| 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 | 36.9 | Very low | 29.1 | Very low | 248 Ų | 248 | 141.9 Ų | 141.9 | 100% | 1.222 | 84% | 0.835 | S | S | * | * | 0 | 105.8 | 0 | -83.3 | 171.4 | 150.6 | 0 | 0 | 107.6 | |||||
| 2 | S | 23.9 | Very low | 28.8 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | trans | -82.6 | 173.8 | 159.1 | -47.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | P | 36.7 | Very low | 29 | Very low | 107 Ų | 107 | 151.6 Ų | 151.6 | 70% | 0.695 | 85% | 0.846 | S | S | * | * | -119 | -159 | -66.6 | 35.5 | -19 | 0 | 0 | 0 | 109.6 | |||||
| 4 | P | 28.4 | Very low | 29.1 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 86% | 0.857 | 84% | 0.843 | S | S | * | * | -132.3 | 149.3 | 124.1 | 36.2 | -26.2 | 0 | 0 | 0 | 114.3 | |||||
| 5 | T | 30.7 | Very low | 29 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 69% | 0.693 | 84% | 0.838 | S | S | * | * | trans | -95.8 | 163.2 | -176.9 | -14.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 6 | N | 27.3 | Very low | 29.1 | Very low | 141 Ų | 141 | 144.6 Ų | 144.6 | 75% | 0.754 | 84% | 0.84 | S | S | * | * | trans | 82.3 | 118.3 | 156.8 | -63 | -10.3 | 0 | 0 | 0 | 118.8 | ||||
| 7 | Q | 28.2 | Very low | 29.3 | Very low | 194 Ų | 194 | 142.3 Ų | 142.3 | 91% | 0.907 | 84% | 0.842 | S | S | * | * | -171.3 | 134.3 | 91.6 | -100.2 | 176.8 | -3.1 | 0 | 0 | 112.2 | |||||
| 8 | E | 26.9 | Very low | 29.2 | Very low | 187 Ų | 187 | 139.1 Ų | 139.1 | 87% | 0.874 | 84% | 0.844 | S | S | * | * | trans | -61.7 | 148.2 | 164.5 | -67.1 | 170.3 | 120.9 | 0 | 0 | 111.3 | ||||
| 9 | S | 27.1 | Very low | 29.2 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 88% | 0.881 | 84% | 0.843 | S | S | * | * | trans | -143.5 | 127.1 | 148.5 | -169.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 10 | S | 27.4 | Very low | 29.2 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 85% | 0.846 | S | S | * | * | trans | -81.3 | 161.7 | -173.5 | -49.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 11 | A | 26.5 | Very low | 29.2 | Very low | 92 Ų | 92 | 133 Ų | 133 | 76% | 0.76 | 85% | 0.845 | S | S | * | * | trans | 76.2 | 120 | 141 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 12 | L | 25.8 | Very low | 28.8 | Very low | 176 Ų | 176 | 128.4 Ų | 128.4 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | -158.8 | 114.9 | 122.1 | -98.6 | 151.4 | 0 | 0 | 0 | 109.8 | |||||
| 13 | R | 31.4 | Very low | 29.1 | Very low | 234 Ų | 234 | 128.6 Ų | 128.6 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -73 | 160.2 | 163.9 | -79.5 | -179.8 | 170.4 | -174.4 | -2.5 | 109.8 | ||||
| 14 | P | 30.4 | Very low | 28.6 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 81% | 0.805 | 83% | 0.832 | S | S | * | * | -133.9 | 128.7 | 111 | 20.6 | -1.4 | 0 | 0 | 0 | 111.1 | |||||
| 15 | A | 28.1 | Very low | 28.7 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 78% | 0.777 | 83% | 0.83 | S | S | * | * | 86.2 | 97 | 87.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 16 | S | 29.7 | Very low | 28.8 | Very low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 84% | 0.839 | S | S | * | * | trans | -73.6 | 136.4 | 164.9 | 51.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 17 | A | 32.1 | Very low | 28.8 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 88% | 0.876 | 84% | 0.838 | S | S | * | * | trans | -125.4 | 121.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 18 | G | 28.5 | Very low | 29.3 | Very low | 84 Ų | 84 | 130.1 Ų | 130.1 | 87% | 0.866 | 84% | 0.84 | S | S | * | * | trans | -82.8 | 165.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 19 | G | 28.8 | Very low | 29.7 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | -176.4 | 124.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 20 | S | 30 | Very low | 30.1 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -94 | 163.8 | -157.8 | -28.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 21 | G | 28.7 | Very low | 30.6 | Very low | 81 Ų | 81 | 125 Ų | 125 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | 95.8 | 145.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 22 | D | 28 | Very low | 31.2 | Very low | 152 Ų | 152 | 125.6 Ų | 125.6 | 81% | 0.813 | 84% | 0.841 | S | S | * | * | cis | -165.5 | 170.8 | 0.3 | -175.9 | 17 | 0 | 0 | 0 | 105.8 | ||||
| 23 | C | 30 | Very low | 31.9 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -46.7 | 149.2 | -175.8 | -59.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 24 | G | 27.4 | Very low | 32.5 | Very low | 80 Ų | 80 | 119.9 Ų | 119.9 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | 175.3 | 131.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 25 | Q | 30.1 | Very low | 33.6 | Very low | 177 Ų | 177 | 119.2 Ų | 119.2 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | trans | -79.4 | 161.6 | -168.7 | -68.1 | 168 | -31.2 | 0 | 0 | 115.3 | ||||
