| 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 | 46.8 | Very low | 48.2 | Very low | 254 Ų | 254 | 138.1 Ų | 138.1 | 100% | 1.251 | 85% | 0.845 | S | S | * | * | 0 | 125.4 | 0 | -76.7 | 155.1 | 157.7 | 0 | 0 | 106.6 | |||||
| 2 | A | 42.7 | Very low | 48.6 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 84% | 0.843 | 85% | 0.854 | S | S | * | * | cis | -149.6 | 154.5 | 17.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3 | A | 54.6 | Low | 48.9 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 77% | 0.769 | 84% | 0.843 | S | S | * | * | trans | -76.5 | 152 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 4 | R | 42.5 | Very low | 49.1 | Very low | 255 Ų | 255 | 139.4 Ų | 139.4 | 96% | 0.962 | 84% | 0.843 | S | S | * | * | trans | 178.6 | 103.9 | 159.4 | -97.4 | 157.7 | -177.7 | -159.4 | -0.1 | 104.1 | ||||
| 5 | G | 49 | Very low | 49.5 | Very low | 71 Ų | 71 | 145.9 Ų | 145.9 | 73% | 0.732 | 85% | 0.846 | S | S | * | * | 102.9 | 141 | 53 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 6 | V | 42.9 | Very low | 49.6 | Very low | 130 Ų | 130 | 151.3 Ų | 151.3 | 79% | 0.788 | 85% | 0.85 | S | S | * | * | trans | 108.1 | 100.4 | 156.3 | -173.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 7 | I | 44.9 | Very low | 49.8 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 74% | 0.744 | 84% | 0.838 | S | S | * | * | trans | 77.5 | 115.6 | 133 | -52.2 | 169.7 | 0 | 0 | 0 | 120.3 | ||||
| 8 | V | 54.3 | Low | 49.7 | Very low | 132 Ų | 132 | 148.7 Ų | 148.7 | 80% | 0.8 | 84% | 0.838 | S | S | * | * | trans | -86.6 | 142.9 | 161.6 | -169.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 9 | P | 48.8 | Very low | 49.7 | Very low | 113 Ų | 113 | 152.9 Ų | 152.9 | 73% | 0.734 | 84% | 0.841 | S | S | * | * | trans | -127.1 | 117.1 | 146.8 | 30.8 | -16.5 | 0 | 0 | 0 | 112.9 | ||||
| 10 | V | 54 | Low | 49.7 | Very low | 149 Ų | 149 | 153.4 Ų | 153.4 | 90% | 0.903 | 84% | 0.841 | S | S | * | * | trans | -11.3 | 118.5 | 140.7 | -179.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 11 | G | 49.8 | Very low | 49.8 | Very low | 75 Ų | 75 | 154.5 Ų | 154.5 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | trans | -166.2 | 22.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 12 | E | 53.5 | Low | 49.7 | Very low | 202 Ų | 202 | 148.3 Ų | 148.3 | 94% | 0.944 | 82% | 0.819 | S | S | * | * | trans | -118.8 | 97 | 172.8 | -76.1 | -175.3 | 156 | 0 | 0 | 109.3 | ||||
| 13 | G | 52.4 | Low | 50.3 | Low | 69 Ų | 69 | 148.2 Ų | 148.2 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -179.9 | -1.8 | 179 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 14 | L | 50.6 | Low | 50.4 | Low | 162 Ų | 162 | 148.5 Ų | 148.5 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -126.5 | 33.9 | -169.9 | -65.7 | 175.2 | 0 | 0 | 0 | 114.8 | ||||
| 15 | R | 56.2 | Low | 51.2 | Low | 236 Ų | 236 | 144.7 Ų | 144.7 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -114.7 | 18.6 | 176.4 | -56.5 | -166.6 | 94.2 | 131.5 | 3.8 | 115.3 | ||
| 16 | Y | 51.1 | Low | 51.8 | Low | 232 Ų | 232 | 152.4 Ų | 152.4 | 91% | 0.91 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -129.1 | 4.6 | 179.3 | -66.3 | -75.9 | 0 | 0 | 0 | 114.9 | ||
| 17 | A | 52.5 | Low | 52.4 | Low | 78 Ų | 78 | 149.7 Ų | 149.7 | 65% | 0.645 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -93.7 | -5.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 18 | E | 49 | Very low | 53 | Low | 178 Ų | 178 | 148.4 Ų | 148.4 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 36.3 | -164.7 | -139.1 | 171.2 | -154.1 | 0 | 0 | 114.4 | ||
| 19 | Y | 48 | Very low | 53.3 | Low | 230 Ų | 230 | 145.7 Ų | 145.7 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.5 | 38 | 163.1 | -81.4 | -75.4 | 0 | 0 | 0 | 112.5 | Q21 | Y19-Q21 PolarHBondContact O-N 3.08Š|
| 20 | L | 50.2 | Low | 53.8 | Low | 161 Ų | 161 | 145.6 Ų | 145.6 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -74.4 | 103.4 | 156.7 | -71.7 | 175.9 | 0 | 0 | 0 | 107.5 | ||||
| 21 | Q | 51.4 | Low | 54.2 | Low | 178 Ų | 178 | 142.3 Ų | 142.3 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -51 | 128.1 | 170.9 | -71.1 | 177.9 | -17.9 | 0 | 0 | 109.5 | Y19 S23 | Y19-Q21 PolarHBondContact O-N 3.08Å; Q21-S23 PolarHBondContact O-N 3.13Å; Q21-S23 VanDerWaalsContact O-N 3.08Å | ||
| 22 | P | 44.9 | Very low | 55 | Low | 123 Ų | 123 | 145.1 Ų | 145.1 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | trans | -64.2 | 114.6 | 166.8 | -14.1 | 28.2 | 0 | 0 | 0 | 107.7 | A24 | P22-A24 VanDerWaalsContact C-N 3.33Å; P22-A24 PolarHBondContact O-N 3.49Å | ||
| 23 | S | 55.5 | Low | 55.6 | Low | 101 Ų | 101 | 141.6 Ų | 141.6 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | -59.5 | 95.1 | 166.2 | 162.5 | 0 | 0 | 0 | 0 | 108.7 | Q21 K25 | Q21-S23 PolarHBondContact O-N 3.13Å; Q21-S23 VanDerWaalsContact O-N 3.08Å; S23-K25 PolarHBondContact O-N 2.88Å | ||
| 24 | A | 57.8 | Low | 56.4 | Low | 98 Ų | 98 | 143.2 Ų | 143.2 | 81% | 0.81 | 72% | 0.722 | S | S | * | * | trans | -70.2 | 77.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P22 R26 | P22-A24 VanDerWaalsContact C-N 3.33Å; P22-A24 PolarHBondContact O-N 3.49Å; A24-R26 PolarHBondContact O-N 3.03Å | ||
| 25 | K | 58.3 | Low | 57.5 | Low | 176 Ų | 176 | 141 Ų | 141 | 77% | 0.765 | 71% | 0.708 | S | S | * | * | trans | -78.4 | 103.1 | 159.1 | -80.3 | -170.7 | 177 | -172.2 | 0 | 107.9 | S23 | S23-K25 PolarHBondContact O-N 2.88Š| ||
| 26 | R | 62.1 | Low | 58.5 | Low | 233 Ų | 233 | 134.8 Ų | 134.8 | 88% | 0.879 | 69% | 0.691 | S | S | * | * | trans | 178.2 | 82.8 | 147 | -91.7 | 163.3 | -151.5 | -151.3 | 7.1 | 110.7 | A24 | A24-R26 PolarHBondContact O-N 3.03Š| ||
| 27 | P | 55.7 | Low | 60.1 | Low | 72 Ų | 72 | 127.3 Ų | 127.3 | 47% | 0.468 | 67% | 0.67 | S | S | . | * | trans | -113.6 | -8.6 | 157.9 | 34.7 | -27.2 | 0 | 0 | 0 | 113.4 | A29 V31 | P27-A29 PolarHBondContact O-N 3.45Å; P27-V31 WeakPolarHBondContact O-CG2 3.21Å | ||
| 28 | D | 57.7 | Low | 61.6 | Low | 119 Ų | 119 | 130.4 Ų | 130.4 | 64% | 0.636 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -76 | -31.7 | -162.6 | -51.4 | -36.2 | 0 | 0 | 0 | 113.6 | E32 | D28-E32 WeakPolarHBondContact O-CB 3.35Å; D28-E32 WeakPolarHBondContact O-CG 3.42Å; D28-E32 PolarHBondContact O-N 3.33Å |
| 29 | A | 60.8 | Low | 63.2 | Low | 74 Ų | 74 | 125.1 Ų | 125.1 | 61% | 0.612 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -77.4 | -38.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P27 Q33 | P27-A29 PolarHBondContact O-N 3.45Å; A29-Q33 WeakPolarHBondContact O-CB 3.45Å; A29-Q33 PolarHBondContact O-N 3.37Å |
| 30 | D | 58.9 | Low | 65.2 | Low | 112 Ų | 112 | 120.2 Ų | 120.2 | 60% | 0.599 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.7 | -31.9 | -179.6 | -61.3 | -46.9 | 0 | 0 | 0 | 111.4 | Q34 | D30-Q34 VanDerWaalsContact O-CB 3.26Å; D30-Q34 WeakPolarHBondContact O-CB 3.46Å; D30-Q34 PolarHBondContact O-N 2.89Å |
| 31 | V | 62.8 | Low | 67.2 | Low | 79 Ų | 79 | 117.2 Ų | 117.2 | 48% | 0.479 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70.1 | -46 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | P27 Q33 Q34 E35 | P27-V31 WeakPolarHBondContact O-CG2 3.21Å; V31-Q33 PolarHBondContact O-N 3.13Å; V31-Q34 PolarHBondContact O-N 3.38Å; V31-E35 HydrophobicContact CG1-CG 4.37Å; V31-E35 WeakPolarHBondContact O-CB 3.42Å; V31-E35 WeakPolarHBondContact O-CG 3.48Å; V31-E35 PolarHBondContact O-N 3.19Å |
| 32 | E | 65.1 | Low | 69.2 | Low | 134 Ų | 134 | 111.8 Ų | 111.8 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -59 | -44.4 | 173.7 | -81.2 | -97.9 | 139.2 | 0 | 0 | 111.9 | D28 Q34 E35 L36 | D28-E32 WeakPolarHBondContact O-CB 3.35Å; D28-E32 WeakPolarHBondContact O-CG 3.42Å; D28-E32 PolarHBondContact O-N 3.33Å; E32-Q34 VanDerWaalsContact C-N 3.31Å; E32-Q34 PolarHBondContact O-N 3.07Å; E32-E35 PolarHBondContact O-N 2.83Å; E32-L36 WeakPolarHBondContact O-CB 3.29Å; E32-L36 VanDerWaalsContact O-CG 3.26Å; E32-L36 WeakPolarHBondContact O-CG 3.32Å; E32-L36 PolarHBondContact O-N 3.25Å |
| 33 | Q | 66.5 | Low | 71.5 | Confident | 129 Ų | 129 | 110.6 Ų | 110.6 | 60% | 0.603 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.1 | -35.5 | 178.3 | -165.5 | 168.4 | 1.3 | 0 | 0 | 111.8 | A29 V31 V37 | A29-Q33 WeakPolarHBondContact O-CB 3.45Å; A29-Q33 PolarHBondContact O-N 3.37Å; V31-Q33 PolarHBondContact O-N 3.13Å; Q33-V37 WeakPolarHBondContact O-CG2 3.42Å; Q33-V37 PolarHBondContact O-N 3.48Å; Q33-V37 VanDerWaalsContact O-N 3.1Å |
| 34 | Q | 69 | Low | 73.4 | Confident | 103 Ų | 103 | 107.8 Ų | 107.8 | 48% | 0.481 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.6 | -36.6 | 175.6 | -165.5 | 175.3 | 16.9 | 0 | 0 | 112.6 | D30 V31 E32 R38 | D30-Q34 VanDerWaalsContact O-CB 3.26Å; D30-Q34 WeakPolarHBondContact O-CB 3.46Å; D30-Q34 PolarHBondContact O-N 2.89Å; V31-Q34 PolarHBondContact O-N 3.38Å; E32-Q34 VanDerWaalsContact C-N 3.31Å; E32-Q34 PolarHBondContact O-N 3.07Å; Q34-R38 WeakPolarHBondContact O-CB 3.32Å; Q34-R38 WeakPolarHBondContact O-CD 3.31Å; Q34-R38 WeakPolarHBondContact O-CG 3.12Å; Q34-R38 PolarHBondContact O-N 3.06Å |
