ų | 83 | 68.2 Ų | 68.2 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 156.6 | 162 | -67.6 | -58.1 | 0 | 0 | 0 | 109.4 | H377 T378 K380 | D345-H377 CarbonylContact O-C 3.58Å; D345-H377 WeakPolarHBondContact O-CA 3.26Å; D345-T378 PolarHBondContact N-O 3.13Å; D345-T378 PolarHBondContact O-N 3.39Å; D345-K380 WeakPolarHBondContact OD1-CE 3.42Å; D345-K380 IonicContact OD1-NZ 3.9Å; D345-K380 PolarHBondContact OD1-NZ 3.2Å; D345-K380 WeakPolarHBondContact OD2-CE 3.27Å; D345-K380 WeakPolarHBondContact OD2-CG 3.33Å |
| 346 | T | 96.7 | Very high | 95.2 | Very high | 67 Ų | 67 | 73 Ų | 73 | 41% | 0.411 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 122.5 | 177.4 | -58.6 | 0 | 0 | 0 | 0 | 108.7 | D375 I376 H377 | T346-D375 HydrophobicContact CG2-CB 3.97Å; T346-I376 WeakPolarHBondContact CA-O 3.49Å; T346-H377 WeakPolarHBondContact CG2-ND1 3.29Å; T346-H377 PolarHBondContact OG1-ND1 3.36Å |
| 347 | T | 95.4 | Very high | 95.2 | Very high | 73 Ų | 73 | 69 Ų | 69 | 45% | 0.448 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 116.2 | 179.5 | 50.7 | 0 | 0 | 0 | 0 | 108.4 | I376 | T347-I376 PolarHBondContact N-O 3.39Å; T347-I376 PolarHBondContact O-N 2.88Å; T347-I376 PolarHBondContact OG1-O 3.14Å |
| 348 | R | 95 | Very high | 95.2 | Very high | 178 Ų | 178 | 73.5 Ų | 73.5 | 67% | 0.672 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 127.7 | 173.2 | -164.5 | 165.3 | -157.6 | -176.9 | 6 | 109.5 | A373 V374 D375 | R348-A373 HydrophobicContact CG-CB 4.47Å; R348-A373 PolarHBondContact NE-O 3.37Å; R348-A373 PolarHBondContact NH2-O 3.45Å; R348-V374 WeakPolarHBondContact CA-O 3.35Å; R348-D375 WeakPolarHBondContact CB-OD1 3.24Å; R348-D375 WeakPolarHBondContact CD-OD1 3.47Å; R348-D375 VanDerWaalsContact CG-OD1 3.25Å; R348-D375 WeakPolarHBondContact CG-OD1 3.5Å; R348-D375 IonicContact NE-OD1 3.44Å |
| 349 | V | 94.7 | Very high | 95.1 | Very high | 53 Ų | 53 | 79.1 Ų | 79.1 | 32% | 0.321 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 147 | -179.6 | -59.4 | 0 | 0 | 0 | 0 | 110.2 | Q351 A373 V374 I376 | V349-Q351 PolarHBondContact O-N 3.11Å; V349-A373 CarbonylContact O-C 3.5Å; V349-V374 PolarHBondContact N-O 3.3Å; V349-V374 PolarHBondContact O-N 3.28Å; V349-I376 HydrophobicContact CG2-CD1 3.57Å; V349-I376 HydrophobicContact CG2-CG1 3.94Å |
| 350 | M | 95.1 | Very high | 94.9 | Very high | 113 Ų | 113 | 83.8 Ų | 83.8 | 56% | 0.557 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 115.9 | 165.6 | -60.8 | -54 | -61.1 | 0 | 0 | 108 | E371 A373 | M350-E371 HydrophobicContact CE-CB 3.61Å; M350-A373 HydrophobicContact CE-CB 4.32Å; M350-A373 HydrophobicContact SD-CB 3.68Å |