| 26 | H | 31.6 | Very low | 34.5 | Very low | 187 Ų | 187 | 120.8 Ų | 120.8 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | 67.3 | 123.6 | 146.6 | -75.2 | 9.5 | 0 | 0 | 0 | 119.8 | ||||
| 27 | G | 28.6 | Very low | 35.3 | Very low | 73 Ų | 73 | 118.3 Ų | 118.3 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | 169.4 | 76.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V29 | G27-V29 PolarHBondContact O-N 3.31Š| ||
| 28 | H | 39 | Very low | 36.3 | Very low | 201 Ų | 201 | 116.3 Ų | 116.3 | 93% | 0.931 | 77% | 0.769 | S | S | * | * | trans | -65.3 | 114.3 | 166.2 | -144.5 | 39 | 0 | 0 | 0 | 108 | ||||
| 29 | V | 34.6 | Very low | 37.4 | Very low | 140 Ų | 140 | 119.2 Ų | 119.2 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | trans | -130.4 | 113.4 | 161.6 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | G27 | G27-V29 PolarHBondContact O-N 3.31Š| ||
| 30 | A | 35.1 | Very low | 38.6 | Very low | 92 Ų | 92 | 118.3 Ų | 118.3 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | trans | -68.5 | 140.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 31 | G | 38.8 | Very low | 39.8 | Very low | 77 Ų | 77 | 115.2 Ų | 115.2 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | 80.2 | 71.1 | 125 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 32 | A | 38.5 | Very low | 41.1 | Very low | 106 Ų | 106 | 112.6 Ų | 112.6 | 88% | 0.876 | 70% | 0.7 | S | S | * | * | trans | -116.3 | 89.8 | 144 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 33 | R | 40.1 | Very low | 42.5 | Very low | 215 Ų | 215 | 109.2 Ų | 109.2 | 81% | 0.811 | 68% | 0.678 | S | S | * | * | trans | -80.1 | 136 | 164.7 | -96.1 | -177.1 | 173.5 | -176.8 | -1.8 | 108.2 | ||||
| 34 | P | 44.2 | Very low | 44 | Very low | 75 Ų | 75 | 106.7 Ų | 106.7 | 49% | 0.487 | 66% | 0.661 | S | S | . | * | trans | -76.8 | 164.7 | -171.6 | 23.7 | -17.7 | 0 | 0 | 0 | 112.4 | I36 V37 | P34-I36 PolarHBondContact O-N 3.29Å; P34-V37 PolarHBondContact O-N 2.93Å | ||
| 35 | P | 54.4 | Low | 46.1 | Very low | 109 Ų | 109 | 104.8 Ų | 104.8 | 71% | 0.708 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -54.4 | -16.7 | -178.8 | 18.4 | -32.5 | 0 | 0 | 0 | 115.8 | V37 A38 M39 | P35-V37 PolarHBondContact O-N 3.19Å; P35-A38 PolarHBondContact O-N 3.42Å; P35-M39 PolarHBondContact O-N 3.47Å |
| 36 | I | 47.2 | Very low | 48.2 | Very low | 128 Ų | 128 | 97 Ų | 97 | 66% | 0.656 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.8 | -37.6 | -179 | -61.3 | 170.3 | 0 | 0 | 0 | 112.2 | P34 M39 A40 | P34-I36 PolarHBondContact O-N 3.29Å; I36-M39 PolarHBondContact O-N 3.08Å; I36-A40 PolarHBondContact O-N 3.42Å; I36-A40 VanDerWaalsContact O-N 3.08Å |
| 37 | V | 46.5 | Very low | 50.4 | Low | 71 Ų | 71 | 89.2 Ų | 89.2 | 43% | 0.43 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.7 | -35.7 | -178.9 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | P34 P35 A41 | P34-V37 PolarHBondContact O-N 2.93Å; P35-V37 PolarHBondContact O-N 3.19Å; V37-A41 WeakPolarHBondContact O-CB 3.43Å; V37-A41 PolarHBondContact O-N 2.97Å; V37-A41 VanDerWaalsContact O-N 3.14Å |
| 38 | A | 53.1 | Low | 53 | Low | 64 Ų | 64 | 91.4 Ų | 91.4 | 53% | 0.529 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.6 | -37.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P35 A41 A42 | P35-A38 PolarHBondContact O-N 3.42Å; A38-A41 PolarHBondContact O-N 3.15Å; A38-A42 PolarHBondContact O-N 3.32Å; A38-A42 VanDerWaalsContact O-N 3.08Å |
| 39 | M | 51.3 | Low | 55.3 | Low | 146 Ų | 146 | 86.5 Ų | 86.5 | 72% | 0.719 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.6 | -42.6 | 177.7 | -164.4 | 172.3 | -178.3 | 0 | 0 | 112.1 | P35 I36 A42 F43 | P35-M39 PolarHBondContact O-N 3.47Å; I36-M39 PolarHBondContact O-N 3.08Å; M39-A42 PolarHBondContact O-N 3.19Å; M39-F43 WeakPolarHBondContact O-CB 3.42Å; M39-F43 PolarHBondContact O-N 3.14Å |
| 40 | A | 52.8 | Low | 57.8 | Low | 61 Ų | 61 | 79.8 Ų | 79.8 | 50% | 0.504 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | I36 F43 C44 | I36-A40 PolarHBondContact O-N 3.42Å; I36-A40 VanDerWaalsContact O-N 3.08Å; A40-F43 PolarHBondContact O-N 2.99Å; A40-C44 WeakPolarHBondContact O-CB 3.36Å; A40-C44 PolarHBondContact O-N 3.13Å; A40-C44 VanDerWaalsContact O-N 3.09Å |
| 41 | A | 55.3 | Low | 60.4 | Low | 64 Ų | 64 | 78.6 Ų | 78.6 | 53% | 0.529 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.2 | -40.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V37 A38 C44 S45 | V37-A41 WeakPolarHBondContact O-CB 3.43Å; V37-A41 PolarHBondContact O-N 2.97Å; V37-A41 VanDerWaalsContact O-N 3.14Å; A38-A41 PolarHBondContact O-N 3.15Å; A41-C44 PolarHBondContact O-N 3.24Å; A41-S45 PolarHBondContact O-N 2.69Å |
| 42 | A | 56.9 | Low | 62.9 | Low | 26 Ų | 26 | 78.9 Ų | 78.9 | 22% | 0.215 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -70.4 | -35.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A38 M39 C44 S45 V46 | A38-A42 PolarHBondContact O-N 3.32Å; A38-A42 VanDerWaalsContact O-N 3.08Å; M39-A42 PolarHBondContact O-N 3.19Å; A42-C44 VanDerWaalsContact C-N 3.33Å; A42-C44 PolarHBondContact O-N 3.18Å; A42-S45 PolarHBondContact O-N 3.22Å; A42-S45 PolarHBondContact O-OG 3.08Å; A42-V46 PolarHBondContact O-N 3.44Å |