| 35 | E | 73.8 | Confident | 75.2 | Confident | 116 Ų | 116 | 108.7 Ų | 108.7 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64 | -43.3 | 174.1 | -71.3 | -101.3 | 121.2 | 0 | 0 | 111.6 | V31 E32 R38 S39 | V31-E35 HydrophobicContact CG1-CG 4.37Å; V31-E35 WeakPolarHBondContact O-CB 3.42Å; V31-E35 WeakPolarHBondContact O-CG 3.48Å; V31-E35 PolarHBondContact O-N 3.19Å; E32-E35 PolarHBondContact O-N 2.83Å; E35-R38 PolarHBondContact O-N 3.24Å; E35-S39 WeakPolarHBondContact O-CB 3.47Å; E35-S39 PolarHBondContact O-N 3.48Å; E35-S39 PolarHBondContact O-OG 2.93Å |
| 36 | L | 78.4 | Confident | 77 | Confident | 105 Ų | 105 | 102 Ų | 102 | 55% | 0.55 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.3 | -43.8 | 177.3 | -70.9 | 170.2 | 0 | 0 | 0 | 111.9 | E32 S39 L40 | E32-L36 WeakPolarHBondContact O-CB 3.29Å; E32-L36 VanDerWaalsContact O-CG 3.26Å; E32-L36 WeakPolarHBondContact O-CG 3.32Å; E32-L36 PolarHBondContact O-N 3.25Å; L36-S39 PolarHBondContact O-N 3.34Å; L36-L40 WeakPolarHBondContact O-CB 3.37Å; L36-L40 WeakPolarHBondContact O-CD1 3.41Å; L36-L40 WeakPolarHBondContact O-CG 3.36Å; L36-L40 PolarHBondContact O-N 3.5Å |
| 37 | V | 84.8 | Confident | 78.6 | Confident | 75 Ų | 75 | 95.4 Ų | 95.4 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.7 | -41.5 | 177 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | Q33 S39 L40 I41 | Q33-V37 WeakPolarHBondContact O-CG2 3.42Å; Q33-V37 PolarHBondContact O-N 3.48Å; Q33-V37 VanDerWaalsContact O-N 3.1Å; V37-S39 VanDerWaalsContact C-N 3.34Å; V37-S39 PolarHBondContact O-N 2.94Å; V37-L40 PolarHBondContact O-N 3.42Å; V37-I41 HydrophobicContact CG1-CD1 3.79Å; V37-I41 HydrophobicContact CG1-CG1 4.47Å; V37-I41 VanDerWaalsContact O-CG1 3.26Å; V37-I41 WeakPolarHBondContact O-CG1 3.42Å; V37-I41 PolarHBondContact O-N 3.45Å |
| 38 | R | 83.9 | Confident | 80.5 | Confident | 142 Ų | 142 | 94.7 Ų | 94.7 | 54% | 0.536 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 175.1 | -75.5 | 170.4 | -179.8 | -169.5 | 5.6 | 111.9 | Q34 E35 I41 A42 | Q34-R38 WeakPolarHBondContact O-CB 3.32Å; Q34-R38 WeakPolarHBondContact O-CD 3.31Å; Q34-R38 WeakPolarHBondContact O-CG 3.12Å; Q34-R38 PolarHBondContact O-N 3.06Å; E35-R38 PolarHBondContact O-N 3.24Å; R38-I41 PolarHBondContact O-N 2.84Å; R38-A42 WeakPolarHBondContact O-CB 3.43Å; R38-A42 PolarHBondContact O-N 3.31Å |
| 39 | S | 81.4 | Confident | 82.3 | Confident | 68 Ų | 68 | 92 Ų | 92 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 177.1 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | E35 L36 V37 I41 A42 V43 | E35-S39 WeakPolarHBondContact O-CB 3.47Å; E35-S39 PolarHBondContact O-N 3.48Å; E35-S39 PolarHBondContact O-OG 2.93Å; L36-S39 PolarHBondContact O-N 3.34Å; V37-S39 VanDerWaalsContact C-N 3.34Å; V37-S39 PolarHBondContact O-N 2.94Å; S39-I41 PolarHBondContact O-N 3.18Å; S39-A42 PolarHBondContact O-N 3.45Å; S39-V43 WeakPolarHBondContact O-CB 3Å; S39-V43 VanDerWaalsContact O-CG2 3.22Å; S39-V43 WeakPolarHBondContact O-CG2 3.38Å; S39-V43 PolarHBondContact O-N 3.34Å |
| 40 | L | 91.3 | Very high | 83.9 | Confident | 126 Ų | 126 | 94.8 Ų | 94.8 | 66% | 0.66 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.3 | -42.5 | 175.4 | -81.1 | 159.3 | 0 | 0 | 0 | 112.5 | L36 V37 G44 | L36-L40 WeakPolarHBondContact O-CB 3.37Å; L36-L40 WeakPolarHBondContact O-CD1 3.41Å; L36-L40 WeakPolarHBondContact O-CG 3.36Å; L36-L40 PolarHBondContact O-N 3.5Å; V37-L40 PolarHBondContact O-N 3.42Å; L40-G44 PolarHBondContact O-N 2.96Å |
| 41 | I | 91.6 | Very high | 85.6 | Confident | 98 Ų | 98 | 92.4 Ų | 92.4 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 176.7 | -67.5 | 166 | 0 | 0 | 0 | 110.6 | V37 R38 S39 V43 G44 L45 | V37-I41 HydrophobicContact CG1-CD1 3.79Å; V37-I41 HydrophobicContact CG1-CG1 4.47Å; V37-I41 VanDerWaalsContact O-CG1 3.26Å; V37-I41 WeakPolarHBondContact O-CG1 3.42Å; V37-I41 PolarHBondContact O-N 3.45Å; R38-I41 PolarHBondContact O-N 2.84Å; S39-I41 PolarHBondContact O-N 3.18Å; I41-V43 PolarHBondContact O-N 3.43Å; I41-G44 PolarHBondContact O-N 3Å; I41-L45 HydrophobicContact CG2-CD1 3.86Å; I41-L45 HydrophobicContact CG2-CG 4.32Å; I41-L45 WeakPolarHBondContact O-CB 3.44Å; I41-L45 WeakPolarHBondContact O-CG 3.31Å; I41-L45 PolarHBondContact O-N 3.08Å |
| 42 | A | 92.4 | Very high | 87.1 | Confident | 64 Ų | 64 | 95.2 Ų | 95.2 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R38 S39 L45 G46 | R38-A42 WeakPolarHBondContact O-CB 3.43Å; R38-A42 PolarHBondContact O-N 3.31Å; S39-A42 PolarHBondContact O-N 3.45Å; A42-L45 PolarHBondContact O-N 2.92Å; A42-G46 PolarHBondContact O-N 3Å |
| 43 | V | 94.3 | Very high | 88.4 | Confident | 98 Ų | 98 | 91.9 Ų | 91.9 | 59% | 0.594 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.2 | -45.9 | 175.4 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | S39 I41 L45 G46 V47 | S39-V43 WeakPolarHBondContact O-CB 3Å; S39-V43 VanDerWaalsContact O-CG2 3.22Å; S39-V43 WeakPolarHBondContact O-CG2 3.38Å; S39-V43 PolarHBondContact O-N 3.34Å; I41-V43 PolarHBondContact O-N 3.43Å; V43-L45 PolarHBondContact O-N 2.96Å; V43-G46 PolarHBondContact O-N 3.05Å; V43-V47 WeakPolarHBondContact O-CG2 3.41Å; V43-V47 PolarHBondContact O-N 3.19Å |
| 44 | G | 94.6 | Very high | 89.6 | Confident | 42 Ų | 42 | 87.6 Ų | 87.6 | 43% | 0.433 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | L40 I41 A48 | L40-G44 PolarHBondContact O-N 2.96Å; I41-G44 PolarHBondContact O-N 3Å; G44-A48 WeakPolarHBondContact O-CB 3.5Å; G44-A48 PolarHBondContact O-N 3.28Å |
| 45 | L | 95.9 | Very high | 90.4 | Very high | 117 Ų | 117 | 91.2 Ų | 91.2 | 61% | 0.613 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.8 | -39.5 | 177.2 | -71 | 173.9 | 0 | 0 | 0 | 112.2 | I41 A42 V43 A48 A49 | I41-L45 HydrophobicContact CG2-CD1 3.86Å; I41-L45 HydrophobicContact CG2-CG 4.32Å; I41-L45 WeakPolarHBondContact O-CB 3.44Å; I41-L45 WeakPolarHBondContact O-CG 3.31Å; I41-L45 PolarHBondContact O-N 3.08Å; A42-L45 PolarHBondContact O-N 2.92Å; V43-L45 PolarHBondContact O-N 2.96Å; L45-A48 PolarHBondContact O-N 3.01Å; L45-A49 WeakPolarHBondContact O-CB 3.47Å; L45-A49 PolarHBondContact O-N 3.29Å |
| 46 | G | 95.5 | Very high | 90.9 | Very high | 35 Ų | 35 | 89.5 Ų | 89.5 | 36% | 0.361 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A42 V43 A49 L50 | A42-G46 PolarHBondContact O-N 3Å; V43-G46 PolarHBondContact O-N 3.05Å; G46-A49 PolarHBondContact O-N 2.97Å; G46-L50 WeakPolarHBondContact O-CG 3.44Å; G46-L50 PolarHBondContact O-N 2.89Å; G46-L50 VanDerWaalsContact O-N 3.08Å |
| 47 | V | 96.3 | Very high | 91.2 | Very high | 96 Ų | 96 | 87.1 Ų | 87.1 | 58% | 0.582 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 177.6 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | V43 L50 A51 | V43-V47 WeakPolarHBondContact O-CG2 3.41Å; V43-V47 PolarHBondContact O-N 3.19Å; V47-L50 PolarHBondContact O-N 3.28Å; V47-A51 WeakPolarHBondContact O-CB 3.5Å; V47-A51 PolarHBondContact O-N 3.32Å |
| 48 | A | 94.6 | Very high | 91 | Very high | 57 Ų | 57 | 90.2 Ų | 90.2 | 47% | 0.471 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G44 L45 A51 F52 | G44-A48 WeakPolarHBondContact O-CB 3.5Å; G44-A48 PolarHBondContact O-N 3.28Å; L45-A48 PolarHBondContact O-N 3.01Å; A48-A51 PolarHBondContact O-N 3.49Å; A48-F52 WeakPolarHBondContact O-CB 3.14Å; A48-F52 PolarHBondContact O-N 2.93Å |
| 49 | A | 95.4 | Very high | 90.4 | Very high | 61 Ų | 61 | 91.6 Ų | 91.6 | 50% | 0.504 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L45 G46 F52 A53 | L45-A49 WeakPolarHBondContact O-CB 3.47Å; L45-A49 PolarHBondContact O-N 3.29Å; G46-A49 PolarHBondContact O-N 2.97Å; A49-F52 PolarHBondContact O-N 3.1Å; A49-A53 WeakPolarHBondContact O-CB 3.48Å; A49-A53 PolarHBondContact O-N 3.18Å |
| 50 | L | 95.6 | Very high | 90.1 | Very high | 133 Ų | 133 | 93.8 Ų | 93.8 | 70% | 0.696 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.1 | -44.5 | 175.9 | -76.3 | 171.3 | 0 | 0 | 0 | 112.1 | G46 V47 F52 G54 | G46-L50 WeakPolarHBondContact O-CG 3.44Å; G46-L50 PolarHBondContact O-N 2.89Å; G46-L50 VanDerWaalsContact O-N 3.08Å; V47-L50 PolarHBondContact O-N 3.28Å; L50-F52 VanDerWaalsContact C-N 3.35Å; L50-F52 PolarHBondContact O-N 3.4Å; L50-G54 PolarHBondContact O-N 3.38Å |
| 51 | A | 94 | Very high | 89 | Confident | 63 Ų | 63 | 95 Ų | 95 | 52% | 0.521 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | V47 A48 R55 | V47-A51 WeakPolarHBondContact O-CB 3.5Å; V47-A51 PolarHBondContact O-N 3.32Å; A48-A51 PolarHBondContact O-N 3.49Å; A51-R55 VanDerWaalsContact O-CB 3.26Å; A51-R55 WeakPolarHBondContact O-CB 3.35Å; A51-R55 PolarHBondContact O-N 2.89Å |
| 52 | F | 94 | Very high | 87.9 | Confident | 138 Ų | 138 | 96.2 Ų | 96.2 | 61% | 0.605 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68 | -47.4 | 178.8 | -161.6 | -95.7 | 0 | 0 | 0 | 111.5 | A48 A49 L50 G54 R55 H56 | A48-F52 WeakPolarHBondContact O-CB 3.14Å; A48-F52 PolarHBondContact O-N 2.93Å; A49-F52 PolarHBondContact O-N 3.1Å; L50-F52 VanDerWaalsContact C-N 3.35Å; L50-F52 PolarHBondContact O-N 3.4Å; F52-G54 PolarHBondContact O-N 2.92Å; F52-R55 PolarHBondContact O-N 3.49Å; F52-H56 AromaticContact CD1-CD2 3.69Å; F52-H56 AromaticContact CE1-CD2 3.46Å; F52-H56 VanDerWaalsContact CE1-CD2 3.46Å; F52-H56 WeakPolarHBondContact CE1-CD2 3.43Å; F52-H56 AromaticContact CE1-NE2 3.43Å; F52-H56 WeakPolarHBondContact CE1-NE2 3.35Å; F52-H56 AromaticContact CE2-NE2 3.81Å; F52-H56 AromaticContact CZ-CD2 3.75Å; F52-H56 AromaticContact CZ-NE2 3.25Å; F52-H56 VanDerWaalsContact CZ-NE2 3.25Å; F52-H56 WeakPolarHBondContact CZ-NE2 3.49Å; F52-H56 PolarHBondContact O-CD2 3.19Å; F52-H56 VanDerWaalsContact O-CD2 3.29Å; F52-H56 PolarHBondContact O-N 3.06Å; F52-H56 VanDerWaalsContact O-N 3.08Å |