| 351 | Q | 93.3 | Very high | 94.4 | Very high | 95 Ų | 95 | 93.9 Ų | 93.9 | 44% | 0.444 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126.6 | 173.5 | -178.2 | 173.6 | -20.8 | 0 | 0 | 109.2 | V349 T353 E372 V374 | V349-Q351 PolarHBondContact O-N 3.11Å; Q351-T353 HydrophobicContact CG-CG2 4.15Å; Q351-E372 PolarHBondContact N-O 2.98Å; Q351-E372 PolarHBondContact O-N 2.87Å; Q351-V374 HydrophobicContact CB-CG2 4.28Å |
| 352 | I | 94.8 | Very high | 93.7 | Very high | 103 Ų | 103 | 95.1 Ų | 95.1 | 53% | 0.528 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 127.2 | 172.2 | -54.5 | 179.1 | 0 | 0 | 0 | 108.7 | D369 C370 E371 | I352-D369 HydrophobicContact CG2-CB 3.69Å; I352-D369 WeakPolarHBondContact CG2-OD1 3.49Å; I352-C370 CarbonylContact C-O 3.5Å; I352-C370 WeakPolarHBondContact CA-O 3.49Å; I352-E371 HydrophobicContact CG1-CG 4.41Å |
| 353 | T | 94.7 | Very high | 93.4 | Very high | 42 Ų | 42 | 98.4 Ų | 98.4 | 26% | 0.258 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 150.4 | 177.1 | 66.8 | 0 | 0 | 0 | 0 | 110.8 | Q351 C355 C370 | Q351-T353 HydrophobicContact CG-CG2 4.15Å; T353-C355 PolarHBondContact O-N 3.32Å; T353-C370 PolarHBondContact N-O 3.37Å; T353-C370 PolarHBondContact O-N 3.08Å |
| 354 | K | 95.1 | Very high | 93.3 | Very high | 131 Ų | 131 | 98.6 Ų | 98.6 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 117.7 | 175.4 | -68 | -60.2 | -175 | -174.3 | 0 | 109.7 | C367 K368 D369 | K354-C367 HydrophobicContact CB-CB 3.95Å; K354-C367 HydrophobicContact CD-CB 4.14Å; K354-C367 HydrophobicContact CG-CB 4.47Å; K354-K368 WeakPolarHBondContact CA-O 3.14Å; K354-D369 WeakPolarHBondContact CD-OD1 3.04Å; K354-D369 WeakPolarHBondContact CE-OD1 3.27Å; K354-D369 IonicContact NZ-OD1 2.74Å; K354-D369 PolarHBondContact NZ-OD1 3.45Å; K354-D369 IonicContact NZ-OD2 2.68Å; K354-D369 PolarHBondContact NZ-OD2 3.31Å |
| 355 | C | 94.9 | Very high | 93.2 | Very high | 23 Ų | 23 | 99.7 Ų | 99.7 | 16% | 0.155 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 169.6 | -172.1 | 66.3 | 0 | 0 | 0 | 0 | 111.7 | T353 C357 C367 K368 C370 | T353-C355 PolarHBondContact O-N 3.32Å; C355-C357 PolarHBondContact O-N 2.84Å; C355-C367 WeakPolarHBondContact O-CA 3.3Å; C355-C367 WeakPolarHBondContact O-CB 3.08Å; C355-K368 PolarHBondContact N-O 3.29Å; C355-K368 PolarHBondContact O-N 2.94Å; C355-C370 HydrophobicContact CB-CB 3.69Å; C355-C370 WeakPolarHBondContact CB-SG 3.47Å; C355-C370 WeakPolarHBondContact SG-CB 3.42Å; C355-C370 PolarHBondContact SG-N 3.45Å; C355-C370 VanDerWaalsContact SG-N 3.39Å; C355-C370 CovalentContact SG-SG 2.02Å; C355-C370 PolarHBondContact SG-SG 3.42Å |