| 43 | F | 56.6 | Low | 65.5 | Low | 80 Ų | 80 | 74.1 Ų | 74.1 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 172.6 | -171.4 | -88.1 | 0 | 0 | 0 | 111.6 | M39 A40 S45 V46 V47 S96 P98 | M39-F43 WeakPolarHBondContact O-CB 3.42Å; M39-F43 PolarHBondContact O-N 3.14Å; A40-F43 PolarHBondContact O-N 2.99Å; F43-S45 PolarHBondContact O-N 2.95Å; F43-V46 PolarHBondContact O-N 3.49Å; F43-V47 HydrophobicContact CD1-CG2 4.49Å; F43-V47 HydrophobicContact CE1-CG2 4.38Å; F43-V47 PolarHBondContact O-N 3.45Å; F43-S96 WeakPolarHBondContact CZ-O 3.4Å; F43-P98 HydrophobicContact CD2-CG 3.57Å; F43-P98 HydrophobicContact CE1-CG 4.33Å; F43-P98 HydrophobicContact CE2-CG 3.15Å; F43-P98 HydrophobicContact CG-CG 4.34Å; F43-P98 VanDerWaalsContact CZ-CD 3.48Å; F43-P98 HydrophobicContact CZ-CG 3.6Å |
| 44 | C | 62.7 | Low | 68.2 | Low | 69 Ų | 69 | 64 Ų | 64 | 47% | 0.466 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.2 | -18.5 | 177.3 | -168.3 | 0 | 0 | 0 | 0 | 113.4 | A40 A41 A42 R48 | A40-C44 WeakPolarHBondContact O-CB 3.36Å; A40-C44 PolarHBondContact O-N 3.13Å; A40-C44 VanDerWaalsContact O-N 3.09Å; A41-C44 PolarHBondContact O-N 3.24Å; A42-C44 VanDerWaalsContact C-N 3.33Å; A42-C44 PolarHBondContact O-N 3.18Å; C44-R48 PolarHBondContact O-NH2 3.09Å |
| 45 | S | 70.6 | Confident | 70.6 | Confident | 40 Ų | 40 | 64 Ų | 64 | 28% | 0.28 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -80.4 | -38.2 | 174.4 | 63.6 | 0 | 0 | 0 | 0 | 113.3 | A41 A42 F43 R49 N151 | A41-S45 PolarHBondContact O-N 2.69Å; A42-S45 PolarHBondContact O-N 3.22Å; A42-S45 PolarHBondContact O-OG 3.08Å; F43-S45 PolarHBondContact O-N 2.95Å; S45-R49 WeakPolarHBondContact O-CB 3.09Å; S45-R49 PolarHBondContact O-N 3.11Å; S45-R49 VanDerWaalsContact O-N 3.12Å; S45-N151 PolarHBondContact OG-OD1 3.42Å |
| 46 | V | 73.4 | Confident | 72.5 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.9 | -51.7 | 177.8 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | A42 F43 R48 R49 V50 P98 N151 | A42-V46 PolarHBondContact O-N 3.44Å; F43-V46 PolarHBondContact O-N 3.49Å; V46-R48 VanDerWaalsContact C-N 3.35Å; V46-R48 PolarHBondContact O-N 3.4Å; V46-R49 PolarHBondContact O-N 3.3Å; V46-R49 VanDerWaalsContact O-N 3.12Å; V46-V50 HydrophobicContact CG1-CG2 4.09Å; V46-V50 WeakPolarHBondContact O-CB 3.46Å; V46-V50 WeakPolarHBondContact O-CG2 3.37Å; V46-V50 PolarHBondContact O-N 3.49Å; V46-P98 HydrophobicContact CG1-CB 4.21Å; V46-N151 HydrophobicContact CG2-CB 3.38Å; V46-N151 WeakPolarHBondContact CG2-OD1 3.24Å |
| 47 | V | 79.4 | Confident | 74.9 | Confident | 23 Ų | 23 | 58.4 Ų | 58.4 | 14% | 0.139 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.9 | -48.8 | -174.8 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | F43 R49 V50 E51 L101 | F43-V47 HydrophobicContact CD1-CG2 4.49Å; F43-V47 HydrophobicContact CE1-CG2 4.38Å; F43-V47 PolarHBondContact O-N 3.45Å; V47-R49 VanDerWaalsContact C-N 3.32Å; V47-R49 PolarHBondContact O-N 2.98Å; V47-V50 PolarHBondContact O-N 3.02Å; V47-E51 WeakPolarHBondContact O-CB 3.44Å; V47-E51 PolarHBondContact O-N 3.09Å; V47-L101 HydrophobicContact CB-CD1 4.23Å; V47-L101 HydrophobicContact CG1-CD1 3.85Å; V47-L101 HydrophobicContact CG2-CD1 3.84Å |
| 48 | R | 82.7 | Confident | 77.3 | Confident | 120 Ų | 120 | 56.6 Ų | 56.6 | 45% | 0.453 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 177.6 | -166.7 | -167.8 | -41.7 | 108.8 | 13.7 | 112.1 | C44 V46 E51 E52 | C44-R48 PolarHBondContact O-NH2 3.09Å; V46-R48 VanDerWaalsContact C-N 3.35Å; V46-R48 PolarHBondContact O-N 3.4Å; R48-E51 PolarHBondContact O-N 3.16Å; R48-E52 WeakPolarHBondContact O-CG 3.48Å; R48-E52 PolarHBondContact O-N 3.24Å |
| 49 | R | 86.3 | Confident | 79.4 | Confident | 97 Ų | 97 | 56.1 Ų | 56.1 | 37% | 0.366 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.2 | -42.2 | -178.7 | -174.3 | 61.7 | 179.9 | 155.9 | 6.4 | 111.9 | S45 V46 V47 E51 E52 L53 L147 | S45-R49 WeakPolarHBondContact O-CB 3.09Å; S45-R49 PolarHBondContact O-N 3.11Å; S45-R49 VanDerWaalsContact O-N 3.12Å; V46-R49 PolarHBondContact O-N 3.3Å; V46-R49 VanDerWaalsContact O-N 3.12Å; V47-R49 VanDerWaalsContact C-N 3.32Å; V47-R49 PolarHBondContact O-N 2.98Å; R49-E51 VanDerWaalsContact C-N 3.31Å; R49-E52 IonicContact NH1-OE2 2.64Å; R49-E52 PolarHBondContact NH1-OE2 3.47Å; R49-E52 PolarHBondContact O-N 2.68Å; R49-L53 HydrophobicContact CG-CD1 4.24Å; R49-L53 WeakPolarHBondContact O-CB 3.38Å; R49-L53 WeakPolarHBondContact O-CG 3.35Å; R49-L53 PolarHBondContact O-N 3.22Å; R49-L147 HydrophobicContact CB-CD2 4.38Å; R49-L147 HydrophobicContact CG-CD2 3.41Å; R49-L147 VanDerWaalsContact CG-CD2 3.41Å |