| 53 | A | 92.3 | Very high | 86.8 | Confident | 63 Ų | 63 | 97 Ų | 97 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A49 R55 H56 A57 | A49-A53 WeakPolarHBondContact O-CB 3.48Å; A49-A53 PolarHBondContact O-N 3.18Å; A53-R55 PolarHBondContact O-N 3.3Å; A53-H56 PolarHBondContact O-N 3.49Å; A53-A57 WeakPolarHBondContact O-CB 3.2Å; A53-A57 PolarHBondContact O-N 3.46Å |
| 54 | G | 92.4 | Very high | 85.7 | Confident | 40 Ų | 40 | 96 Ų | 96 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L50 F52 H56 A57 F58 | L50-G54 PolarHBondContact O-N 3.38Å; F52-G54 PolarHBondContact O-N 2.92Å; G54-H56 PolarHBondContact O-N 3.5Å; G54-A57 PolarHBondContact O-N 3.46Å; G54-F58 VanDerWaalsContact O-CB 3.25Å; G54-F58 WeakPolarHBondContact O-CB 3.36Å; G54-F58 PolarHBondContact O-N 2.88Å |
| 55 | R | 86.2 | Confident | 84.2 | Confident | 179 Ų | 179 | 98.4 Ų | 98.4 | 68% | 0.675 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | 178.7 | -174.9 | 172.9 | -175.6 | 157.7 | 1.1 | 112.7 | A51 F52 A53 R59 | A51-R55 VanDerWaalsContact O-CB 3.26Å; A51-R55 WeakPolarHBondContact O-CB 3.35Å; A51-R55 PolarHBondContact O-N 2.89Å; F52-R55 PolarHBondContact O-N 3.49Å; A53-R55 PolarHBondContact O-N 3.3Å; R55-R59 PolarHBondContact O-N 3.18Å |
| 56 | H | 84.6 | Confident | 82.7 | Confident | 80 Ų | 80 | 98.7 Ų | 98.7 | 37% | 0.37 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74.7 | -42.6 | 178.1 | -82.7 | -85 | 0 | 0 | 0 | 112.2 | F52 A53 G54 R59 I60 | F52-H56 AromaticContact CD1-CD2 3.69Å; F52-H56 AromaticContact CE1-CD2 3.46Å; F52-H56 VanDerWaalsContact CE1-CD2 3.46Å; F52-H56 WeakPolarHBondContact CE1-CD2 3.43Å; F52-H56 AromaticContact CE1-NE2 3.43Å; F52-H56 WeakPolarHBondContact CE1-NE2 3.35Å; F52-H56 AromaticContact CE2-NE2 3.81Å; F52-H56 AromaticContact CZ-CD2 3.75Å; F52-H56 AromaticContact CZ-NE2 3.25Å; F52-H56 VanDerWaalsContact CZ-NE2 3.25Å; F52-H56 WeakPolarHBondContact CZ-NE2 3.49Å; F52-H56 PolarHBondContact O-CD2 3.19Å; F52-H56 VanDerWaalsContact O-CD2 3.29Å; F52-H56 PolarHBondContact O-N 3.06Å; F52-H56 VanDerWaalsContact O-N 3.08Å; A53-H56 PolarHBondContact O-N 3.49Å; G54-H56 PolarHBondContact O-N 3.5Å; H56-R59 PolarHBondContact O-N 3.49Å; H56-I60 WeakPolarHBondContact O-CG1 3.38Å; H56-I60 PolarHBondContact O-N 3.13Å |
| 57 | A | 83.9 | Confident | 81.4 | Confident | 54 Ų | 54 | 101 Ų | 101 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A53 G54 R59 I60 W61 | A53-A57 WeakPolarHBondContact O-CB 3.2Å; A53-A57 PolarHBondContact O-N 3.46Å; G54-A57 PolarHBondContact O-N 3.46Å; A57-R59 VanDerWaalsContact C-N 3.27Å; A57-R59 PolarHBondContact O-N 2.98Å; A57-I60 PolarHBondContact O-N 3.35Å; A57-W61 WeakPolarHBondContact O-CB 3.39Å; A57-W61 PolarHBondContact O-N 2.97Å |
| 58 | F | 80.3 | Confident | 80.1 | Confident | 140 Ų | 140 | 101 Ų | 101 | 61% | 0.614 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.5 | -32.2 | 179.9 | -172 | -102.4 | 0 | 0 | 0 | 113.2 | G54 | G54-F58 VanDerWaalsContact O-CB 3.25Å; G54-F58 WeakPolarHBondContact O-CB 3.36Å; G54-F58 PolarHBondContact O-N 2.88Å |
| 59 | R | 71.1 | Confident | 78.8 | Confident | 171 Ų | 171 | 102 Ų | 102 | 65% | 0.645 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -75 | -29.9 | 178.4 | -166 | 137.7 | 61.6 | 159.3 | 2.5 | 112.8 | R55 H56 A57 | R55-R59 PolarHBondContact O-N 3.18Å; H56-R59 PolarHBondContact O-N 3.49Å; A57-R59 VanDerWaalsContact C-N 3.27Å; A57-R59 PolarHBondContact O-N 2.98Å |
| 60 | I | 76.5 | Confident | 77 | Confident | 115 Ų | 115 | 105.9 Ų | 105.9 | 59% | 0.59 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -82.9 | -26.5 | 176.7 | -60.1 | 168.3 | 0 | 0 | 0 | 111.2 | H56 A57 K62 P63 L64 | H56-I60 WeakPolarHBondContact O-CG1 3.38Å; H56-I60 PolarHBondContact O-N 3.13Å; A57-I60 PolarHBondContact O-N 3.35Å; I60-K62 PolarHBondContact O-N 3.11Å; I60-P63 VanDerWaalsContact O-CD 3.24Å; I60-P63 WeakPolarHBondContact O-CD 3.15Å; I60-P63 WeakPolarHBondContact O-CG 3.45Å; I60-L64 WeakPolarHBondContact O-CB 3.37Å; I60-L64 PolarHBondContact O-N 3.33Å |
| 61 | W | 68.4 | Low | 75.5 | Confident | 152 Ų | 152 | 103.1 Ų | 103.1 | 58% | 0.576 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.4 | -36.2 | -177.2 | -166.3 | -72.8 | 0 | 0 | 0 | 113.6 | A57 L64 E65 | A57-W61 WeakPolarHBondContact O-CB 3.39Å; A57-W61 PolarHBondContact O-N 2.97Å; W61-L64 PolarHBondContact O-N 3.01Å; W61-L64 VanDerWaalsContact O-N 3.17Å; W61-E65 VanDerWaalsContact CD1-OE1 3.26Å; W61-E65 PolarHBondContact NE1-OE1 3.29Å; W61-E65 PolarHBondContact O-N 2.88Å; W61-E65 VanDerWaalsContact O-N 3.12Å |
| 62 | K | 67.4 | Low | 74.1 | Confident | 122 Ų | 122 | 102.3 Ų | 102.3 | 53% | 0.53 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | -177.8 | -67.2 | -66 | -179.2 | -174.5 | 0 | 115.1 | I60 | I60-K62 PolarHBondContact O-N 3.11Å |
| 63 | P | 68.4 | Low | 72.4 | Confident | 80 Ų | 80 | 104 Ų | 104 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -75.7 | -26.4 | 172.2 | 27.1 | -34.2 | 0 | 0 | 0 | 113.2 | I60 E65 Q66 V67 | I60-P63 VanDerWaalsContact O-CD 3.24Å; I60-P63 WeakPolarHBondContact O-CD 3.15Å; I60-P63 WeakPolarHBondContact O-CG 3.45Å; P63-E65 VanDerWaalsContact C-N 3.35Å; P63-E65 PolarHBondContact O-N 3.01Å; P63-Q66 PolarHBondContact O-N 3.39Å; P63-V67 WeakPolarHBondContact O-CG2 3.4Å |
| 64 | L | 72.9 | Confident | 70.8 | Confident | 77 Ų | 77 | 109.8 Ų | 109.8 | 40% | 0.403 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.8 | -33.8 | -179.2 | -172.9 | 62.2 | 0 | 0 | 0 | 112.3 | I60 W61 Q66 V67 I68 | I60-L64 WeakPolarHBondContact O-CB 3.37Å; I60-L64 PolarHBondContact O-N 3.33Å; W61-L64 PolarHBondContact O-N 3.01Å; W61-L64 VanDerWaalsContact O-N 3.17Å; L64-Q66 VanDerWaalsContact C-N 3.25Å; L64-Q66 PolarHBondContact O-N 2.96Å; L64-V67 HydrophobicContact CD1-CG2 4.18Å; L64-V67 WeakPolarHBondContact O-CG2 3.08Å; L64-V67 PolarHBondContact O-N 3.44Å; L64-I68 HydrophobicContact CD1-CD1 4.1Å; L64-I68 HydrophobicContact CD1-CG1 4.11Å; L64-I68 HydrophobicContact CD2-CD1 3.98Å; L64-I68 HydrophobicContact CG-CD1 3.6Å; L64-I68 HydrophobicContact CG-CG1 4.04Å; L64-I68 WeakPolarHBondContact O-CB 3.49Å; L64-I68 WeakPolarHBondContact O-CG1 3.33Å; L64-I68 PolarHBondContact O-N 2.97Å |
| 65 | E | 63.5 | Low | 69.3 | Low | 93 Ų | 93 | 113.5 Ų | 113.5 | 44% | 0.435 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.5 | -35.6 | 176.8 | -73.7 | -168.7 | 170.8 | 0 | 0 | 112.7 | W61 P63 T69 | W61-E65 VanDerWaalsContact CD1-OE1 3.26Å; W61-E65 PolarHBondContact NE1-OE1 3.29Å; W61-E65 PolarHBondContact O-N 2.88Å; W61-E65 VanDerWaalsContact O-N 3.12Å; P63-E65 VanDerWaalsContact C-N 3.35Å; P63-E65 PolarHBondContact O-N 3.01Å; E65-T69 VanDerWaalsContact O-CB 3.26Å; E65-T69 WeakPolarHBondContact O-CB 3.32Å; E65-T69 WeakPolarHBondContact O-CG2 3.33Å; E65-T69 PolarHBondContact O-N 3.49Å; E65-T69 PolarHBondContact O-OG1 3.05Å |
| 66 | Q | 63.7 | Low | 68 | Low | 123 Ų | 123 | 109.5 Ų | 109.5 | 58% | 0.575 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.2 | -35.9 | -179.4 | -64.6 | -170.9 | -6.8 | 0 | 0 | 112.5 | P63 L64 T69 K70 | P63-Q66 PolarHBondContact O-N 3.39Å; L64-Q66 VanDerWaalsContact C-N 3.25Å; L64-Q66 PolarHBondContact O-N 2.96Å; Q66-T69 WeakPolarHBondContact CA-OG1 3.15Å; Q66-T69 PolarHBondContact O-OG1 3.19Å; Q66-K70 VanDerWaalsContact O-CB 3.24Å; Q66-K70 WeakPolarHBondContact O-CB 3.34Å; Q66-K70 WeakPolarHBondContact O-CD 3.34Å; Q66-K70 WeakPolarHBondContact O-CG 3.4Å; Q66-K70 PolarHBondContact O-N 3.32Å |
| 67 | V | 68.3 | Low | 66.7 | Low | 83 Ų | 83 | 110.7 Ų | 110.7 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -75.6 | -37.2 | 175.5 | -104.4 | 0 | 0 | 0 | 0 | 111.5 | P63 L64 T71 | P63-V67 WeakPolarHBondContact O-CG2 3.4Å; L64-V67 HydrophobicContact CD1-CG2 4.18Å; L64-V67 WeakPolarHBondContact O-CG2 3.08Å; L64-V67 PolarHBondContact O-N 3.44Å; V67-T71 WeakPolarHBondContact O-CB 3.32Å; V67-T71 PolarHBondContact O-N 3.47Å; V67-T71 PolarHBondContact O-OG1 2.94Å |
| 68 | I | 69.6 | Low | 65.3 | Low | 97 Ų | 97 | 111.1 Ų | 111.1 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.3 | -45.2 | 173.8 | -66.6 | 176.7 | 0 | 0 | 0 | 110.2 | L64 T71 A72 | L64-I68 HydrophobicContact CD1-CD1 4.1Å; L64-I68 HydrophobicContact CD1-CG1 4.11Å; L64-I68 HydrophobicContact CD2-CD1 3.98Å; L64-I68 HydrophobicContact CG-CD1 3.6Å; L64-I68 HydrophobicContact CG-CG1 4.04Å; L64-I68 WeakPolarHBondContact O-CB 3.49Å; L64-I68 WeakPolarHBondContact O-CG1 3.33Å; L64-I68 PolarHBondContact O-N 2.97Å; I68-T71 PolarHBondContact O-N 3.09Å; I68-A72 WeakPolarHBondContact O-CA 2.91Å; I68-A72 WeakPolarHBondContact O-CB 3.38Å; I68-A72 PolarHBondContact O-N 3.18Å |
| 69 | T | 65.4 | Low | 64.1 | Low | 79 Ų | 79 | 109.6 Ų | 109.6 | 49% | 0.485 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.7 | -35.4 | 179.9 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | E65 Q66 K73 | E65-T69 VanDerWaalsContact O-CB 3.26Å; E65-T69 WeakPolarHBondContact O-CB 3.32Å; E65-T69 WeakPolarHBondContact O-CG2 3.33Å; E65-T69 PolarHBondContact O-N 3.49Å; E65-T69 PolarHBondContact O-OG1 3.05Å; Q66-T69 WeakPolarHBondContact CA-OG1 3.15Å; Q66-T69 PolarHBondContact O-OG1 3.19Å; T69-K73 VanDerWaalsContact O-CB 3.29Å; T69-K73 WeakPolarHBondContact O-CB 3.48Å; T69-K73 PolarHBondContact O-N 2.95Å |