| 356 | E | 95.1 | Very high | 93.1 | Very high | 108 Ų | 108 | 100.5 Ų | 100.5 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.3 | 32.8 | 178.9 | -67.7 | -171.5 | -131 | 0 | 0 | 114.8 | K358 K368 | E356-K358 PolarHBondContact O-N 3.41Å; E356-K368 HydrophobicContact CB-CD 4.22Å; E356-K368 HydrophobicContact CB-CG 4.45Å; E356-K368 HydrophobicContact CG-CD 4.4Å; E356-K368 IonicContact OE1-NZ 2.84Å; E356-K368 PolarHBondContact OE1-NZ 2.8Å; E356-K368 VanDerWaalsContact OE2-CE 3.24Å; E356-K368 WeakPolarHBondContact OE2-CE 3.03Å; E356-K368 IonicContact OE2-NZ 2.78Å; E356-K368 PolarHBondContact OE2-NZ 3.01Å |
| 357 | C | 95.8 | Very high | 93.2 | Very high | 70 Ų | 70 | 99.4 Ų | 99.4 | 47% | 0.473 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 118.4 | -175.6 | -63.7 | 0 | 0 | 0 | 0 | 112.2 | C355 V365 E366 C367 | C355-C357 PolarHBondContact O-N 2.84Å; C357-V365 HydrophobicContact CB-CG1 3.99Å; C357-E366 CarbonylContact C-O 3.56Å; C357-E366 WeakPolarHBondContact CA-O 3.35Å; C357-C367 HydrophobicContact CB-CB 4.08Å; C357-C367 WeakPolarHBondContact CB-SG 3.5Å; C357-C367 WeakPolarHBondContact SG-CB 3.3Å; C357-C367 CovalentContact SG-SG 2.04Å; C357-C367 PolarHBondContact SG-SG 3.15Å |
| 358 | K | 94.7 | Very high | 93.2 | Very high | 141 Ų | 141 | 101.4 Ų | 101.4 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.2 | 177.3 | -69.1 | 174.1 | -171.2 | 179.4 | 0 | 109.9 | E356 E366 | E356-K358 PolarHBondContact O-N 3.41Å; K358-E366 PolarHBondContact N-O 3.34Å; K358-E366 PolarHBondContact O-N 3.38Å |
| 359 | F | 95.4 | Very high | 93.3 | Very high | 120 Ų | 120 | 97.5 Ų | 97.5 | 53% | 0.526 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.9 | 169.6 | -174.5 | -98.3 | 0 | 0 | 0 | 109.4 | W361 A364 V365 | F359-W361 HydrophobicContact CD1-CE3 4.3Å; F359-W361 AromaticContact CE1-CE3 3.7Å; F359-W361 HydrophobicContact CE1-CE3 3.7Å; F359-W361 HydrophobicContact CE1-CZ3 4.16Å; F359-A364 WeakPolarHBondContact CA-O 3.04Å; F359-V365 HydrophobicContact CD2-CG2 3.83Å |
| 360 | K | 92.2 | Very high | 93.4 | Very high | 99 Ų | 99 | 97.2 Ų | 97.2 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 136.1 | 166.4 | -73 | -174.2 | 174.8 | 171.1 | 0 | 108.7 | C362 C363 A364 E366 | K360-C362 PolarHBondContact O-N 3.08Å; K360-C363 PolarHBondContact O-N 2.93Å; K360-A364 HydrophobicContact CB-CB 4.45Å; K360-A364 PolarHBondContact N-O 3.47Å; K360-E366 WeakPolarHBondContact CD-OE1 3.43Å; K360-E366 VanDerWaalsContact CE-OE1 3.27Å; K360-E366 WeakPolarHBondContact CE-OE1 3.42Å; K360-E366 WeakPolarHBondContact CE-OE2 3.17Å; K360-E366 IonicContact NZ-OE1 2.67Å; K360-E366 PolarHBondContact NZ-OE1 3.37Å; K360-E366 IonicContact NZ-OE2 2.72Å; K360-E366 PolarHBondContact NZ-OE2 3.05Å |
| 361 | W | 83.7 | Confident | 93.4 | Very high | 245 Ų | 245 | 98.4 Ų | 98.4 | 93% | 0.928 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 60.3 | -178.2 | -167.8 | -99.4 | 0 | 0 | 0 | 112.7 | F359 | F359-W361 HydrophobicContact CD1-CE3 4.3Å; F359-W361 AromaticContact CE1-CE3 3.7Å; F359-W361 HydrophobicContact CE1-CE3 3.7Å; F359-W361 HydrophobicContact CE1-CZ3 4.16Å |