| 50 | V | 88.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 175.7 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | V46 V47 G54 L85 L101 L102 Y105 L147 | V46-V50 HydrophobicContact CG1-CG2 4.09Å; V46-V50 WeakPolarHBondContact O-CB 3.46Å; V46-V50 WeakPolarHBondContact O-CG2 3.37Å; V46-V50 PolarHBondContact O-N 3.49Å; V47-V50 PolarHBondContact O-N 3.02Å; V50-G54 PolarHBondContact O-N 3.04Å; V50-L85 HydrophobicContact CG1-CD1 3.71Å; V50-L85 HydrophobicContact CG1-CD2 4.37Å; V50-L85 HydrophobicContact CG1-CG 4.29Å; V50-L101 HydrophobicContact CG1-CB 4.14Å; V50-L102 HydrophobicContact CG2-CD1 4.27Å; V50-Y105 HydrophobicContact CG1-CG 4.37Å; V50-L147 HydrophobicContact CG2-CD1 4.17Å |
| 51 | E | 89.6 | Confident | 83.6 | Confident | 66 Ų | 66 | 47.9 Ų | 47.9 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.3 | -49.6 | 173.8 | -172.7 | 177.4 | -159.9 | 0 | 0 | 112.1 | V47 R48 R49 L53 G54 D55 C89 | V47-E51 WeakPolarHBondContact O-CB 3.44Å; V47-E51 PolarHBondContact O-N 3.09Å; R48-E51 PolarHBondContact O-N 3.16Å; R49-E51 VanDerWaalsContact C-N 3.31Å; E51-L53 VanDerWaalsContact C-N 3.34Å; E51-L53 PolarHBondContact O-N 3.13Å; E51-G54 WeakPolarHBondContact O-CA 3.41Å; E51-G54 PolarHBondContact O-N 3.37Å; E51-G54 VanDerWaalsContact O-N 3.14Å; E51-D55 PolarHBondContact O-N 3.13Å; E51-C89 HydrophobicContact CG-CB 4.23Å |
| 52 | E | 91.4 | Very high | 85.5 | Confident | 84 Ų | 84 | 49 Ų | 49 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.5 | -45 | 177.2 | -74.5 | 167.7 | -168.1 | 0 | 0 | 112.4 | R48 R49 D55 L56 | R48-E52 WeakPolarHBondContact O-CG 3.48Å; R48-E52 PolarHBondContact O-N 3.24Å; R49-E52 IonicContact NH1-OE2 2.64Å; R49-E52 PolarHBondContact NH1-OE2 3.47Å; R49-E52 PolarHBondContact O-N 2.68Å; E52-D55 PolarHBondContact O-N 3.43Å; E52-L56 WeakPolarHBondContact O-CG 3.31Å; E52-L56 PolarHBondContact O-N 3.18Å |
| 53 | L | 93.7 | Very high | 87.3 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.2 | -33.1 | 177.8 | -70 | 175 | 0 | 0 | 0 | 112.1 | R49 E51 L56 A57 Y105 E143 L147 | R49-L53 HydrophobicContact CG-CD1 4.24Å; R49-L53 WeakPolarHBondContact O-CB 3.38Å; R49-L53 WeakPolarHBondContact O-CG 3.35Å; R49-L53 PolarHBondContact O-N 3.22Å; E51-L53 VanDerWaalsContact C-N 3.34Å; E51-L53 PolarHBondContact O-N 3.13Å; L53-L56 HydrophobicContact CD2-CD1 4.16Å; L53-L56 PolarHBondContact O-N 3.18Å; L53-A57 WeakPolarHBondContact O-CB 3.4Å; L53-A57 PolarHBondContact O-N 3Å; L53-Y105 HydrophobicContact CB-CE2 3.77Å; L53-E143 HydrophobicContact CD1-CG 3.84Å; L53-E143 WeakPolarHBondContact CD2-OE2 3.45Å; L53-L147 HydrophobicContact CD1-CD1 3.57Å; L53-L147 HydrophobicContact CD1-CD2 3.6Å; L53-L147 HydrophobicContact CD1-CG 3.94Å |
| 54 | G | 94.9 | Very high | 89.1 | Confident | 4 Ų | 4 | 51 Ų | 51 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V50 E51 L56 A57 Q58 | V50-G54 PolarHBondContact O-N 3.04Å; E51-G54 WeakPolarHBondContact O-CA 3.41Å; E51-G54 PolarHBondContact O-N 3.37Å; E51-G54 VanDerWaalsContact O-N 3.14Å; G54-L56 VanDerWaalsContact C-N 3.33Å; G54-L56 PolarHBondContact O-N 3.5Å; G54-A57 PolarHBondContact O-N 3.24Å; G54-Q58 WeakPolarHBondContact O-CB 3.38Å; G54-Q58 PolarHBondContact O-N 3.43Å |
| 55 | D | 94.6 | Very high | 90.5 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 40% | 0.396 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.4 | -38.2 | 176.7 | -78 | -28.3 | 0 | 0 | 0 | 112 | E51 E52 Q58 A59 K86 | E51-D55 PolarHBondContact O-N 3.13Å; E52-D55 PolarHBondContact O-N 3.43Å; D55-Q58 PolarHBondContact O-N 3.42Å; D55-A59 PolarHBondContact O-N 3.16Å; D55-K86 IonicContact OD1-NZ 3.87Å; D55-K86 PolarHBondContact OD1-NZ 3.48Å |
| 56 | L | 95.9 | Very high | 91.5 | Very high | 116 Ų | 116 | 52.8 Ų | 52.8 | 61% | 0.607 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65.9 | -45.2 | 175.1 | -72.1 | 170.7 | 0 | 0 | 0 | 112.2 | E52 L53 G54 Q58 A59 H60 | E52-L56 WeakPolarHBondContact O-CG 3.31Å; E52-L56 PolarHBondContact O-N 3.18Å; L53-L56 HydrophobicContact CD2-CD1 4.16Å; L53-L56 PolarHBondContact O-N 3.18Å; G54-L56 VanDerWaalsContact C-N 3.33Å; G54-L56 PolarHBondContact O-N 3.5Å; L56-Q58 VanDerWaalsContact C-N 3.3Å; L56-Q58 PolarHBondContact O-N 3.25Å; L56-A59 PolarHBondContact O-N 3.48Å; L56-H60 PolarHBondContact O-N 3.47Å; L56-H60 VanDerWaalsContact O-N 3.13Å |
| 57 | A | 96.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L53 G54 A59 H60 I61 L82 I109 | L53-A57 WeakPolarHBondContact O-CB 3.4Å; L53-A57 PolarHBondContact O-N 3Å; G54-A57 PolarHBondContact O-N 3.24Å; A57-A59 PolarHBondContact O-N 3.05Å; A57-H60 PolarHBondContact O-N 3.02Å; A57-I61 WeakPolarHBondContact O-CD1 3.18Å; A57-I61 VanDerWaalsContact O-CG1 3.31Å; A57-I61 WeakPolarHBondContact O-CG1 3.49Å; A57-I61 PolarHBondContact O-N 3.46Å; A57-L82 HydrophobicContact CB-CD1 3.79Å; A57-I109 HydrophobicContact CB-CD1 4.17Å |