| 70 | K | 59.3 | Low | 63.5 | Low | 142 Ų | 142 | 108 Ų | 108 | 62% | 0.617 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.3 | -38.8 | 173.5 | -74 | 174.1 | -176.1 | 178.4 | 0 | 112.1 | Q66 K74 | Q66-K70 VanDerWaalsContact O-CB 3.24Å; Q66-K70 WeakPolarHBondContact O-CB 3.34Å; Q66-K70 WeakPolarHBondContact O-CD 3.34Å; Q66-K70 WeakPolarHBondContact O-CG 3.4Å; Q66-K70 PolarHBondContact O-N 3.32Å; K70-K74 PolarHBondContact O-N 3.37Å |
| 71 | T | 63.4 | Low | 62.7 | Low | 75 Ų | 75 | 105.3 Ų | 105.3 | 46% | 0.46 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.5 | -43.6 | 176.4 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | V67 I68 K74 I75 | V67-T71 WeakPolarHBondContact O-CB 3.32Å; V67-T71 PolarHBondContact O-N 3.47Å; V67-T71 PolarHBondContact O-OG1 2.94Å; I68-T71 PolarHBondContact O-N 3.09Å; T71-K74 WeakPolarHBondContact O-CB 3.36Å; T71-K74 PolarHBondContact O-N 2.91Å; T71-K74 VanDerWaalsContact O-N 3.17Å; T71-I75 HydrophobicContact CG2-CD1 3.59Å; T71-I75 WeakPolarHBondContact O-CB 3.22Å; T71-I75 WeakPolarHBondContact O-CD1 3.39Å; T71-I75 VanDerWaalsContact O-CG1 3.22Å; T71-I75 WeakPolarHBondContact O-CG1 3.35Å; T71-I75 PolarHBondContact O-N 3.47Å |
| 72 | A | 64.6 | Low | 62.7 | Low | 46 Ų | 46 | 106.1 Ų | 106.1 | 38% | 0.38 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.7 | -38.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I68 K74 I75 S76 | I68-A72 WeakPolarHBondContact O-CA 2.91Å; I68-A72 WeakPolarHBondContact O-CB 3.38Å; I68-A72 PolarHBondContact O-N 3.18Å; A72-K74 VanDerWaalsContact C-N 3.29Å; A72-K74 PolarHBondContact O-N 3.1Å; A72-I75 CarbonylContact O-C 3.58Å; A72-I75 PolarHBondContact O-N 2.84Å; A72-I75 VanDerWaalsContact O-N 3.16Å; A72-S76 WeakPolarHBondContact O-CA 3.5Å; A72-S76 WeakPolarHBondContact O-CB 3.49Å; A72-S76 PolarHBondContact O-N 2.99Å |
| 73 | K | 59.2 | Low | 63.3 | Low | 172 Ų | 172 | 109.2 Ų | 109.2 | 75% | 0.748 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.6 | -30.5 | 172.1 | -90 | -175.8 | 173.3 | -178.1 | 0 | 113.2 | T69 | T69-K73 VanDerWaalsContact O-CB 3.29Å; T69-K73 WeakPolarHBondContact O-CB 3.48Å; T69-K73 PolarHBondContact O-N 2.95Å |
| 74 | K | 57.6 | Low | 64 | Low | 186 Ų | 186 | 113.6 Ų | 113.6 | 81% | 0.809 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -75 | -23.2 | 173.2 | -103.9 | 174.1 | 178.3 | -82.6 | 0 | 113.4 | K70 T71 A72 | K70-K74 PolarHBondContact O-N 3.37Å; T71-K74 WeakPolarHBondContact O-CB 3.36Å; T71-K74 PolarHBondContact O-N 2.91Å; T71-K74 VanDerWaalsContact O-N 3.17Å; A72-K74 VanDerWaalsContact C-N 3.29Å; A72-K74 PolarHBondContact O-N 3.1Å |
| 75 | I | 61.7 | Low | 64.7 | Low | 117 Ų | 117 | 119.4 Ų | 119.4 | 60% | 0.6 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -103.5 | -26.3 | -176.7 | -63.4 | 168.6 | 0 | 0 | 0 | 112.2 | T71 A72 T77 P78 | T71-I75 HydrophobicContact CG2-CD1 3.59Å; T71-I75 WeakPolarHBondContact O-CB 3.22Å; T71-I75 WeakPolarHBondContact O-CD1 3.39Å; T71-I75 VanDerWaalsContact O-CG1 3.22Å; T71-I75 WeakPolarHBondContact O-CG1 3.35Å; T71-I75 PolarHBondContact O-N 3.47Å; A72-I75 CarbonylContact O-C 3.58Å; A72-I75 PolarHBondContact O-N 2.84Å; A72-I75 VanDerWaalsContact O-N 3.16Å; I75-T77 VanDerWaalsContact C-N 3.32Å; I75-T77 PolarHBondContact O-N 3.04Å; I75-P78 WeakPolarHBondContact O-CD 3.06Å |
| 76 | S | 57.5 | Low | 65.9 | Low | 96 Ų | 96 | 118.6 Ų | 118.6 | 67% | 0.671 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -81.2 | -7.6 | -173 | -175.5 | 0 | 0 | 0 | 0 | 113.8 | A72 P78 | A72-S76 WeakPolarHBondContact O-CA 3.5Å; A72-S76 WeakPolarHBondContact O-CB 3.49Å; A72-S76 PolarHBondContact O-N 2.99Å; S76-P78 WeakPolarHBondContact O-CD 3.47Å |
| 77 | T | 57.3 | Low | 67.2 | Low | 104 Ų | 104 | 116.3 Ų | 116.3 | 64% | 0.638 | 63% | 0.627 | S | S | * | * | trans | -116.6 | 77.6 | 162.2 | 51 | 0 | 0 | 0 | 0 | 109.7 | I75 S79 | I75-T77 VanDerWaalsContact C-N 3.32Å; I75-T77 PolarHBondContact O-N 3.04Å; T77-S79 PolarHBondContact O-N 3.29Å | ||
| 78 | P | 55.4 | Low | 68.5 | Low | 64 Ų | 64 | 115.9 Ų | 115.9 | 42% | 0.416 | 62% | 0.618 | S | S | . | * | trans | -57 | 110.3 | 143.5 | -3.2 | 23.1 | 0 | 0 | 0 | 102.9 | I75 S76 F80 | I75-P78 WeakPolarHBondContact O-CD 3.06Å; S76-P78 WeakPolarHBondContact O-CD 3.47Å; P78-F80 HydrophobicContact CB-CD1 3.92Å; P78-F80 HydrophobicContact CB-CD2 3.66Å; P78-F80 HydrophobicContact CB-CE1 3.63Å; P78-F80 HydrophobicContact CB-CE2 3.36Å; P78-F80 HydrophobicContact CB-CG 3.95Å; P78-F80 HydrophobicContact CB-CZ 3.34Å; P78-F80 HydrophobicContact CG-CD2 3.92Å; P78-F80 HydrophobicContact CG-CE1 4.31Å; P78-F80 HydrophobicContact CG-CE2 3.28Å; P78-F80 HydrophobicContact CG-CZ 3.51Å; P78-F80 WeakPolarHBondContact O-CD2 3.47Å; P78-F80 PolarHBondContact O-N 3.14Å | ||
| 79 | S | 55.6 | Low | 69.6 | Low | 107 Ų | 107 | 115.7 Ų | 115.7 | 75% | 0.748 | 62% | 0.616 | S | S | * | * | trans | -65.5 | 77 | 174.5 | -168.2 | 0 | 0 | 0 | 0 | 106.7 | T77 S81 | T77-S79 PolarHBondContact O-N 3.29Å; S79-S81 PolarHBondContact O-N 3.23Å | ||
| 80 | F | 58.1 | Low | 71 | Confident | 138 Ų | 138 | 121.8 Ų | 121.8 | 61% | 0.605 | 64% | 0.638 | S | S | * | * | trans | -74.3 | 20.3 | -178.4 | -71 | -56.8 | 0 | 0 | 0 | 112.1 | P78 F82 | P78-F80 HydrophobicContact CB-CD1 3.92Å; P78-F80 HydrophobicContact CB-CD2 3.66Å; P78-F80 HydrophobicContact CB-CE1 3.63Å; P78-F80 HydrophobicContact CB-CE2 3.36Å; P78-F80 HydrophobicContact CB-CG 3.95Å; P78-F80 HydrophobicContact CB-CZ 3.34Å; P78-F80 HydrophobicContact CG-CD2 3.92Å; P78-F80 HydrophobicContact CG-CE1 4.31Å; P78-F80 HydrophobicContact CG-CE2 3.28Å; P78-F80 HydrophobicContact CG-CZ 3.51Å; P78-F80 WeakPolarHBondContact O-CD2 3.47Å; P78-F80 PolarHBondContact O-N 3.14Å; F80-F82 HydrophobicContact CD1-CD2 4.35Å; F80-F82 AromaticContact CD1-CE2 3.56Å; F80-F82 HydrophobicContact CD1-CE2 3.56Å; F80-F82 HydrophobicContact CD1-CZ 4.18Å; F80-F82 HydrophobicContact CE1-CE2 4.25Å; F80-F82 PolarHBondContact O-N 3.47Å | ||
| 81 | S | 59.8 | Low | 72.6 | Confident | 59 Ų | 59 | 123.4 Ų | 123.4 | 41% | 0.413 | 65% | 0.646 | S | S | . | * | trans | -74.3 | 67.3 | 161.3 | 175.1 | 0 | 0 | 0 | 0 | 108.4 | S79 Y83 | S79-S81 PolarHBondContact O-N 3.23Å; S81-Y83 PolarHBondContact O-N 3.24Å; S81-Y83 VanDerWaalsContact O-N 3.12Å; S81-Y83 PolarHBondContact OG-O 2.89Å | ||
| 82 | F | 67.3 | Low | 74.2 | Confident | 168 Ų | 168 | 120.2 Ų | 120.2 | 74% | 0.737 | 63% | 0.626 | S | S | * | * | trans | -62.8 | -6.6 | 164.6 | -69.6 | -71.9 | 0 | 0 | 0 | 112.2 | F80 | F80-F82 HydrophobicContact CD1-CD2 4.35Å; F80-F82 AromaticContact CD1-CE2 3.56Å; F80-F82 HydrophobicContact CD1-CE2 3.56Å; F80-F82 HydrophobicContact CD1-CZ 4.18Å; F80-F82 HydrophobicContact CE1-CE2 4.25Å; F80-F82 PolarHBondContact O-N 3.47Å | ||
| 83 | Y | 80 | Confident | 75.7 | Confident | 187 Ų | 187 | 119.5 Ų | 119.5 | 73% | 0.733 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -75.8 | 131.1 | 173.4 | -55.6 | -75.5 | 0 | 0 | 0 | 110.6 | S81 K85 | S81-Y83 PolarHBondContact O-N 3.24Å; S81-Y83 VanDerWaalsContact O-N 3.12Å; S81-Y83 PolarHBondContact OG-O 2.89Å; Y83-K85 PolarHBondContact O-N 3.27Å |
| 84 | Y | 84.6 | Confident | 77.4 | Confident | 172 Ų | 172 | 117.1 Ų | 117.1 | 68% | 0.675 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 124.8 | 167 | -66.6 | -79.5 | 0 | 0 | 0 | 108.7 | G86 L99 | Y84-G86 PolarHBondContact O-N 3.28Å; Y84-L99 HydrophobicContact CE1-CD1 4.22Å; Y84-L99 HydrophobicContact CE2-CD1 4.23Å; Y84-L99 HydrophobicContact CE2-CD2 4.06Å; Y84-L99 WeakPolarHBondContact OH-CD2 3.16Å |
| 85 | K | 86 | Confident | 79.1 | Confident | 199 Ų | 199 | 117 Ų | 117 | 87% | 0.865 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -71.4 | 126.1 | 176.7 | -67.4 | -173.4 | 177.8 | -175.4 | 0 | 109.2 | Y83 | Y83-K85 PolarHBondContact O-N 3.27Š|
| 86 | G | 89.4 | Confident | 80.8 | Confident | 76 Ų | 76 | 112 Ų | 112 | 78% | 0.784 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 121.4 | -172 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y84 | Y84-G86 PolarHBondContact O-N 3.28Š|
| 87 | G | 91.8 | Very high | 82.6 | Confident | 76 Ų | 76 | 107.5 Ų | 107.5 | 78% | 0.784 | 54% | 0.541 | S | S | * | . | trans | -104.5 | -169 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 88 | F | 94.7 | Very high | 84.5 | Confident | 73 Ų | 73 | 102.7 Ų | 102.7 | 32% | 0.32 | 51% | 0.512 | S | S | . | . | trans | -62.6 | 148.4 | 169.3 | -64.2 | -71.2 | 0 | 0 | 0 | 111 | E96 I100 Y132 K136 | F88-E96 WeakPolarHBondContact CA-OE1 3.26Å; F88-E96 WeakPolarHBondContact CB-OE1 3.49Å; F88-E96 WeakPolarHBondContact CD1-OE1 3.29Å; F88-I100 HydrophobicContact CD1-CD1 3.84Å; F88-I100 HydrophobicContact CD1-CG1 4.42Å; F88-I100 HydrophobicContact CE1-CD1 3.66Å; F88-I100 HydrophobicContact CE1-CG1 3.92Å; F88-Y132 HydrophobicContact CD2-CD1 4.36Å; F88-Y132 AromaticContact CD2-CE1 3.55Å; F88-Y132 HydrophobicContact CD2-CE1 3.55Å; F88-Y132 HydrophobicContact CE2-CD1 4.33Å; F88-Y132 AromaticContact CE2-CE1 3.95Å; F88-Y132 HydrophobicContact CE2-CE1 3.95Å; F88-K136 HydrophobicContact CB-CD 3.92Å; F88-K136 HydrophobicContact CB-CG 4.5Å; F88-K136 HydrophobicContact CD1-CB 4.33Å; F88-K136 HydrophobicContact CD1-CD 4Å; F88-K136 HydrophobicContact CD1-CG 4.11Å; F88-K136 HydrophobicContact CD2-CD 4.15Å; F88-K136 HydrophobicContact CD2-CG 3.77Å; F88-K136 HydrophobicContact CE1-CB 4.07Å; F88-K136 HydrophobicContact CE1-CG 4.25Å; F88-K136 HydrophobicContact CE2-CB 4.28Å; F88-K136 HydrophobicContact CE2-CG 3.91Å; F88-K136 HydrophobicContact CG-CD 3.75Å; F88-K136 HydrophobicContact CG-CG 3.86Å; F88-K136 HydrophobicContact CZ-CB 4.03Å; F88-K136 HydrophobicContact CZ-CG 4.15Å | ||