| 362 | C | 78.1 | Confident | 93.5 | Very high | 98 Ų | 98 | 99.2 Ų | 99.2 | 66% | 0.662 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -160.1 | 29.1 | 174.1 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | K360 | K360-C362 PolarHBondContact O-N 3.08Š|
| 363 | C | 88.3 | Confident | 93.4 | Very high | 122 Ų | 122 | 96 Ų | 96 | 82% | 0.824 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 23.5 | 179 | -56.1 | 0 | 0 | 0 | 0 | 116.8 | K360 | K360-C363 PolarHBondContact O-N 2.93Š|
| 364 | A | 92.4 | Very high | 93.4 | Very high | 36 Ų | 36 | 96.1 Ų | 96.1 | 30% | 0.298 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 144 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F359 K360 | F359-A364 WeakPolarHBondContact CA-O 3.04Å; K360-A364 HydrophobicContact CB-CB 4.45Å; K360-A364 PolarHBondContact N-O 3.47Å |
| 365 | V | 95.3 | Very high | 93.4 | Very high | 93 Ų | 93 | 93.6 Ų | 93.6 | 56% | 0.564 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.4 | 166.7 | 177.6 | 0 | 0 | 0 | 0 | 108.1 | C357 F359 | C357-V365 HydrophobicContact CB-CG1 3.99Å; F359-V365 HydrophobicContact CD2-CG2 3.83Å |
| 366 | E | 95.4 | Very high | 93.5 | Very high | 101 Ų | 101 | 94.9 Ų | 94.9 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 121.6 | 173.7 | -75.4 | 175.6 | -160.8 | 0 | 0 | 109.6 | C357 K358 K360 | C357-E366 CarbonylContact C-O 3.56Å; C357-E366 WeakPolarHBondContact CA-O 3.35Å; K358-E366 PolarHBondContact N-O 3.34Å; K358-E366 PolarHBondContact O-N 3.38Å; K360-E366 WeakPolarHBondContact CD-OE1 3.43Å; K360-E366 VanDerWaalsContact CE-OE1 3.27Å; K360-E366 WeakPolarHBondContact CE-OE1 3.42Å; K360-E366 WeakPolarHBondContact CE-OE2 3.17Å; K360-E366 IonicContact NZ-OE1 2.67Å; K360-E366 PolarHBondContact NZ-OE1 3.37Å; K360-E366 IonicContact NZ-OE2 2.72Å; K360-E366 PolarHBondContact NZ-OE2 3.05Å |
| 367 | C | 97 | Very high | 93.6 | Very high | 44 Ų | 44 | 90.8 Ų | 90.8 | 30% | 0.297 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 147.2 | 175 | -52 | 0 | 0 | 0 | 0 | 109.3 | K354 C355 C357 | K354-C367 HydrophobicContact CB-CB 3.95Å; K354-C367 HydrophobicContact CD-CB 4.14Å; K354-C367 HydrophobicContact CG-CB 4.47Å; C355-C367 WeakPolarHBondContact O-CA 3.3Å; C355-C367 WeakPolarHBondContact O-CB 3.08Å; C357-C367 HydrophobicContact CB-CB 4.08Å; C357-C367 WeakPolarHBondContact CB-SG 3.5Å; C357-C367 WeakPolarHBondContact SG-CB 3.3Å; C357-C367 CovalentContact SG-SG 2.04Å; C357-C367 PolarHBondContact SG-SG 3.15Å |