| 58 | Q | 97.4 | Very high | 92.4 | Very high | 33 Ų | 33 | 57.5 Ų | 57.5 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.4 | -172.9 | 64 | 29.5 | 0 | 0 | 111.7 | G54 D55 L56 H60 I61 Q62 S79 L82 | G54-Q58 WeakPolarHBondContact O-CB 3.38Å; G54-Q58 PolarHBondContact O-N 3.43Å; D55-Q58 PolarHBondContact O-N 3.42Å; L56-Q58 VanDerWaalsContact C-N 3.3Å; L56-Q58 PolarHBondContact O-N 3.25Å; Q58-H60 VanDerWaalsContact C-N 3.3Å; Q58-H60 PolarHBondContact O-N 3.35Å; Q58-I61 PolarHBondContact O-N 3.47Å; Q58-Q62 PolarHBondContact O-N 3.47Å; Q58-S79 PolarHBondContact NE2-OG 3.38Å; Q58-L82 HydrophobicContact CB-CD1 3.97Å |
| 59 | A | 96.7 | Very high | 92.1 | Very high | 55 Ų | 55 | 53.8 Ų | 53.8 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | D55 L56 A57 Q63 | D55-A59 PolarHBondContact O-N 3.16Å; L56-A59 PolarHBondContact O-N 3.48Å; A57-A59 PolarHBondContact O-N 3.05Å; A59-Q63 WeakPolarHBondContact O-CG 3.18Å; A59-Q63 PolarHBondContact O-N 3.04Å |
| 60 | H | 96 | Very high | 91.6 | Very high | 32 Ų | 32 | 55.8 Ų | 55.8 | 15% | 0.148 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -45.8 | 175.2 | -166.8 | 77.5 | 0 | 0 | 0 | 111.9 | L56 A57 Q58 Q62 Q63 L64 M112 E116 E136 | L56-H60 PolarHBondContact O-N 3.47Å; L56-H60 VanDerWaalsContact O-N 3.13Å; A57-H60 PolarHBondContact O-N 3.02Å; Q58-H60 VanDerWaalsContact C-N 3.3Å; Q58-H60 PolarHBondContact O-N 3.35Å; H60-Q62 VanDerWaalsContact C-N 3.27Å; H60-Q62 PolarHBondContact O-N 3.46Å; H60-Q63 WeakPolarHBondContact O-CB 3.49Å; H60-Q63 PolarHBondContact O-N 3.18Å; H60-Q63 VanDerWaalsContact O-N 3.15Å; H60-L64 WeakPolarHBondContact O-CG 3.3Å; H60-L64 PolarHBondContact O-N 3.41Å; H60-M112 HydrophobicContact CB-SD 4.37Å; H60-M112 VanDerWaalsContact CD2-SD 3.58Å; H60-E116 IonicContact CD2-OE2 3.83Å; H60-E116 IonicContact NE2-OE1 2.56Å; H60-E116 IonicContact NE2-OE2 2.83Å; H60-E116 PolarHBondContact NE2-OE2 3.14Å; H60-E136 IonicContact CE1-OE1 3.21Å |
| 61 | I | 96.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.5 | -39.4 | 176.5 | -70.7 | 159.6 | 0 | 0 | 0 | 111.5 | A57 Q58 L64 S65 L75 A78 L82 M112 | A57-I61 WeakPolarHBondContact O-CD1 3.18Å; A57-I61 VanDerWaalsContact O-CG1 3.31Å; A57-I61 WeakPolarHBondContact O-CG1 3.49Å; A57-I61 PolarHBondContact O-N 3.46Å; Q58-I61 PolarHBondContact O-N 3.47Å; I61-L64 PolarHBondContact O-N 2.75Å; I61-S65 WeakPolarHBondContact O-CB 3.38Å; I61-S65 PolarHBondContact O-N 3.39Å; I61-S65 PolarHBondContact O-OG 3.25Å; I61-L75 HydrophobicContact CG2-CB 4.23Å; I61-L75 HydrophobicContact CG2-CD2 4.48Å; I61-A78 HydrophobicContact CD1-CB 3.59Å; I61-A78 HydrophobicContact CG1-CB 4.32Å; I61-L82 HydrophobicContact CD1-CD1 3.59Å; I61-M112 HydrophobicContact CD1-CB 4.34Å; I61-M112 HydrophobicContact CD1-CG 4.43Å; I61-M112 HydrophobicContact CD1-SD 4.27Å; I61-M112 HydrophobicContact CG1-CB 4.09Å; I61-M112 HydrophobicContact CG1-CG 3.74Å; I61-M112 HydrophobicContact CG1-SD 3.76Å |
| 62 | Q | 94.9 | Very high | 91.6 | Very high | 86 Ų | 86 | 61.5 Ų | 61.5 | 40% | 0.402 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.8 | -45.8 | 176.5 | -176.4 | 59.1 | 39.5 | 0 | 0 | 111.5 | Q58 H60 L64 S65 E66 | Q58-Q62 PolarHBondContact O-N 3.47Å; H60-Q62 VanDerWaalsContact C-N 3.27Å; H60-Q62 PolarHBondContact O-N 3.46Å; Q62-L64 VanDerWaalsContact C-N 3.32Å; Q62-L64 PolarHBondContact O-N 2.76Å; Q62-S65 PolarHBondContact O-N 3.36Å; Q62-E66 PolarHBondContact NE2-OE1 3.12Å; Q62-E66 WeakPolarHBondContact O-CG 3.37Å; Q62-E66 PolarHBondContact O-N 3.38Å |
| 63 | Q | 94.5 | Very high | 91.7 | Very high | 127 Ų | 127 | 62.2 Ų | 62.2 | 59% | 0.593 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 175.8 | -68.6 | 177.1 | 1.4 | 0 | 0 | 112.1 | A59 H60 A67 | A59-Q63 WeakPolarHBondContact O-CG 3.18Å; A59-Q63 PolarHBondContact O-N 3.04Å; H60-Q63 WeakPolarHBondContact O-CB 3.49Å; H60-Q63 PolarHBondContact O-N 3.18Å; H60-Q63 VanDerWaalsContact O-N 3.15Å; Q63-A67 PolarHBondContact O-N 3.46Å |
| 64 | L | 94.6 | Very high | 91.8 | Very high | 23 Ų | 23 | 63.6 Ų | 63.6 | 12% | 0.12 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 176.5 | -66.5 | 176 | 0 | 0 | 0 | 111.9 | H60 I61 Q62 A67 A68 L75 M112 F115 E116 | H60-L64 WeakPolarHBondContact O-CG 3.3Å; H60-L64 PolarHBondContact O-N 3.41Å; I61-L64 PolarHBondContact O-N 2.75Å; Q62-L64 VanDerWaalsContact C-N 3.32Å; Q62-L64 PolarHBondContact O-N 2.76Å; L64-A67 PolarHBondContact O-N 3.43Å; L64-A68 VanDerWaalsContact O-CB 3.27Å; L64-A68 WeakPolarHBondContact O-CB 3.39Å; L64-A68 PolarHBondContact O-N 2.96Å; L64-L75 HydrophobicContact CB-CD1 3.76Å; L64-L75 HydrophobicContact CB-CD2 4.18Å; L64-L75 HydrophobicContact CD1-CD2 4.06Å; L64-M112 HydrophobicContact CD1-CG 3.98Å; L64-F115 HydrophobicContact CB-CE1 4.36Å; L64-F115 HydrophobicContact CD1-CD1 4.37Å; L64-F115 HydrophobicContact CD2-CE1 4.47Å; L64-E116 HydrophobicContact CD1-CG 3.74Å; L64-E116 HydrophobicContact CD2-CG 4.15Å; L64-E116 WeakPolarHBondContact CD2-OE1 3.49Å |
| 65 | S | 93.1 | Very high | 91.9 | Very high | 17 Ų | 17 | 63.4 Ų | 63.4 | 12% | 0.119 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.6 | -41.6 | -178.9 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | I61 Q62 A67 A68 G69 | I61-S65 WeakPolarHBondContact O-CB 3.38Å; I61-S65 PolarHBondContact O-N 3.39Å; I61-S65 PolarHBondContact O-OG 3.25Å; Q62-S65 PolarHBondContact O-N 3.36Å; S65-A67 VanDerWaalsContact C-N 3.27Å; S65-A67 PolarHBondContact O-N 3.1Å; S65-A68 PolarHBondContact O-N 3.1Å; S65-G69 CarbonylContact O-C 3.33Å; S65-G69 PolarHBondContact O-N 3.47Å |