| 89 | E | 93.1 | Very high | 86.4 | Confident | 94 Ų | 94 | 103.5 Ų | 103.5 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | trans | -65 | 147.6 | 173.1 | -56.9 | -179.9 | -160.4 | 0 | 0 | 109.6 | K91 S93 E96 K136 | E89-K91 PolarHBondContact O-N 3.41Å; E89-S93 PolarHBondContact OE1-OG 3.08Å; E89-S93 WeakPolarHBondContact OE2-CB 3.13Å; E89-S93 PolarHBondContact OE2-OG 3.25Å; E89-E96 WeakPolarHBondContact CB-OE2 3.44Å; E89-E96 PolarHBondContact N-OE1 3.12Å; E89-K136 PolarHBondContact O-NZ 2.92Å | ||
| 90 | Q | 93.5 | Very high | 88.3 | Confident | 206 Ų | 206 | 99.6 Ų | 99.6 | 96% | 0.963 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -61.2 | -32.9 | 179.2 | -173.6 | 176.5 | 75.7 | 0 | 0 | 111.6 | ||
| 91 | K | 94.9 | Very high | 90.2 | Very high | 177 Ų | 177 | 93.4 Ų | 93.4 | 77% | 0.77 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -124.5 | 123.5 | 174 | -179.5 | 178.8 | -178 | 178.1 | 0 | 108.2 | E89 S93 | E89-K91 PolarHBondContact O-N 3.41Å; K91-S93 PolarHBondContact O-N 2.83Å |
| 92 | M | 95.5 | Very high | 91.9 | Very high | 8 Ų | 8 | 93.7 Ų | 93.7 | 4% | 0.039 | 47% | 0.469 | C | S | . | . | trans | -57 | 127.1 | -178.8 | -174.3 | 69.7 | 62.3 | 0 | 0 | 111.5 | E96 A97 I100 K136 E139 A140 L143 | M92-E96 HydrophobicContact SD-CB 4.1Å; M92-E96 HydrophobicContact SD-CG 3.86Å; M92-E96 VanDerWaalsContact SD-OE2 3.41Å; M92-A97 HydrophobicContact CG-CB 4.2Å; M92-A97 HydrophobicContact SD-CB 4.07Å; M92-I100 HydrophobicContact CE-CD1 3.61Å; M92-I100 HydrophobicContact SD-CD1 3.75Å; M92-K136 HydrophobicContact CE-CB 4.43Å; M92-K136 HydrophobicContact CE-CD 3.62Å; M92-K136 WeakPolarHBondContact CE-O 3.41Å; M92-E139 VanDerWaalsContact CB-CD 3.45Å; M92-E139 HydrophobicContact CB-CG 3.68Å; M92-E139 WeakPolarHBondContact CB-OE1 3.33Å; M92-E139 HydrophobicContact CE-CB 3.87Å; M92-E139 HydrophobicContact CE-CG 3.82Å; M92-E139 WeakPolarHBondContact CE-OE2 3.43Å; M92-E139 HydrophobicContact CG-CG 4.01Å; M92-A140 HydrophobicContact CE-CB 4.38Å; M92-A140 HydrophobicContact SD-CB 4.28Å; M92-L143 HydrophobicContact CB-CD1 3.93Å; M92-L143 HydrophobicContact CG-CB 4.33Å; M92-L143 HydrophobicContact CG-CD1 3.85Å; M92-L143 HydrophobicContact CG-CG 4.5Å; M92-L143 WeakPolarHBondContact O-CD1 3.46Å | ||
| 93 | S | 95.8 | Very high | 93.3 | Very high | 31 Ų | 31 | 86.5 Ų | 86.5 | 22% | 0.217 | 44% | 0.439 | C | S | . | . | trans | -100.5 | 156.7 | 173.9 | 76.1 | 0 | 0 | 0 | 0 | 111.1 | E89 K91 R95 E96 A97 | E89-S93 PolarHBondContact OE1-OG 3.08Å; E89-S93 WeakPolarHBondContact OE2-CB 3.13Å; E89-S93 PolarHBondContact OE2-OG 3.25Å; K91-S93 PolarHBondContact O-N 2.83Å; S93-R95 PolarHBondContact O-N 2.8Å; S93-E96 PolarHBondContact O-N 3.28Å; S93-E96 WeakPolarHBondContact OG-CB 3.45Å; S93-E96 PolarHBondContact OG-N 3.23Å; S93-E96 VanDerWaalsContact OG-N 3.08Å; S93-A97 WeakPolarHBondContact O-CB 3.34Å; S93-A97 PolarHBondContact O-N 3.45Å | ||
| 94 | R | 95.1 | Very high | 94 | Very high | 122 Ų | 122 | 80.5 Ų | 80.5 | 46% | 0.46 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.7 | -33.3 | 174.1 | -79.4 | -165.4 | -164.9 | -160.1 | 5 | 112.2 | G98 P105 L143 | R94-G98 PolarHBondContact O-N 3.36Å; R94-G98 VanDerWaalsContact O-N 3.14Å; R94-P105 HydrophobicContact CB-CB 4.39Å; R94-L143 VanDerWaalsContact CA-CD2 3.47Å; R94-L143 HydrophobicContact CB-CD2 4.09Å; R94-L143 HydrophobicContact CG-CD2 3.55Å |
| 95 | R | 94.8 | Very high | 94.3 | Very high | 182 Ų | 182 | 74.7 Ų | 74.7 | 69% | 0.687 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.8 | -51.7 | 178.4 | -176.1 | -178.2 | 179.9 | -176.9 | 0.5 | 110.1 | S93 A97 G98 L99 | S93-R95 PolarHBondContact O-N 2.8Å; R95-A97 VanDerWaalsContact C-N 3.35Å; R95-A97 PolarHBondContact O-N 2.87Å; R95-G98 PolarHBondContact O-N 3.35Å; R95-L99 WeakPolarHBondContact O-CG 3.24Å; R95-L99 PolarHBondContact O-N 2.99Å |
| 96 | E | 95.9 | Very high | 94.6 | Very high | 14 Ų | 14 | 70.3 Ų | 70.3 | 7% | 0.065 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 177.2 | -175.6 | -176 | -156.6 | 0 | 0 | 111.5 | F88 E89 M92 S93 G98 L99 I100 | F88-E96 WeakPolarHBondContact CA-OE1 3.26Å; F88-E96 WeakPolarHBondContact CB-OE1 3.49Å; F88-E96 WeakPolarHBondContact CD1-OE1 3.29Å; E89-E96 WeakPolarHBondContact CB-OE2 3.44Å; E89-E96 PolarHBondContact N-OE1 3.12Å; M92-E96 HydrophobicContact SD-CB 4.1Å; M92-E96 HydrophobicContact SD-CG 3.86Å; M92-E96 VanDerWaalsContact SD-OE2 3.41Å; S93-E96 PolarHBondContact O-N 3.28Å; S93-E96 WeakPolarHBondContact OG-CB 3.45Å; S93-E96 PolarHBondContact OG-N 3.23Å; S93-E96 VanDerWaalsContact OG-N 3.08Å; E96-G98 VanDerWaalsContact C-N 3.28Å; E96-G98 PolarHBondContact O-N 2.66Å; E96-L99 CarbonylContact O-C 3.58Å; E96-L99 WeakPolarHBondContact O-CA 3.14Å; E96-L99 WeakPolarHBondContact O-CB 3.16Å; E96-L99 PolarHBondContact O-N 2.91Å; E96-I100 HydrophobicContact CG-CD1 3.86Å; E96-I100 HydrophobicContact CG-CG1 4.29Å; E96-I100 WeakPolarHBondContact O-CG1 3.34Å; E96-I100 PolarHBondContact O-N 3.43Å |
| 97 | A | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.2 | -40.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M92 S93 R95 I100 L101 A140 L143 L144 | M92-A97 HydrophobicContact CG-CB 4.2Å; M92-A97 HydrophobicContact SD-CB 4.07Å; S93-A97 WeakPolarHBondContact O-CB 3.34Å; S93-A97 PolarHBondContact O-N 3.45Å; R95-A97 VanDerWaalsContact C-N 3.35Å; R95-A97 PolarHBondContact O-N 2.87Å; A97-I100 PolarHBondContact O-N 2.68Å; A97-L101 PolarHBondContact O-N 3.16Å; A97-L101 VanDerWaalsContact O-N 3.1Å; A97-A140 HydrophobicContact CB-CB 3.73Å; A97-L143 HydrophobicContact CB-CD2 4.03Å; A97-L144 HydrophobicContact CB-CD1 3.93Å; A97-L144 HydrophobicContact CB-CD2 4.13Å; A97-L144 HydrophobicContact CB-CG 3.75Å |
| 98 | G | 96.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R94 R95 E96 G102 V103 | R94-G98 PolarHBondContact O-N 3.36Å; R94-G98 VanDerWaalsContact O-N 3.14Å; R95-G98 PolarHBondContact O-N 3.35Å; E96-G98 VanDerWaalsContact C-N 3.28Å; E96-G98 PolarHBondContact O-N 2.66Å; G98-G102 WeakPolarHBondContact O-CA 3.44Å; G98-G102 PolarHBondContact O-N 3.02Å; G98-V103 CarbonylContact C-O 3.36Å; G98-V103 WeakPolarHBondContact CA-O 3.46Å; G98-V103 PolarHBondContact O-N 3.17Å; G98-V103 VanDerWaalsContact O-O 3.06Å |
| 99 | L | 95.6 | Very high | 94.8 | Very high | 81 Ų | 81 | 65.7 Ų | 65.7 | 42% | 0.424 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 176.1 | -66.4 | 175.1 | 0 | 0 | 0 | 112.2 | Y84 R95 E96 G102 | Y84-L99 HydrophobicContact CE1-CD1 4.22Å; Y84-L99 HydrophobicContact CE2-CD1 4.23Å; Y84-L99 HydrophobicContact CE2-CD2 4.06Å; Y84-L99 WeakPolarHBondContact OH-CD2 3.16Å; R95-L99 WeakPolarHBondContact O-CG 3.24Å; R95-L99 PolarHBondContact O-N 2.99Å; E96-L99 CarbonylContact O-C 3.58Å; E96-L99 WeakPolarHBondContact O-CA 3.14Å; E96-L99 WeakPolarHBondContact O-CB 3.16Å; E96-L99 PolarHBondContact O-N 2.91Å; L99-G102 PolarHBondContact O-N 3.39Å |
| 100 | I | 96.1 | Very high | 94.9 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 13% | 0.128 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 179 | -69 | 172 | 0 | 0 | 0 | 111.2 | F88 M92 E96 A97 K136 I137 A140 | F88-I100 HydrophobicContact CD1-CD1 3.84Å; F88-I100 HydrophobicContact CD1-CG1 4.42Å; F88-I100 HydrophobicContact CE1-CD1 3.66Å; F88-I100 HydrophobicContact CE1-CG1 3.92Å; M92-I100 HydrophobicContact CE-CD1 3.61Å; M92-I100 HydrophobicContact SD-CD1 3.75Å; E96-I100 HydrophobicContact CG-CD1 3.86Å; E96-I100 HydrophobicContact CG-CG1 4.29Å; E96-I100 WeakPolarHBondContact O-CG1 3.34Å; E96-I100 PolarHBondContact O-N 3.43Å; A97-I100 PolarHBondContact O-N 2.68Å; I100-K136 HydrophobicContact CD1-CB 4.43Å; I100-I137 HydrophobicContact CG2-CG1 3.88Å; I100-A140 HydrophobicContact CB-CB 4.16Å; I100-A140 HydrophobicContact CD1-CB 4.29Å; I100-A140 HydrophobicContact CG2-CB 4.06Å |
| 101 | L | 96.8 | Very high | 95 | Very high | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -85.8 | -9.2 | -178.8 | -65.4 | -172.9 | 0 | 0 | 0 | 113.5 | A97 V103 I112 A115 H116 M119 I137 A140 K141 L144 | A97-L101 PolarHBondContact O-N 3.16Å; A97-L101 VanDerWaalsContact O-N 3.1Å; L101-V103 VanDerWaalsContact C-N 3.34Å; L101-V103 HydrophobicContact CB-CG2 3.92Å; L101-I112 HydrophobicContact CD1-CG2 3.98Å; L101-A115 HydrophobicContact CB-CB 4.25Å; L101-A115 WeakPolarHBondContact O-CB 3.46Å; L101-H116 HydrophobicContact CD2-CB 4.34Å; L101-M119 HydrophobicContact CD2-CB 4.44Å; L101-M119 HydrophobicContact CD2-CG 4.36Å; L101-I137 HydrophobicContact CD2-CG2 4.07Å; L101-A140 HydrophobicContact CD1-CB 4.44Å; L101-A140 HydrophobicContact CG-CB 4.12Å; L101-K141 HydrophobicContact CD1-CB 4.32Å; L101-L144 HydrophobicContact CD1-CD1 4.06Å |
| 102 | G | 95.7 | Very high | 95.1 | Very high | 66 Ų | 66 | 54.2 Ų | 54.2 | 68% | 0.68 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 34.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G98 L99 | G98-G102 WeakPolarHBondContact O-CA 3.44Å; G98-G102 PolarHBondContact O-N 3.02Å; L99-G102 PolarHBondContact O-N 3.39Å |