| 368 | K | 96.9 | Very high | 93.6 | Very high | 114 Ų | 114 | 89.2 Ų | 89.2 | 50% | 0.496 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 161.1 | 163.2 | -66.6 | 178.8 | -176.9 | 170.5 | 0 | 109.9 | K354 C355 E356 | K354-K368 WeakPolarHBondContact CA-O 3.14Å; C355-K368 PolarHBondContact N-O 3.29Å; C355-K368 PolarHBondContact O-N 2.94Å; E356-K368 HydrophobicContact CB-CD 4.22Å; E356-K368 HydrophobicContact CB-CG 4.45Å; E356-K368 HydrophobicContact CG-CD 4.4Å; E356-K368 IonicContact OE1-NZ 2.84Å; E356-K368 PolarHBondContact OE1-NZ 2.8Å; E356-K368 VanDerWaalsContact OE2-CE 3.24Å; E356-K368 WeakPolarHBondContact OE2-CE 3.03Å; E356-K368 IonicContact OE2-NZ 2.78Å; E356-K368 PolarHBondContact OE2-NZ 3.01Å |
| 369 | D | 96.8 | Very high | 93.7 | Very high | 97 Ų | 97 | 82.7 Ų | 82.7 | 52% | 0.519 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 125 | 159.1 | -73.4 | -66.2 | 0 | 0 | 0 | 108.6 | I352 K354 | I352-D369 HydrophobicContact CG2-CB 3.69Å; I352-D369 WeakPolarHBondContact CG2-OD1 3.49Å; K354-D369 WeakPolarHBondContact CD-OD1 3.04Å; K354-D369 WeakPolarHBondContact CE-OD1 3.27Å; K354-D369 IonicContact NZ-OD1 2.74Å; K354-D369 PolarHBondContact NZ-OD1 3.45Å; K354-D369 IonicContact NZ-OD2 2.68Å; K354-D369 PolarHBondContact NZ-OD2 3.31Å |
| 370 | C | 96 | Very high | 93.8 | Very high | 47 Ų | 47 | 80.5 Ų | 80.5 | 32% | 0.318 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.5 | 170.1 | -74.6 | 0 | 0 | 0 | 0 | 109.1 | I352 T353 C355 | I352-C370 CarbonylContact C-O 3.5Å; I352-C370 WeakPolarHBondContact CA-O 3.49Å; T353-C370 PolarHBondContact N-O 3.37Å; T353-C370 PolarHBondContact O-N 3.08Å; C355-C370 HydrophobicContact CB-CB 3.69Å; C355-C370 WeakPolarHBondContact CB-SG 3.47Å; C355-C370 WeakPolarHBondContact SG-CB 3.42Å; C355-C370 PolarHBondContact SG-N 3.45Å; C355-C370 VanDerWaalsContact SG-N 3.39Å; C355-C370 CovalentContact SG-SG 2.02Å; C355-C370 PolarHBondContact SG-SG 3.42Å |
| 371 | E | 95.7 | Very high | 93.7 | Very high | 137 Ų | 137 | 79 Ų | 79 | 64% | 0.64 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.3 | 171.5 | -52.2 | -166.6 | 168.5 | 0 | 0 | 110.2 | M350 I352 | M350-E371 HydrophobicContact CE-CB 3.61Å; I352-E371 HydrophobicContact CG1-CG 4.41Å |
| 372 | E | 94.4 | Very high | 93.9 | Very high | 112 Ų | 112 | 70.5 Ų | 70.5 | 52% | 0.523 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.1 | 179.4 | -169.9 | 177.8 | -179.5 | 0 | 0 | 110.9 | Q351 V374 | Q351-E372 PolarHBondContact N-O 2.98Å; Q351-E372 PolarHBondContact O-N 2.87Å; E372-V374 HydrophobicContact CB-CG2 4.2Å; E372-V374 HydrophobicContact CG-CG2 3.89Å; E372-V374 PolarHBondContact O-N 2.91Å |
| 373 | A | 94.1 | Very high | 93.9 | Very high | 36 Ų | 36 | 75.4 Ų | 75.4 | 30% | 0.298 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 78.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R348 V349 M350 | R348-A373 HydrophobicContact CG-CB 4.47Å; R348-A373 PolarHBondContact NE-O 3.37Å; R348-A373 PolarHBondContact NH2-O 3.45Å; V349-A373 CarbonylContact O-C 3.5Å; M350-A373 HydrophobicContact CE-CB 4.32Å; M350-A373 HydrophobicContact SD-CB 3.68Å |