| 66 | E | 91.4 | Very high | 92 | Very high | 128 Ų | 128 | 64.1 Ų | 64.1 | 60% | 0.598 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.3 | -36.3 | 174.3 | -72.5 | 169.7 | -164 | 0 | 0 | 112.2 | Q62 | Q62-E66 PolarHBondContact NE2-OE1 3.12Å; Q62-E66 WeakPolarHBondContact O-CG 3.37Å; Q62-E66 PolarHBondContact O-N 3.38Å |
| 67 | A | 88.8 | Confident | 92.1 | Very high | 85 Ų | 85 | 64.1 Ų | 64.1 | 70% | 0.702 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -78.7 | -28.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q63 L64 S65 | Q63-A67 PolarHBondContact O-N 3.46Å; L64-A67 PolarHBondContact O-N 3.43Å; S65-A67 VanDerWaalsContact C-N 3.27Å; S65-A67 PolarHBondContact O-N 3.1Å |
| 68 | A | 83.6 | Confident | 92.1 | Very high | 51 Ų | 51 | 64 Ų | 64 | 42% | 0.421 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -94.2 | -16 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L64 S65 L75 F115 | L64-A68 VanDerWaalsContact O-CB 3.27Å; L64-A68 WeakPolarHBondContact O-CB 3.39Å; L64-A68 PolarHBondContact O-N 2.96Å; S65-A68 PolarHBondContact O-N 3.1Å; A68-L75 HydrophobicContact CB-CD1 4.45Å; A68-F115 HydrophobicContact CB-CE1 4.46Å; A68-F115 HydrophobicContact CB-CE2 4.07Å; A68-F115 HydrophobicContact CB-CZ 3.55Å |
| 69 | G | 75.3 | Confident | 92.1 | Very high | 41 Ų | 41 | 63.9 Ų | 63.9 | 42% | 0.423 | 35% | 0.35 | S | S | . | . | trans | 85.1 | 128.2 | -160.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | S65 D71 | S65-G69 CarbonylContact O-C 3.33Å; S65-G69 PolarHBondContact O-N 3.47Å; G69-D71 PolarHBondContact O-N 3.07Å | ||
| 70 | E | 75.3 | Confident | 92.1 | Very high | 140 Ų | 140 | 64.1 Ų | 64.1 | 65% | 0.654 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 4.4 | -162.8 | -60.4 | 179.4 | 166.2 | 0 | 0 | 116.4 | ||
| 71 | D | 84.9 | Confident | 92.2 | Very high | 146 Ų | 146 | 63.1 Ų | 63.1 | 78% | 0.781 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 8 | -169.8 | -65.2 | -37.6 | 0 | 0 | 0 | 114.2 | G69 H73 | G69-D71 PolarHBondContact O-N 3.07Å; D71-H73 PolarHBondContact O-N 3.2Å |
| 72 | D | 93.8 | Very high | 92.2 | Very high | 40 Ų | 40 | 63.3 Ų | 63.3 | 21% | 0.214 | 35% | 0.35 | C | S | . | . | trans | -67.7 | 120.7 | 178.1 | -173.8 | -87.6 | 0 | 0 | 0 | 111.9 | F74 L75 I76 F115 | D72-F74 VanDerWaalsContact C-N 3.3Å; D72-F74 PolarHBondContact O-N 3.07Å; D72-F74 WeakPolarHBondContact OD1-CB 3.49Å; D72-F74 PolarHBondContact OD1-N 3.41Å; D72-L75 HydrophobicContact CB-CB 4.31Å; D72-L75 HydrophobicContact CB-CD1 4.15Å; D72-L75 HydrophobicContact CB-CG 4.15Å; D72-L75 PolarHBondContact O-N 2.88Å; D72-L75 PolarHBondContact OD1-N 3.12Å; D72-I76 VanDerWaalsContact O-CG1 3.29Å; D72-I76 WeakPolarHBondContact O-CG1 3.34Å; D72-I76 PolarHBondContact O-N 3.38Å; D72-F115 HydrophobicContact CB-CD2 4.29Å; D72-F115 HydrophobicContact CB-CE2 4.14Å; D72-F115 VanDerWaalsContact CG-CD2 3.42Å; D72-F115 WeakPolarHBondContact OD1-CD2 3.35Å | ||
| 73 | H | 94 | Very high | 92.2 | Very high | 98 Ų | 98 | 63.6 Ų | 63.6 | 45% | 0.454 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.7 | -25.6 | -172.6 | 76.1 | -73.9 | 0 | 0 | 0 | 114.7 | D71 R77 | D71-H73 PolarHBondContact O-N 3.2Å; H73-R77 WeakPolarHBondContact O-CB 3.34Å; H73-R77 PolarHBondContact O-N 3.41Å; H73-R77 VanDerWaalsContact O-N 3.15Å |
| 74 | F | 95.5 | Very high | 92.2 | Very high | 34 Ų | 34 | 63.3 Ų | 63.3 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.8 | -44.3 | 175.7 | -65.2 | -70.3 | 0 | 0 | 0 | 110.3 | D72 I76 R77 A78 D111 Y114 F115 | D72-F74 VanDerWaalsContact C-N 3.3Å; D72-F74 PolarHBondContact O-N 3.07Å; D72-F74 WeakPolarHBondContact OD1-CB 3.49Å; D72-F74 PolarHBondContact OD1-N 3.41Å; F74-I76 PolarHBondContact O-N 2.96Å; F74-R77 PolarHBondContact O-N 2.87Å; F74-A78 WeakPolarHBondContact O-CB 3.46Å; F74-A78 PolarHBondContact O-N 3Å; F74-D111 HydrophobicContact CB-CB 4.48Å; F74-Y114 AromaticContact CD1-CD1 3.8Å; F74-Y114 HydrophobicContact CD1-CD1 3.8Å; F74-Y114 HydrophobicContact CD1-CE1 4.41Å; F74-Y114 AromaticContact CD2-CD1 3.82Å; F74-Y114 HydrophobicContact CD2-CD1 3.82Å; F74-Y114 HydrophobicContact CD2-CE1 4.2Å; F74-Y114 AromaticContact CE1-CD1 3.46Å; F74-Y114 HydrophobicContact CE1-CD1 3.46Å; F74-Y114 VanDerWaalsContact CE1-CD1 3.46Å; F74-Y114 AromaticContact CE1-CE1 3.64Å; F74-Y114 HydrophobicContact CE1-CE1 3.64Å; F74-Y114 HydrophobicContact CE1-CG 4.38Å; F74-Y114 AromaticContact CE2-CD1 3.44Å; F74-Y114 HydrophobicContact CE2-CD1 3.44Å; F74-Y114 VanDerWaalsContact CE2-CD1 3.44Å; F74-Y114 AromaticContact CE2-CE1 3.36Å; F74-Y114 HydrophobicContact CE2-CE1 3.36Å; F74-Y114 AromaticContact CG-CD1 3.99Å; F74-Y114 HydrophobicContact CG-CD1 3.99Å; F74-Y114 AromaticContact CZ-CD1 3.3Å; F74-Y114 HydrophobicContact CZ-CD1 3.3Å; F74-Y114 AromaticContact CZ-CE1 3.06Å; F74-Y114 HydrophobicContact CZ-CE1 3.06Å; F74-F115 HydrophobicContact CB-CB 4.28Å |