| 103 | V | 96.7 | Very high | 95.2 | Very high | 17 Ų | 17 | 61 Ų | 61 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -129.1 | 158.9 | 179.5 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | G98 L101 A107 A115 L144 | G98-V103 CarbonylContact C-O 3.36Å; G98-V103 WeakPolarHBondContact CA-O 3.46Å; G98-V103 PolarHBondContact O-N 3.17Å; G98-V103 VanDerWaalsContact O-O 3.06Å; L101-V103 VanDerWaalsContact C-N 3.34Å; L101-V103 HydrophobicContact CB-CG2 3.92Å; V103-A107 HydrophobicContact CB-CB 4.05Å; V103-A107 HydrophobicContact CG2-CB 4.25Å; V103-A115 HydrophobicContact CG1-CB 3.59Å; V103-L144 HydrophobicContact CG2-CD1 4.12Å |
| 104 | S | 94.2 | Very high | 95.3 | Very high | 61 Ų | 61 | 64.4 Ų | 64.4 | 43% | 0.427 | 35% | 0.351 | S | S | . | . | trans | -60.5 | 140.9 | 171.5 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | S106 A107 | S104-S106 PolarHBondContact O-N 3.18Å; S104-S106 PolarHBondContact OG-N 2.72Å; S104-A107 WeakPolarHBondContact O-CB 3.45Å; S104-A107 PolarHBondContact O-N 3.4Å | ||
| 105 | P | 92.3 | Very high | 95.4 | Very high | 50 Ų | 50 | 59.2 Ų | 59.2 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -17.6 | 172.2 | -25.4 | 34.7 | 0 | 0 | 0 | 114.4 | R94 | R94-P105 HydrophobicContact CB-CB 4.39Š|
| 106 | S | 91.1 | Very high | 95.5 | Very high | 107 Ų | 107 | 52.2 Ų | 52.2 | 75% | 0.748 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | 15.3 | 176.9 | -52.1 | 0 | 0 | 0 | 0 | 112.8 | S104 | S104-S106 PolarHBondContact O-N 3.18Å; S104-S106 PolarHBondContact OG-N 2.72Å |
| 107 | A | 93.3 | Very high | 95.7 | Very high | 7 Ų | 7 | 58.5 Ų | 58.5 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | trans | -64.3 | 146 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V103 S104 R111 I112 | V103-A107 HydrophobicContact CB-CB 4.05Å; V103-A107 HydrophobicContact CG2-CB 4.25Å; S104-A107 WeakPolarHBondContact O-CB 3.45Å; S104-A107 PolarHBondContact O-N 3.4Å; A107-R111 HydrophobicContact CB-CB 4.37Å; A107-I112 HydrophobicContact CB-CG1 4.31Å; A107-I112 WeakPolarHBondContact O-CD1 3.35Å | ||
| 108 | G | 93.8 | Very high | 95.7 | Very high | 39 Ų | 39 | 67.2 Ų | 67.2 | 40% | 0.402 | 37% | 0.37 | S | S | . | . | trans | -67.4 | 154.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | A110 R111 I112 | G108-A110 VanDerWaalsContact C-N 3.25Å; G108-A110 PolarHBondContact O-N 2.94Å; G108-A110 VanDerWaalsContact O-N 3.13Å; G108-R111 PolarHBondContact O-N 2.69Å; G108-I112 PolarHBondContact O-N 3.24Å | ||
| 109 | K | 94.1 | Very high | 95.8 | Very high | 82 Ų | 82 | 69.5 Ų | 69.5 | 36% | 0.357 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -51.3 | -39.7 | -176.3 | -64.1 | 178.3 | -176.9 | 169.7 | 0 | 113.8 | R111 I112 R113 T148 | K109-R111 PolarHBondContact O-N 2.83Å; K109-I112 PolarHBondContact O-N 3.02Å; K109-R113 WeakPolarHBondContact O-CG 3.34Å; K109-R113 PolarHBondContact O-N 2.67Å; K109-T148 WeakPolarHBondContact CE-O 3.21Å; K109-T148 HydrophobicContact CG-CG2 3.95Å |
| 110 | A | 95 | Very high | 95.9 | Very high | 76 Ų | 76 | 67.1 Ų | 67.1 | 63% | 0.628 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.3 | -43.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G108 R113 T114 | G108-A110 VanDerWaalsContact C-N 3.25Å; G108-A110 PolarHBondContact O-N 2.94Å; G108-A110 VanDerWaalsContact O-N 3.13Å; A110-R113 PolarHBondContact O-N 3.12Å; A110-T114 PolarHBondContact O-N 3.48Å; A110-T114 VanDerWaalsContact O-N 3.13Å; A110-T114 PolarHBondContact O-OG1 2.89Å; A110-T114 VanDerWaalsContact O-OG1 3.08Å |
| 111 | R | 95.7 | Very high | 95.9 | Very high | 157 Ų | 157 | 70.2 Ų | 70.2 | 59% | 0.592 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.9 | -40.1 | 178.1 | -69.6 | -174.2 | 65.4 | -175.3 | 0.4 | 111.8 | A107 G108 K109 T114 A115 | A107-R111 HydrophobicContact CB-CB 4.37Å; G108-R111 PolarHBondContact O-N 2.69Å; K109-R111 PolarHBondContact O-N 2.83Å; R111-T114 PolarHBondContact O-N 2.85Å; R111-A115 VanDerWaalsContact O-CB 3.31Å; R111-A115 WeakPolarHBondContact O-CB 3.35Å; R111-A115 PolarHBondContact O-N 3.27Å |
| 112 | I | 96.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 75.4 Ų | 75.4 | 1% | 0.01 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 177.4 | -62.2 | 166.6 | 0 | 0 | 0 | 110.2 | L101 A107 G108 K109 T114 A115 H116 K141 L144 E145 | L101-I112 HydrophobicContact CD1-CG2 3.98Å; A107-I112 HydrophobicContact CB-CG1 4.31Å; A107-I112 WeakPolarHBondContact O-CD1 3.35Å; G108-I112 PolarHBondContact O-N 3.24Å; K109-I112 PolarHBondContact O-N 3.02Å; I112-T114 PolarHBondContact O-N 3.36Å; I112-A115 PolarHBondContact O-N 2.81Å; I112-H116 WeakPolarHBondContact O-CB 3.24Å; I112-H116 PolarHBondContact O-N 3.08Å; I112-K141 HydrophobicContact CG2-CG 4.32Å; I112-L144 HydrophobicContact CD1-CB 3.72Å; I112-L144 HydrophobicContact CG1-CB 4.34Å; I112-L144 HydrophobicContact CG2-CB 4.26Å; I112-E145 HydrophobicContact CG2-CG 4.21Å |
| 113 | R | 96.6 | Very high | 96 | Very high | 150 Ų | 150 | 74.3 Ų | 74.3 | 57% | 0.566 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.4 | -43 | 179.5 | -71.1 | 177.4 | -174.6 | 178.3 | -0.7 | 112.9 | K109 A110 H116 K117 E145 | K109-R113 WeakPolarHBondContact O-CG 3.34Å; K109-R113 PolarHBondContact O-N 2.67Å; A110-R113 PolarHBondContact O-N 3.12Å; R113-H116 PolarHBondContact O-N 3.43Å; R113-K117 WeakPolarHBondContact O-CB 3.35Å; R113-K117 PolarHBondContact O-N 3.38Å; R113-E145 WeakPolarHBondContact CG-OE1 3.26Å; R113-E145 IonicContact CZ-OE1 2.88Å; R113-E145 IonicContact NE-OE1 3.75Å; R113-E145 PolarHBondContact NE-OE1 3.29Å; R113-E145 IonicContact NH2-OE1 3.19Å |
| 114 | T | 97.9 | Very high | 96 | Very high | 103 Ų | 103 | 76.3 Ų | 76.3 | 63% | 0.632 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.5 | -43.7 | 177.2 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | A110 R111 I112 K117 R118 | A110-T114 PolarHBondContact O-N 3.48Å; A110-T114 VanDerWaalsContact O-N 3.13Å; A110-T114 PolarHBondContact O-OG1 2.89Å; A110-T114 VanDerWaalsContact O-OG1 3.08Å; R111-T114 PolarHBondContact O-N 2.85Å; I112-T114 PolarHBondContact O-N 3.36Å; T114-K117 PolarHBondContact O-N 3.27Å; T114-R118 PolarHBondContact O-N 2.93Å |
| 115 | A | 97.9 | Very high | 96.1 | Very high | 14 Ų | 14 | 75.8 Ų | 75.8 | 12% | 0.116 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L101 V103 R111 I112 K117 R118 M119 | L101-A115 HydrophobicContact CB-CB 4.25Å; L101-A115 WeakPolarHBondContact O-CB 3.46Å; V103-A115 HydrophobicContact CG1-CB 3.59Å; R111-A115 VanDerWaalsContact O-CB 3.31Å; R111-A115 WeakPolarHBondContact O-CB 3.35Å; R111-A115 PolarHBondContact O-N 3.27Å; I112-A115 PolarHBondContact O-N 2.81Å; A115-K117 PolarHBondContact O-N 2.94Å; A115-R118 PolarHBondContact O-N 3.36Å; A115-M119 WeakPolarHBondContact O-CB 3.5Å; A115-M119 WeakPolarHBondContact O-CG 3.26Å; A115-M119 PolarHBondContact O-N 3.38Å |
| 116 | H | 98.1 | Very high | 96.4 | Very high | 35 Ų | 35 | 80 Ų | 80 | 16% | 0.162 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -56.8 | -49.4 | 174.7 | 170.7 | -99.6 | 0 | 0 | 0 | 111.7 | L101 I112 R113 R118 M119 M120 N138 K141 | L101-H116 HydrophobicContact CD2-CB 4.34Å; I112-H116 WeakPolarHBondContact O-CB 3.24Å; I112-H116 PolarHBondContact O-N 3.08Å; R113-H116 PolarHBondContact O-N 3.43Å; H116-R118 VanDerWaalsContact C-N 3.32Å; H116-R118 PolarHBondContact O-N 3.44Å; H116-M119 PolarHBondContact O-N 3.47Å; H116-M120 VanDerWaalsContact O-CB 3.29Å; H116-M120 WeakPolarHBondContact O-CB 3.36Å; H116-M120 PolarHBondContact O-N 2.86Å; H116-N138 PolarHBondContact NE2-OD1 3.17Å; H116-K141 HydrophobicContact CB-CB 4.15Å; H116-K141 HydrophobicContact CB-CG 4Å |
| 117 | K | 98.1 | Very high | 96.6 | Very high | 145 Ų | 145 | 82 Ų | 82 | 63% | 0.63 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -57.9 | -45.2 | 177.4 | -172.6 | 177.4 | -178.1 | -179.7 | 0 | 111.5 | R113 T114 A115 I121 | R113-K117 WeakPolarHBondContact O-CB 3.35Å; R113-K117 PolarHBondContact O-N 3.38Å; T114-K117 PolarHBondContact O-N 3.27Å; A115-K117 PolarHBondContact O-N 2.94Å; K117-I121 HydrophobicContact CG-CD1 3.94Å; K117-I121 WeakPolarHBondContact O-CD1 3.22Å; K117-I121 WeakPolarHBondContact O-CG1 3.5Å; K117-I121 PolarHBondContact O-N 3.48Å; K117-I121 VanDerWaalsContact O-N 3.07Å |
| 118 | R | 98 | Very high | 96.7 | Very high | 184 Ų | 184 | 85.4 Ų | 85.4 | 69% | 0.694 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61 | -49.6 | 177.2 | -178.8 | -178.9 | 176.3 | 178.1 | -0.1 | 111.7 | T114 A115 H116 I121 L122 | T114-R118 PolarHBondContact O-N 2.93Å; A115-R118 PolarHBondContact O-N 3.36Å; H116-R118 VanDerWaalsContact C-N 3.32Å; H116-R118 PolarHBondContact O-N 3.44Å; R118-I121 PolarHBondContact O-N 2.97Å; R118-L122 HydrophobicContact CG-CD1 4.48Å; R118-L122 WeakPolarHBondContact O-CG 3.39Å; R118-L122 PolarHBondContact O-N 3.18Å |
| 119 | M | 97.5 | Very high | 96.8 | Very high | 52 Ų | 52 | 84.4 Ų | 84.4 | 26% | 0.256 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.7 | -39.2 | -178 | -70 | -54.2 | -65.8 | 0 | 0 | 112.3 | L101 A115 H116 L122 N123 I137 | L101-M119 HydrophobicContact CD2-CB 4.44Å; L101-M119 HydrophobicContact CD2-CG 4.36Å; A115-M119 WeakPolarHBondContact O-CB 3.5Å; A115-M119 WeakPolarHBondContact O-CG 3.26Å; A115-M119 PolarHBondContact O-N 3.38Å; H116-M119 PolarHBondContact O-N 3.47Å; M119-L122 PolarHBondContact O-N 3.29Å; M119-N123 WeakPolarHBondContact O-CB 3.2Å; M119-N123 PolarHBondContact O-N 3.47Å; M119-N123 VanDerWaalsContact O-N 3.1Å; M119-N123 PolarHBondContact O-ND2 3.37Å; M119-I137 HydrophobicContact CB-CD1 4.11Å; M119-I137 HydrophobicContact CB-CG1 4.42Å; M119-I137 HydrophobicContact CB-CG2 4.11Å |