| 374 | V | 94.5 | Very high | 92.9 | Very high | 44 Ų | 44 | 77.7 Ų | 77.7 | 27% | 0.267 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 135.4 | -172.6 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | R348 V349 Q351 E372 | R348-V374 WeakPolarHBondContact CA-O 3.35Å; V349-V374 PolarHBondContact N-O 3.3Å; V349-V374 PolarHBondContact O-N 3.28Å; Q351-V374 HydrophobicContact CB-CG2 4.28Å; E372-V374 HydrophobicContact CB-CG2 4.2Å; E372-V374 HydrophobicContact CG-CG2 3.89Å; E372-V374 PolarHBondContact O-N 2.91Å |
| 375 | D | 95.1 | Very high | 91.1 | Very high | 79 Ų | 79 | 79.7 Ų | 79.7 | 42% | 0.422 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 114.1 | 172.3 | -77.1 | -3.8 | 0 | 0 | 0 | 110.8 | T346 R348 | T346-D375 HydrophobicContact CG2-CB 3.97Å; R348-D375 WeakPolarHBondContact CB-OD1 3.24Å; R348-D375 WeakPolarHBondContact CD-OD1 3.47Å; R348-D375 VanDerWaalsContact CG-OD1 3.25Å; R348-D375 WeakPolarHBondContact CG-OD1 3.5Å; R348-D375 IonicContact NE-OD1 3.44Å |
| 376 | I | 96 | Very high | 89 | Confident | 50 Ų | 50 | 81.6 Ų | 81.6 | 26% | 0.256 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 126.3 | 172 | -64.1 | -178 | 0 | 0 | 0 | 109.5 | V324 T346 T347 V349 | V324-I376 HydrophobicContact CG1-CG2 4.12Å; V324-I376 HydrophobicContact CG2-CG2 3.97Å; T346-I376 WeakPolarHBondContact CA-O 3.49Å; T347-I376 PolarHBondContact N-O 3.39Å; T347-I376 PolarHBondContact O-N 2.88Å; T347-I376 PolarHBondContact OG1-O 3.14Å; V349-I376 HydrophobicContact CG2-CD1 3.57Å; V349-I376 HydrophobicContact CG2-CG1 3.94Å |
| 377 | H | 97.3 | Very high | 86.7 | Confident | 22 Ų | 22 | 86.5 Ų | 86.5 | 10% | 0.102 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.4 | 175.6 | -51.7 | -59.6 | 0 | 0 | 0 | 110.7 | V324 C325 K327 Y344 D345 T346 | V324-H377 CarbonylContact C-O 3.47Å; V324-H377 VanDerWaalsContact CA-O 3.3Å; V324-H377 WeakPolarHBondContact CA-O 3.48Å; C325-H377 PolarHBondContact N-O 2.99Å; K327-H377 WeakPolarHBondContact CB-CD2 3.47Å; K327-H377 VanDerWaalsContact CB-NE2 3.34Å; K327-H377 WeakPolarHBondContact CB-NE2 3.32Å; Y344-H377 HydrophobicContact CD2-CB 3.71Å; Y344-H377 AromaticContact CD2-CG 3.97Å; Y344-H377 AromaticContact CD2-ND1 3.87Å; Y344-H377 HydrophobicContact CE2-CB 4.19Å; Y344-H377 AromaticContact CE2-CG 3.97Å; Y344-H377 AromaticContact CE2-ND1 3.66Å; Y344-H377 HydrophobicContact CG-CB 4.33Å; D345-H377 CarbonylContact O-C 3.58Å; D345-H377 WeakPolarHBondContact O-CA 3.26Å; T346-H377 WeakPolarHBondContact CG2-ND1 3.29Å; T346-H377 PolarHBondContact OG1-ND1 3.36Å |