| 75 | L | 96.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 176.7 | -60.9 | -175.9 | 0 | 0 | 0 | 111.8 | I61 L64 A68 D72 R77 A78 S79 F115 | I61-L75 HydrophobicContact CG2-CB 4.23Å; I61-L75 HydrophobicContact CG2-CD2 4.48Å; L64-L75 HydrophobicContact CB-CD1 3.76Å; L64-L75 HydrophobicContact CB-CD2 4.18Å; L64-L75 HydrophobicContact CD1-CD2 4.06Å; A68-L75 HydrophobicContact CB-CD1 4.45Å; D72-L75 HydrophobicContact CB-CB 4.31Å; D72-L75 HydrophobicContact CB-CD1 4.15Å; D72-L75 HydrophobicContact CB-CG 4.15Å; D72-L75 PolarHBondContact O-N 2.88Å; D72-L75 PolarHBondContact OD1-N 3.12Å; L75-R77 VanDerWaalsContact C-N 3.35Å; L75-R77 PolarHBondContact O-N 3.4Å; L75-A78 PolarHBondContact O-N 3.43Å; L75-S79 VanDerWaalsContact O-CB 3.3Å; L75-S79 WeakPolarHBondContact O-CB 3.29Å; L75-S79 PolarHBondContact O-N 3.24Å; L75-F115 HydrophobicContact CD1-CD1 4.06Å; L75-F115 HydrophobicContact CD1-CD2 4.32Å; L75-F115 HydrophobicContact CD1-CE1 4.01Å; L75-F115 HydrophobicContact CD1-CE2 4.26Å; L75-F115 HydrophobicContact CD1-CG 4.23Å; L75-F115 HydrophobicContact CD1-CZ 4.13Å; L75-F115 HydrophobicContact CD2-CB 3.97Å; L75-F115 HydrophobicContact CD2-CD1 3.84Å; L75-F115 HydrophobicContact CD2-CG 3.87Å; L75-F115 HydrophobicContact CG-CB 4.37Å; L75-F115 HydrophobicContact CG-CD1 4.16Å; L75-F115 HydrophobicContact CG-CD2 4.19Å; L75-F115 HydrophobicContact CG-CG 3.96Å |
| 76 | I | 96.6 | Very high | 92.1 | Very high | 88 Ų | 88 | 65.9 Ų | 65.9 | 45% | 0.451 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60 | -45 | 173.1 | -69.3 | 166.8 | 0 | 0 | 0 | 110.8 | D72 F74 S79 A80 | D72-I76 VanDerWaalsContact O-CG1 3.29Å; D72-I76 WeakPolarHBondContact O-CG1 3.34Å; D72-I76 PolarHBondContact O-N 3.38Å; F74-I76 PolarHBondContact O-N 2.96Å; I76-S79 PolarHBondContact O-N 3Å; I76-A80 WeakPolarHBondContact O-CB 3.41Å; I76-A80 PolarHBondContact O-N 3.01Å |
| 77 | R | 97 | Very high | 92 | Very high | 117 Ų | 117 | 65.3 Ų | 65.3 | 44% | 0.442 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 179.3 | -169.5 | -175.5 | -56 | 151.1 | 0.8 | 111.9 | H73 F74 L75 A80 A81 D111 | H73-R77 WeakPolarHBondContact O-CB 3.34Å; H73-R77 PolarHBondContact O-N 3.41Å; H73-R77 VanDerWaalsContact O-N 3.15Å; F74-R77 PolarHBondContact O-N 2.87Å; L75-R77 VanDerWaalsContact C-N 3.35Å; L75-R77 PolarHBondContact O-N 3.4Å; R77-A80 PolarHBondContact O-N 2.94Å; R77-A81 PolarHBondContact O-N 3.21Å; R77-D111 WeakPolarHBondContact CD-OD2 3.3Å; R77-D111 WeakPolarHBondContact CG-OD2 3.29Å; R77-D111 IonicContact NH1-OD1 2.93Å; R77-D111 PolarHBondContact NH1-OD1 3.45Å; R77-D111 VanDerWaalsContact NH1-OD1 3.14Å |
| 78 | A | 97.5 | Very high | 92 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | I61 F74 L75 A80 A81 L82 A108 D111 M112 | I61-A78 HydrophobicContact CD1-CB 3.59Å; I61-A78 HydrophobicContact CG1-CB 4.32Å; F74-A78 WeakPolarHBondContact O-CB 3.46Å; F74-A78 PolarHBondContact O-N 3Å; L75-A78 PolarHBondContact O-N 3.43Å; A78-A80 PolarHBondContact O-N 3.4Å; A78-A81 WeakPolarHBondContact O-CB 3.5Å; A78-A81 PolarHBondContact O-N 2.99Å; A78-L82 WeakPolarHBondContact O-CG 3.49Å; A78-L82 PolarHBondContact O-N 3.47Å; A78-L82 VanDerWaalsContact O-N 3.09Å; A78-A108 HydrophobicContact CB-CB 4.33Å; A78-A108 WeakPolarHBondContact CB-O 3.21Å; A78-D111 HydrophobicContact CB-CB 3.94Å; A78-M112 HydrophobicContact CB-CB 4.31Å |
| 79 | S | 97.2 | Very high | 92 | Very high | 31 Ų | 31 | 61.8 Ų | 61.8 | 22% | 0.217 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 175.4 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | Q58 L75 I76 A81 L82 E83 | Q58-S79 PolarHBondContact NE2-OG 3.38Å; L75-S79 VanDerWaalsContact O-CB 3.3Å; L75-S79 WeakPolarHBondContact O-CB 3.29Å; L75-S79 PolarHBondContact O-N 3.24Å; I76-S79 PolarHBondContact O-N 3Å; S79-A81 VanDerWaalsContact C-N 3.3Å; S79-A81 PolarHBondContact O-N 2.65Å; S79-L82 PolarHBondContact O-N 2.94Å; S79-L82 VanDerWaalsContact O-N 3.15Å; S79-E83 WeakPolarHBondContact O-CG 3.38Å; S79-E83 PolarHBondContact O-N 3.44Å |
| 80 | A | 97.2 | Very high | 91.8 | Very high | 59 Ų | 59 | 63 Ų | 63 | 49% | 0.488 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.9 | -35.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I76 R77 A78 K84 | I76-A80 WeakPolarHBondContact O-CB 3.41Å; I76-A80 PolarHBondContact O-N 3.01Å; R77-A80 PolarHBondContact O-N 2.94Å; A78-A80 PolarHBondContact O-N 3.4Å; A80-K84 WeakPolarHBondContact O-CB 3.46Å; A80-K84 PolarHBondContact O-N 3.49Å; A80-K84 VanDerWaalsContact O-N 3.11Å |
| 81 | A | 97.2 | Very high | 91.2 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.9 | -40.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R77 A78 S79 K84 L85 L104 A108 | R77-A81 PolarHBondContact O-N 3.21Å; A78-A81 WeakPolarHBondContact O-CB 3.5Å; A78-A81 PolarHBondContact O-N 2.99Å; S79-A81 VanDerWaalsContact C-N 3.3Å; S79-A81 PolarHBondContact O-N 2.65Å; A81-K84 PolarHBondContact O-N 2.99Å; A81-L85 WeakPolarHBondContact O-CB 3.45Å; A81-L85 PolarHBondContact O-N 2.66Å; A81-L104 HydrophobicContact CB-CD2 4.5Å; A81-A108 HydrophobicContact CB-CB 4.18Å |