| 120 | M | 97.9 | Very high | 96.9 | Very high | 30 Ų | 30 | 83.1 Ų | 83.1 | 15% | 0.148 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 178.4 | -174.8 | 58.2 | 68.6 | 0 | 0 | 112 | H116 L122 N123 H124 A134 I137 N138 | H116-M120 VanDerWaalsContact O-CB 3.29Å; H116-M120 WeakPolarHBondContact O-CB 3.36Å; H116-M120 PolarHBondContact O-N 2.86Å; M120-L122 PolarHBondContact O-N 3.49Å; M120-N123 CarbonylContact O-C 3.54Å; M120-N123 PolarHBondContact O-N 3.49Å; M120-H124 WeakPolarHBondContact O-CA 3.47Å; M120-H124 WeakPolarHBondContact O-CB 3.38Å; M120-H124 PolarHBondContact O-N 3.26Å; M120-A134 HydrophobicContact CE-CB 4.34Å; M120-A134 HydrophobicContact SD-CB 4.11Å; M120-I137 HydrophobicContact CE-CB 4.33Å; M120-I137 HydrophobicContact CE-CG2 4.01Å; M120-N138 WeakPolarHBondContact CE-OD1 3.33Å |
| 121 | I | 97.3 | Very high | 97.1 | Very high | 90 Ų | 90 | 83.9 Ų | 83.9 | 46% | 0.462 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.4 | -39 | 177.3 | -73.1 | 166.4 | 0 | 0 | 0 | 111.3 | K117 R118 | K117-I121 HydrophobicContact CG-CD1 3.94Å; K117-I121 WeakPolarHBondContact O-CD1 3.22Å; K117-I121 WeakPolarHBondContact O-CG1 3.5Å; K117-I121 PolarHBondContact O-N 3.48Å; K117-I121 VanDerWaalsContact O-N 3.07Å; R118-I121 PolarHBondContact O-N 2.97Å |
| 122 | L | 96.3 | Very high | 97.1 | Very high | 117 Ų | 117 | 82.8 Ų | 82.8 | 61% | 0.613 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -75.1 | -29.4 | 180 | -66.3 | 171.6 | 0 | 0 | 0 | 113.1 | R118 M119 M120 | R118-L122 HydrophobicContact CG-CD1 4.48Å; R118-L122 WeakPolarHBondContact O-CG 3.39Å; R118-L122 PolarHBondContact O-N 3.18Å; M119-L122 PolarHBondContact O-N 3.29Å; M120-L122 PolarHBondContact O-N 3.49Å |
| 123 | N | 97.5 | Very high | 97.1 | Very high | 42 Ų | 42 | 84.6 Ų | 84.6 | 23% | 0.225 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -115.3 | 16.2 | -172.1 | -65.8 | -85.7 | 0 | 0 | 0 | 113.4 | M119 M120 V133 I137 | M119-N123 WeakPolarHBondContact O-CB 3.2Å; M119-N123 PolarHBondContact O-N 3.47Å; M119-N123 VanDerWaalsContact O-N 3.1Å; M119-N123 PolarHBondContact O-ND2 3.37Å; M120-N123 CarbonylContact O-C 3.54Å; M120-N123 PolarHBondContact O-N 3.49Å; N123-V133 HydrophobicContact CB-CG1 4.18Å; N123-I137 HydrophobicContact CB-CD1 3.66Å |
| 124 | H | 96.9 | Very high | 97.2 | Very high | 60 Ų | 60 | 77.8 Ų | 77.8 | 28% | 0.278 | 42% | 0.415 | S | S | . | . | trans | -63.1 | 133 | -176.8 | -162.8 | -82.7 | 0 | 0 | 0 | 110.9 | M120 D126 K127 G129 | M120-H124 WeakPolarHBondContact O-CA 3.47Å; M120-H124 WeakPolarHBondContact O-CB 3.38Å; M120-H124 PolarHBondContact O-N 3.26Å; H124-D126 VanDerWaalsContact C-N 3.32Å; H124-D126 VanDerWaalsContact CE1-CG 3.41Å; H124-D126 IonicContact CE1-OD1 3.73Å; H124-D126 IonicContact CE1-OD2 3.88Å; H124-D126 PolarHBondContact CE1-OD2 2.86Å; H124-D126 WeakPolarHBondContact ND1-CB 3.36Å; H124-D126 PolarHBondContact ND1-N 3.08Å; H124-D126 VanDerWaalsContact ND1-N 3.19Å; H124-D126 IonicContact ND1-OD2 3.31Å; H124-D126 PolarHBondContact O-N 3.42Å; H124-K127 HydrophobicContact CB-CB 4.26Å; H124-K127 HydrophobicContact CB-CD 4.29Å; H124-K127 HydrophobicContact CB-CG 4.15Å; H124-K127 PolarHBondContact O-N 2.88Å; H124-G129 WeakPolarHBondContact O-CA 3.45Å; H124-G129 PolarHBondContact O-N 2.99Å | ||
| 125 | P | 97.1 | Very high | 97.2 | Very high | 49 Ų | 49 | 75.4 Ų | 75.4 | 32% | 0.318 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -58 | -42.8 | -177.8 | 21.9 | -33 | 0 | 0 | 0 | 112.7 | K127 G128 G129 P131 | P125-K127 PolarHBondContact O-N 3.34Å; P125-G128 PolarHBondContact O-N 3.31Å; P125-G129 WeakPolarHBondContact CA-O 3.15Å; P125-P131 HydrophobicContact CB-CG 4.16Å |
| 126 | D | 96.7 | Very high | 97.2 | Very high | 140 Ų | 140 | 75.5 Ų | 75.5 | 75% | 0.749 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -66.5 | -10.5 | 178.4 | -51.1 | -6 | 0 | 0 | 0 | 114 | H124 | H124-D126 VanDerWaalsContact C-N 3.32Å; H124-D126 VanDerWaalsContact CE1-CG 3.41Å; H124-D126 IonicContact CE1-OD1 3.73Å; H124-D126 IonicContact CE1-OD2 3.88Å; H124-D126 PolarHBondContact CE1-OD2 2.86Å; H124-D126 WeakPolarHBondContact ND1-CB 3.36Å; H124-D126 PolarHBondContact ND1-N 3.08Å; H124-D126 VanDerWaalsContact ND1-N 3.19Å; H124-D126 IonicContact ND1-OD2 3.31Å; H124-D126 PolarHBondContact O-N 3.42Å |
| 127 | K | 96.4 | Very high | 97.2 | Very high | 149 Ų | 149 | 73.9 Ų | 73.9 | 65% | 0.648 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -106.8 | 18.8 | 175.9 | -59.9 | -172.9 | 179.7 | -172 | 0 | 112.3 | H124 P125 | H124-K127 HydrophobicContact CB-CB 4.26Å; H124-K127 HydrophobicContact CB-CD 4.29Å; H124-K127 HydrophobicContact CB-CG 4.15Å; H124-K127 PolarHBondContact O-N 2.88Å; P125-K127 PolarHBondContact O-N 3.34Å |
| 128 | G | 95.1 | Very high | 97.1 | Very high | 78 Ų | 78 | 70 Ų | 70 | 80% | 0.804 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.7 | 11.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P125 | P125-G128 PolarHBondContact O-N 3.31Š|
| 129 | G | 96.2 | Very high | 97.1 | Very high | 18 Ų | 18 | 64.6 Ų | 64.6 | 19% | 0.186 | 37% | 0.365 | C | S | . | . | trans | -74 | 162 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H124 P125 | H124-G129 WeakPolarHBondContact O-CA 3.45Å; H124-G129 PolarHBondContact O-N 2.99Å; P125-G129 WeakPolarHBondContact CA-O 3.15Å | ||
| 130 | S | 97 | Very high | 97.1 | Very high | 54 Ų | 54 | 62.1 Ų | 62.1 | 38% | 0.378 | 35% | 0.353 | S | S | . | . | trans | -79.6 | 127.3 | 175.3 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | Y132 V133 A134 | S130-Y132 PolarHBondContact O-N 3.23Å; S130-Y132 PolarHBondContact OG-N 3.47Å; S130-V133 PolarHBondContact O-N 2.86Å; S130-V133 VanDerWaalsContact O-N 3.09Å; S130-V133 PolarHBondContact OG-N 2.94Å; S130-A134 PolarHBondContact O-N 3.44Å | ||
| 131 | P | 97.3 | Very high | 97.1 | Very high | 93 Ų | 93 | 63 Ų | 63 | 60% | 0.604 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -54.9 | -35.3 | 173.1 | -25 | 33.2 | 0 | 0 | 0 | 112.5 | P125 A134 A135 | P125-P131 HydrophobicContact CB-CG 4.16Å; P131-A134 PolarHBondContact O-N 2.98Å; P131-A135 WeakPolarHBondContact O-CB 3.26Å; P131-A135 PolarHBondContact O-N 3.48Å |
| 132 | Y | 96.9 | Very high | 97 | Very high | 133 Ų | 133 | 62.7 Ų | 62.7 | 52% | 0.522 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 178.4 | -178.7 | -118 | 0 | 0 | 0 | 112.2 | F88 S130 A135 K136 | F88-Y132 HydrophobicContact CD2-CD1 4.36Å; F88-Y132 AromaticContact CD2-CE1 3.55Å; F88-Y132 HydrophobicContact CD2-CE1 3.55Å; F88-Y132 HydrophobicContact CE2-CD1 4.33Å; F88-Y132 AromaticContact CE2-CE1 3.95Å; F88-Y132 HydrophobicContact CE2-CE1 3.95Å; S130-Y132 PolarHBondContact O-N 3.23Å; S130-Y132 PolarHBondContact OG-N 3.47Å; Y132-A135 PolarHBondContact O-N 3.36Å; Y132-K136 HydrophobicContact CE2-CG 4.48Å; Y132-K136 WeakPolarHBondContact O-CG 3.44Å; Y132-K136 PolarHBondContact O-N 2.87Å |
| 133 | V | 96.7 | Very high | 97 | Very high | 40 Ų | 40 | 59.1 Ų | 59.1 | 24% | 0.242 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 176.3 | 176 | 0 | 0 | 0 | 0 | 110.8 | N123 S130 A135 K136 I137 | N123-V133 HydrophobicContact CB-CG1 4.18Å; S130-V133 PolarHBondContact O-N 2.86Å; S130-V133 VanDerWaalsContact O-N 3.09Å; S130-V133 PolarHBondContact OG-N 2.94Å; V133-A135 VanDerWaalsContact C-N 3.32Å; V133-A135 PolarHBondContact O-N 2.9Å; V133-K136 PolarHBondContact O-N 2.96Å; V133-I137 HydrophobicContact CG1-CD1 3.97Å; V133-I137 WeakPolarHBondContact O-CG1 3.25Å; V133-I137 PolarHBondContact O-N 2.9Å |
| 134 | A | 98 | Very high | 96.8 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M120 S130 P131 K136 I137 N138 | M120-A134 HydrophobicContact CE-CB 4.34Å; M120-A134 HydrophobicContact SD-CB 4.11Å; S130-A134 PolarHBondContact O-N 3.44Å; P131-A134 PolarHBondContact O-N 2.98Å; A134-K136 PolarHBondContact O-N 3.36Å; A134-I137 PolarHBondContact O-N 2.92Å; A134-N138 PolarHBondContact O-N 3.47Å; A134-N138 PolarHBondContact O-ND2 2.97Å |
| 135 | A | 97.5 | Very high | 96.6 | Very high | 53 Ų | 53 | 56.1 Ų | 56.1 | 44% | 0.438 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | P131 Y132 V133 I137 N138 E139 | P131-A135 WeakPolarHBondContact O-CB 3.26Å; P131-A135 PolarHBondContact O-N 3.48Å; Y132-A135 PolarHBondContact O-N 3.36Å; V133-A135 VanDerWaalsContact C-N 3.32Å; V133-A135 PolarHBondContact O-N 2.9Å; A135-I137 VanDerWaalsContact C-N 3.35Å; A135-I137 PolarHBondContact O-N 3.38Å; A135-N138 PolarHBondContact O-N 3.49Å; A135-E139 PolarHBondContact O-N 3.34Å |
| 136 | K | 97.8 | Very high | 96.2 | Very high | 16 Ų | 16 | 57.5 Ų | 57.5 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 176.7 | -74.4 | -75.1 | 170.7 | -167.3 | 0 | 113.2 | F88 E89 M92 I100 Y132 V133 A134 E139 A140 | F88-K136 HydrophobicContact CB-CD 3.92Å; F88-K136 HydrophobicContact CB-CG 4.5Å; F88-K136 HydrophobicContact CD1-CB 4.33Å; F88-K136 HydrophobicContact CD1-CD 4Å; F88-K136 HydrophobicContact CD1-CG 4.11Å; F88-K136 HydrophobicContact CD2-CD 4.15Å; F88-K136 HydrophobicContact CD2-CG 3.77Å; F88-K136 HydrophobicContact CE1-CB 4.07Å; F88-K136 HydrophobicContact CE1-CG 4.25Å; F88-K136 HydrophobicContact CE2-CB 4.28Å; F88-K136 HydrophobicContact CE2-CG 3.91Å; F88-K136 HydrophobicContact CG-CD 3.75Å; F88-K136 HydrophobicContact CG-CG 3.86Å; F88-K136 HydrophobicContact CZ-CB 4.03Å; F88-K136 HydrophobicContact CZ-CG 4.15Å; E89-K136 PolarHBondContact O-NZ 2.92Å; M92-K136 HydrophobicContact CE-CB 4.43Å; M92-K136 HydrophobicContact CE-CD 3.62Å; M92-K136 WeakPolarHBondContact CE-O 3.41Å; I100-K136 HydrophobicContact CD1-CB 4.43Å; Y132-K136 HydrophobicContact CE2-CG 4.48Å; Y132-K136 WeakPolarHBondContact O-CG 3.44Å; Y132-K136 PolarHBondContact O-N 2.87Å; V133-K136 PolarHBondContact O-N 2.96Å; A134-K136 PolarHBondContact O-N 3.36Å; K136-E139 WeakPolarHBondContact CD-OE2 3.37Å; K136-E139 WeakPolarHBondContact CE-OE2 3.41Å; K136-E139 IonicContact NZ-OE2 3.67Å; K136-E139 PolarHBondContact NZ-OE2 3.28Å; K136-E139 PolarHBondContact O-N 3.47Å; K136-A140 WeakPolarHBondContact O-CB 3.26Å; K136-A140 PolarHBondContact O-N 3.3Å |