| 378 | T | 97 | Very high | 84.4 | Confident | 36 Ų | 36 | 90.7 Ų | 90.7 | 22% | 0.221 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 128.6 | -174.2 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | G322 R323 Y344 D345 K380 | G322-T378 VanDerWaalsContact C-CG2 3.47Å; R323-T378 CarbonylContact O-C 3.6Å; R323-T378 WeakPolarHBondContact O-CA 3Å; Y344-T378 CarbonylContact C-O 3.5Å; Y344-T378 WeakPolarHBondContact CA-O 3.43Å; Y344-T378 VanDerWaalsContact CB-O 3.3Å; Y344-T378 WeakPolarHBondContact CB-O 3.5Å; D345-T378 PolarHBondContact N-O 3.13Å; D345-T378 PolarHBondContact O-N 3.39Å; T378-K380 PolarHBondContact O-N 3.32Å |
| 379 | C | 96.9 | Very high | 81.9 | Confident | 4 Ų | 4 | 92.4 Ų | 92.4 | 3% | 0.027 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 131.1 | -174.8 | -69.4 | 0 | 0 | 0 | 0 | 114 | T320 G322 R323 M338 C339 | T320-C379 WeakPolarHBondContact O-CB 3.49Å; G322-C379 PolarHBondContact N-O 2.9Å; R323-C379 PolarHBondContact O-N 2.84Å; M338-C379 VanDerWaalsContact CG-SG 3.59Å; C339-C379 WeakPolarHBondContact CA-SG 3.35Å; C339-C379 HydrophobicContact CB-CB 3.59Å; C339-C379 WeakPolarHBondContact CB-SG 3.44Å; C339-C379 PolarHBondContact N-SG 2.88Å; C339-C379 VanDerWaalsContact N-SG 3.38Å; C339-C379 WeakPolarHBondContact SG-CA 3.43Å; C339-C379 WeakPolarHBondContact SG-CB 3.29Å; C339-C379 CovalentContact SG-SG 2.04Å; C339-C379 PolarHBondContact SG-SG 3.1Å |
| 380 | K | 96 | Very high | 79.3 | Confident | 75 Ų | 75 | 96.6 Ų | 96.6 | 33% | 0.326 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -63 | 151.1 | -179.2 | -82.9 | 171.1 | 166.5 | 147.7 | 0 | 113.3 | R342 G343 Y344 D345 T378 | R342-K380 HydrophobicContact CB-CB 4.41Å; R342-K380 VanDerWaalsContact CZ-O 3.3Å; R342-K380 PolarHBondContact NE-O 3.31Å; R342-K380 PolarHBondContact NH2-O 2.83Å; G343-K380 WeakPolarHBondContact O-CB 3.31Å; G343-K380 PolarHBondContact O-N 3.08Å; Y344-K380 WeakPolarHBondContact O-CE 3.43Å; Y344-K380 PolarHBondContact O-NZ 3.05Å; D345-K380 WeakPolarHBondContact OD1-CE 3.42Å; D345-K380 IonicContact OD1-NZ 3.9Å; D345-K380 PolarHBondContact OD1-NZ 3.2Å; D345-K380 WeakPolarHBondContact OD2-CE 3.27Å; D345-K380 WeakPolarHBondContact OD2-CG 3.33Å; T378-K380 PolarHBondContact O-N 3.32Å |
| 381 | A | 91.8 | Very high | 76.7 | Confident | 68 Ų | 68 | 103.9 Ų | 103.9 | 56% | 0.562 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -65 | 157.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A321 | A321-A381 HydrophobicContact CB-CB 4.41Š|
| 382 | P | 86.7 | Confident | 75.7 | Confident | 65 Ų | 65 | 102.3 Ų | 102.3 | 42% | 0.422 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -60 | 137.5 | 166.5 | -19.4 | 33 | 0 | 0 | 0 | 110.5 | L310 R384 | L310-P382 HydrophobicContact CD2-CB 4.11Å; L310-P382 HydrophobicContact CD2-CG 3.68Å; P382-R384 PolarHBondContact O-N 3.33Å |