| 137 | I | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 173.1 | -69.9 | 163.7 | 0 | 0 | 0 | 111.2 | I100 L101 M119 M120 N123 V133 A134 A135 K141 | I100-I137 HydrophobicContact CG2-CG1 3.88Å; L101-I137 HydrophobicContact CD2-CG2 4.07Å; M119-I137 HydrophobicContact CB-CD1 4.11Å; M119-I137 HydrophobicContact CB-CG1 4.42Å; M119-I137 HydrophobicContact CB-CG2 4.11Å; M120-I137 HydrophobicContact CE-CB 4.33Å; M120-I137 HydrophobicContact CE-CG2 4.01Å; N123-I137 HydrophobicContact CB-CD1 3.66Å; V133-I137 HydrophobicContact CG1-CD1 3.97Å; V133-I137 WeakPolarHBondContact O-CG1 3.25Å; V133-I137 PolarHBondContact O-N 2.9Å; A134-I137 PolarHBondContact O-N 2.92Å; A135-I137 VanDerWaalsContact C-N 3.35Å; A135-I137 PolarHBondContact O-N 3.38Å; I137-K141 PolarHBondContact O-N 3.46Å |
| 138 | N | 97.5 | Very high | 93.9 | Very high | 64 Ų | 64 | 46.5 Ų | 46.5 | 34% | 0.342 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.4 | -46.7 | 176 | -72.2 | -26.8 | 0 | 0 | 0 | 111.8 | H116 M120 A134 A135 A140 K141 D142 | H116-N138 PolarHBondContact NE2-OD1 3.17Å; M120-N138 WeakPolarHBondContact CE-OD1 3.33Å; A134-N138 PolarHBondContact O-N 3.47Å; A134-N138 PolarHBondContact O-ND2 2.97Å; A135-N138 PolarHBondContact O-N 3.49Å; N138-A140 VanDerWaalsContact C-N 3.29Å; N138-A140 PolarHBondContact O-N 3.02Å; N138-K141 PolarHBondContact O-N 3.39Å; N138-K141 VanDerWaalsContact O-N 3.13Å; N138-D142 PolarHBondContact O-N 2.9Å |
| 139 | E | 97.4 | Very high | 92.2 | Very high | 71 Ų | 71 | 51 Ų | 51 | 33% | 0.332 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.2 | -42.6 | 176.6 | -173.6 | -177.1 | -171.2 | 0 | 0 | 111.3 | M92 A135 K136 K141 D142 L143 | M92-E139 VanDerWaalsContact CB-CD 3.45Å; M92-E139 HydrophobicContact CB-CG 3.68Å; M92-E139 WeakPolarHBondContact CB-OE1 3.33Å; M92-E139 HydrophobicContact CE-CB 3.87Å; M92-E139 HydrophobicContact CE-CG 3.82Å; M92-E139 WeakPolarHBondContact CE-OE2 3.43Å; M92-E139 HydrophobicContact CG-CG 4.01Å; A135-E139 PolarHBondContact O-N 3.34Å; K136-E139 WeakPolarHBondContact CD-OE2 3.37Å; K136-E139 WeakPolarHBondContact CE-OE2 3.41Å; K136-E139 IonicContact NZ-OE2 3.67Å; K136-E139 PolarHBondContact NZ-OE2 3.28Å; K136-E139 PolarHBondContact O-N 3.47Å; E139-K141 PolarHBondContact O-N 2.97Å; E139-D142 PolarHBondContact O-N 3.45Å; E139-L143 VanDerWaalsContact O-CB 3.31Å; E139-L143 WeakPolarHBondContact O-CB 3.46Å; E139-L143 PolarHBondContact O-N 3.03Å |
| 140 | A | 97.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.1 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M92 A97 I100 L101 K136 N138 L144 | M92-A140 HydrophobicContact CE-CB 4.38Å; M92-A140 HydrophobicContact SD-CB 4.28Å; A97-A140 HydrophobicContact CB-CB 3.73Å; I100-A140 HydrophobicContact CB-CB 4.16Å; I100-A140 HydrophobicContact CD1-CB 4.29Å; I100-A140 HydrophobicContact CG2-CB 4.06Å; L101-A140 HydrophobicContact CD1-CB 4.44Å; L101-A140 HydrophobicContact CG-CB 4.12Å; K136-A140 WeakPolarHBondContact O-CB 3.26Å; K136-A140 PolarHBondContact O-N 3.3Å; N138-A140 VanDerWaalsContact C-N 3.29Å; N138-A140 PolarHBondContact O-N 3.02Å; A140-L144 WeakPolarHBondContact O-CG 3.48Å; A140-L144 PolarHBondContact O-N 2.92Å; A140-L144 VanDerWaalsContact O-N 3.11Å |
| 141 | K | 96.7 | Very high | 89.8 | Confident | 47 Ų | 47 | 64.6 Ų | 64.6 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 178.5 | 171.9 | -124.1 | 160.7 | -142.1 | 0 | 111.1 | L101 I112 H116 I137 N138 E139 L143 L144 E145 | L101-K141 HydrophobicContact CD1-CB 4.32Å; I112-K141 HydrophobicContact CG2-CG 4.32Å; H116-K141 HydrophobicContact CB-CB 4.15Å; H116-K141 HydrophobicContact CB-CG 4Å; I137-K141 PolarHBondContact O-N 3.46Å; N138-K141 PolarHBondContact O-N 3.39Å; N138-K141 VanDerWaalsContact O-N 3.13Å; E139-K141 PolarHBondContact O-N 2.97Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 PolarHBondContact O-N 3.38Å; K141-L144 PolarHBondContact O-N 3.44Å; K141-E145 WeakPolarHBondContact CE-OE2 3.25Å; K141-E145 IonicContact NZ-OE2 2.83Å; K141-E145 PolarHBondContact NZ-OE2 3.08Å; K141-E145 WeakPolarHBondContact O-CB 3.4Å; K141-E145 WeakPolarHBondContact O-CG 3.42Å; K141-E145 PolarHBondContact O-N 2.97Å |
| 142 | D | 96.3 | Very high | 89.4 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.7 | -35.3 | -178.1 | -64.4 | -24.5 | 0 | 0 | 0 | 111.9 | N138 E139 S146 | N138-D142 PolarHBondContact O-N 2.9Å; E139-D142 PolarHBondContact O-N 3.45Å; D142-S146 WeakPolarHBondContact O-CB 3.43Å; D142-S146 PolarHBondContact O-N 3.31Å; D142-S146 VanDerWaalsContact O-N 3.08Å; D142-S146 PolarHBondContact O-OG 3.18Å |
| 143 | L | 95.8 | Very high | 89 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 23% | 0.225 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 175.9 | -172.3 | 137.6 | 0 | 0 | 0 | 112.7 | M92 R94 A97 E139 K141 S146 G147 | M92-L143 HydrophobicContact CB-CD1 3.93Å; M92-L143 HydrophobicContact CG-CB 4.33Å; M92-L143 HydrophobicContact CG-CD1 3.85Å; M92-L143 HydrophobicContact CG-CG 4.5Å; M92-L143 WeakPolarHBondContact O-CD1 3.46Å; R94-L143 VanDerWaalsContact CA-CD2 3.47Å; R94-L143 HydrophobicContact CB-CD2 4.09Å; R94-L143 HydrophobicContact CG-CD2 3.55Å; A97-L143 HydrophobicContact CB-CD2 4.03Å; E139-L143 VanDerWaalsContact O-CB 3.31Å; E139-L143 WeakPolarHBondContact O-CB 3.46Å; E139-L143 PolarHBondContact O-N 3.03Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 PolarHBondContact O-N 3.38Å; L143-S146 PolarHBondContact O-OG 3.46Å; L143-G147 PolarHBondContact O-N 2.9Å |
| 144 | L | 94.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -74.5 | -39.5 | 177.5 | -67.5 | 175.2 | 0 | 0 | 0 | 112.1 | A97 L101 V103 I112 A140 K141 S146 G147 T148 | A97-L144 HydrophobicContact CB-CD1 3.93Å; A97-L144 HydrophobicContact CB-CD2 4.13Å; A97-L144 HydrophobicContact CB-CG 3.75Å; L101-L144 HydrophobicContact CD1-CD1 4.06Å; V103-L144 HydrophobicContact CG2-CD1 4.12Å; I112-L144 HydrophobicContact CD1-CB 3.72Å; I112-L144 HydrophobicContact CG1-CB 4.34Å; I112-L144 HydrophobicContact CG2-CB 4.26Å; A140-L144 WeakPolarHBondContact O-CG 3.48Å; A140-L144 PolarHBondContact O-N 2.92Å; A140-L144 VanDerWaalsContact O-N 3.11Å; K141-L144 PolarHBondContact O-N 3.44Å; L144-S146 PolarHBondContact O-N 2.94Å; L144-G147 PolarHBondContact O-N 3.49Å; L144-T148 PolarHBondContact O-N 2.99Å; L144-T148 PolarHBondContact O-OG1 3.1Å |
| 145 | E | 92.8 | Very high | 87.9 | Confident | 35 Ų | 35 | 63.7 Ų | 63.7 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.6 | -35.5 | 177.6 | -75.4 | -164.4 | 143.7 | 0 | 0 | 113.1 | I112 R113 K141 | I112-E145 HydrophobicContact CG2-CG 4.21Å; R113-E145 WeakPolarHBondContact CG-OE1 3.26Å; R113-E145 IonicContact CZ-OE1 2.88Å; R113-E145 IonicContact NE-OE1 3.75Å; R113-E145 PolarHBondContact NE-OE1 3.29Å; R113-E145 IonicContact NH2-OE1 3.19Å; K141-E145 WeakPolarHBondContact CE-OE2 3.25Å; K141-E145 IonicContact NZ-OE2 2.83Å; K141-E145 PolarHBondContact NZ-OE2 3.08Å; K141-E145 WeakPolarHBondContact O-CB 3.4Å; K141-E145 WeakPolarHBondContact O-CG 3.42Å; K141-E145 PolarHBondContact O-N 2.97Å |
| 146 | S | 87.9 | Confident | 87.3 | Confident | 79 Ų | 79 | 64.4 Ų | 64.4 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.1 | -34.7 | 175.4 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | D142 L143 L144 | D142-S146 WeakPolarHBondContact O-CB 3.43Å; D142-S146 PolarHBondContact O-N 3.31Å; D142-S146 VanDerWaalsContact O-N 3.08Å; D142-S146 PolarHBondContact O-OG 3.18Å; L143-S146 PolarHBondContact O-OG 3.46Å; L144-S146 PolarHBondContact O-N 2.94Å |
| 147 | G | 76.7 | Confident | 86.5 | Confident | 12 Ų | 12 | 67.9 Ų | 67.9 | 12% | 0.124 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71.7 | -24.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L143 L144 K149 | L143-G147 PolarHBondContact O-N 2.9Å; L144-G147 PolarHBondContact O-N 3.49Å; G147-K149 VanDerWaalsContact C-N 3.34Å |
| 148 | T | 68.3 | Low | 85.6 | Confident | 46 Ų | 46 | 73 Ų | 73 | 28% | 0.282 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 10 | 179.5 | -42.7 | 0 | 0 | 0 | 0 | 113.3 | K109 L144 R150 | K109-T148 WeakPolarHBondContact CE-O 3.21Å; K109-T148 HydrophobicContact CG-CG2 3.95Å; L144-T148 PolarHBondContact O-N 2.99Å; L144-T148 PolarHBondContact O-OG1 3.1Å; T148-R150 PolarHBondContact O-N 3.07Å |
| 149 | K | 59.9 | Low | 84.7 | Confident | 173 Ų | 173 | 73.8 Ų | 73.8 | 75% | 0.752 | 35% | 0.35 | S | S | * | . | trans | -81.6 | 13.1 | 173.9 | -85.4 | -170.7 | 177.5 | -176.7 | 0 | 114 | G147 | G147-K149 VanDerWaalsContact C-N 3.34Š| ||
| 150 | R | 52 | Low | 83.5 | Confident | 292 Ų | 292 | 74 Ų | 74 | 100% | 1.102 | 35% | 0.352 | S | S | * | . | trans | -98.6 | 0 | 176.2 | -68.7 | -171.7 | -178.8 | -171.3 | -1 | 111.2 | T148 | T148-R150 PolarHBondContact O-N 3.07Š|
Retrieved 150 of 150 residues in 58.2 ms
(Link to these results)