| 383 | K | 78.8 | Confident | 74.7 | Confident | 202 Ų | 202 | 101.7 Ų | 101.7 | 88% | 0.878 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 132.5 | 163.6 | -65.3 | -174.2 | 178.4 | -174.8 | 0 | 107.8 | ||
| 384 | R | 66.6 | Low | 73.7 | Confident | 170 Ų | 170 | 105.4 Ų | 105.4 | 64% | 0.642 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 146.6 | 173 | -62.7 | -169.9 | -172.7 | 179.8 | 1.6 | 109.8 | P382 E386 W387 | P382-R384 PolarHBondContact O-N 3.33Å; R384-E386 HydrophobicContact CB-CB 4.43Å; R384-E386 WeakPolarHBondContact CD-OE2 3.33Å; R384-E386 IonicContact CZ-OE2 3.52Å; R384-E386 IonicContact NE-OE2 3.42Å; R384-E386 IonicContact NH1-OE2 2.71Å; R384-E386 PolarHBondContact NH1-OE2 2.95Å; R384-E386 PolarHBondContact O-N 3.4Å; R384-W387 PolarHBondContact O-N 3.36Å |
| 385 | A | 55.8 | Low | 72.4 | Confident | 77 Ų | 77 | 109 Ų | 109 | 64% | 0.636 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -59.1 | -27.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | W387 L388 | A385-W387 PolarHBondContact O-N 2.96Å; A385-L388 PolarHBondContact O-N 2.88Å; A385-L388 VanDerWaalsContact O-N 3.07Å |
| 386 | E | 49.9 | Very low | 71 | Confident | 133 Ų | 133 | 110.9 Ų | 110.9 | 62% | 0.621 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -56.1 | -8.8 | 175.3 | -57.2 | 174.2 | 120.4 | 0 | 0 | 115 | R384 | R384-E386 HydrophobicContact CB-CB 4.43Å; R384-E386 WeakPolarHBondContact CD-OE2 3.33Å; R384-E386 IonicContact CZ-OE2 3.52Å; R384-E386 IonicContact NE-OE2 3.42Å; R384-E386 IonicContact NH1-OE2 2.71Å; R384-E386 PolarHBondContact NH1-OE2 2.95Å; R384-E386 PolarHBondContact O-N 3.4Å |
| 387 | W | 48.2 | Very low | 69.4 | Low | 204 Ų | 204 | 114.9 Ų | 114.9 | 77% | 0.773 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -110.9 | 16.3 | 179.4 | -69.1 | 86 | 0 | 0 | 0 | 114.1 | R384 A385 | R384-W387 PolarHBondContact O-N 3.36Å; A385-W387 PolarHBondContact O-N 2.96Å |
| 388 | L | 47.7 | Very low | 67.4 | Low | 133 Ų | 133 | 121.6 Ų | 121.6 | 70% | 0.696 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -99.9 | -22.9 | 174.6 | -76.5 | 164.3 | 0 | 0 | 0 | 113.8 | A385 | A385-L388 PolarHBondContact O-N 2.88Å; A385-L388 VanDerWaalsContact O-N 3.07Å |
| 389 | D | 43.8 | Very low | 65.1 | Low | 149 Ų | 149 | 128.2 Ų | 128.2 | 80% | 0.797 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -102.9 | 42.1 | -175.6 | -56.7 | -37.2 | 0 | 0 | 0 | 113.1 | ||
| 390 | K | 42.7 | Very low | 62.4 | Low | 185 Ų | 185 | 138.5 Ų | 138.5 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | trans | -141.2 | 45.3 | 176.9 | -77.9 | -159.1 | 173.1 | -174 | 0 | 114.6 | ||||
| 391 | T | 41.2 | Very low | 59.4 | Low | 201 Ų | 201 | 144.3 Ų | 144.3 | 100% | 1.233 | 73% | 0.733 | S | S | * | * | trans | -145.7 | 0 | 159.1 | 51 | 0 | 0 | 0 | 0 | 108.4 |
Retrieved 391 of 391 residues in 652.8 ms
(Link to these results)