| 82 | L | 97 | Very high | 89.8 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.1 | -37.3 | 177.4 | -65.8 | 178.6 | 0 | 0 | 0 | 112.8 | A57 Q58 I61 A78 S79 K84 L85 K86 Y105 A108 | A57-L82 HydrophobicContact CB-CD1 3.79Å; Q58-L82 HydrophobicContact CB-CD1 3.97Å; I61-L82 HydrophobicContact CD1-CD1 3.59Å; A78-L82 WeakPolarHBondContact O-CG 3.49Å; A78-L82 PolarHBondContact O-N 3.47Å; A78-L82 VanDerWaalsContact O-N 3.09Å; S79-L82 PolarHBondContact O-N 2.94Å; S79-L82 VanDerWaalsContact O-N 3.15Å; L82-K84 VanDerWaalsContact C-N 3.33Å; L82-K84 PolarHBondContact O-N 3.39Å; L82-L85 HydrophobicContact CD2-CD1 4.25Å; L82-L85 WeakPolarHBondContact O-CB 3.35Å; L82-L85 PolarHBondContact O-N 2.84Å; L82-K86 WeakPolarHBondContact O-CB 3.18Å; L82-K86 PolarHBondContact O-N 2.79Å; L82-Y105 HydrophobicContact CD2-CD2 4.33Å; L82-A108 HydrophobicContact CD1-CB 4.1Å; L82-A108 HydrophobicContact CD2-CB 3.56Å; L82-A108 HydrophobicContact CG-CB 3.54Å |
| 83 | E | 95.4 | Very high | 87.9 | Confident | 92 Ų | 92 | 71 Ų | 71 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 172 | -74.4 | -59.8 | 142.7 | 0 | 0 | 111.3 | S79 L85 K86 L87 | S79-E83 WeakPolarHBondContact O-CG 3.38Å; S79-E83 PolarHBondContact O-N 3.44Å; E83-L85 VanDerWaalsContact C-N 3.33Å; E83-L85 PolarHBondContact O-N 2.56Å; E83-K86 PolarHBondContact O-N 3.46Å; E83-L87 WeakPolarHBondContact O-CG 3.49Å; E83-L87 PolarHBondContact O-N 3.43Å |
| 84 | K | 94.4 | Very high | 85.9 | Confident | 122 Ų | 122 | 75.5 Ų | 75.5 | 53% | 0.53 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 174.2 | -174.6 | 176.6 | 173.4 | -172.6 | 0 | 112.1 | A80 A81 L82 L87 L88 L104 | A80-K84 WeakPolarHBondContact O-CB 3.46Å; A80-K84 PolarHBondContact O-N 3.49Å; A80-K84 VanDerWaalsContact O-N 3.11Å; A81-K84 PolarHBondContact O-N 2.99Å; L82-K84 VanDerWaalsContact C-N 3.33Å; L82-K84 PolarHBondContact O-N 3.39Å; K84-L87 PolarHBondContact O-N 3.23Å; K84-L88 HydrophobicContact CG-CD1 4.46Å; K84-L88 WeakPolarHBondContact O-CG 3.35Å; K84-L88 PolarHBondContact O-N 2.87Å; K84-L104 HydrophobicContact CB-CD1 4.29Å; K84-L104 HydrophobicContact CD-CD1 4.14Å; K84-L104 HydrophobicContact CD-CD2 3.86Å; K84-L104 HydrophobicContact CG-CD1 3.89Å; K84-L104 HydrophobicContact CG-CD2 4.37Å |
| 85 | L | 93.3 | Very high | 83.8 | Confident | 3 Ų | 3 | 79.4 Ų | 79.4 | 2% | 0.016 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.2 | -46.9 | 174.9 | 178.1 | 163 | 0 | 0 | 0 | 110.8 | V50 A81 L82 E83 L87 L88 C89 L101 L104 | V50-L85 HydrophobicContact CG1-CD1 3.71Å; V50-L85 HydrophobicContact CG1-CD2 4.37Å; V50-L85 HydrophobicContact CG1-CG 4.29Å; A81-L85 WeakPolarHBondContact O-CB 3.45Å; A81-L85 PolarHBondContact O-N 2.66Å; L82-L85 HydrophobicContact CD2-CD1 4.25Å; L82-L85 WeakPolarHBondContact O-CB 3.35Å; L82-L85 PolarHBondContact O-N 2.84Å; E83-L85 VanDerWaalsContact C-N 3.33Å; E83-L85 PolarHBondContact O-N 2.56Å; L85-L87 PolarHBondContact O-N 2.94Å; L85-L88 PolarHBondContact O-N 3.22Å; L85-L88 VanDerWaalsContact O-N 3.13Å; L85-C89 PolarHBondContact O-N 2.88Å; L85-C89 PolarHBondContact O-SG 2.95Å; L85-L101 WeakPolarHBondContact CD1-O 3.27Å; L85-L101 HydrophobicContact CG-CD2 4.38Å; L85-L104 HydrophobicContact CB-CB 4.14Å; L85-L104 HydrophobicContact CB-CD1 4.26Å; L85-L104 HydrophobicContact CD1-CB 4.39Å |
| 86 | K | 91.5 | Very high | 82.2 | Confident | 91 Ų | 91 | 80.2 Ų | 80.2 | 40% | 0.396 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | -179.7 | -168.9 | 170.5 | -166.2 | 138 | 0 | 112.6 | D55 L82 E83 L88 C89 G90 | D55-K86 IonicContact OD1-NZ 3.87Å; D55-K86 PolarHBondContact OD1-NZ 3.48Å; L82-K86 WeakPolarHBondContact O-CB 3.18Å; L82-K86 PolarHBondContact O-N 2.79Å; E83-K86 PolarHBondContact O-N 3.46Å; K86-L88 VanDerWaalsContact C-N 3.34Å; K86-L88 PolarHBondContact O-N 3.11Å; K86-C89 PolarHBondContact O-N 3.15Å; K86-G90 PolarHBondContact O-N 3.28Å |
| 87 | L | 90.1 | Very high | 81.2 | Confident | 115 Ų | 115 | 79.8 Ų | 79.8 | 60% | 0.602 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.4 | -44.8 | 173.9 | -69.3 | 172.8 | 0 | 0 | 0 | 111.6 | E83 K84 L85 C89 G90 E91 | E83-L87 WeakPolarHBondContact O-CG 3.49Å; E83-L87 PolarHBondContact O-N 3.43Å; K84-L87 PolarHBondContact O-N 3.23Å; L85-L87 PolarHBondContact O-N 2.94Å; L87-C89 VanDerWaalsContact C-N 3.28Å; L87-C89 PolarHBondContact O-N 3.09Å; L87-G90 PolarHBondContact O-N 2.9Å; L87-G90 VanDerWaalsContact O-N 3.13Å; L87-E91 PolarHBondContact O-N 3.32Å |
| 88 | L | 87.6 | Confident | 80.4 | Confident | 53 Ų | 53 | 74.9 Ų | 74.9 | 28% | 0.277 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.6 | -22.1 | 178.9 | -67.6 | 174 | 0 | 0 | 0 | 113.7 | K84 L85 K86 S96 L101 L104 | K84-L88 HydrophobicContact CG-CD1 4.46Å; K84-L88 WeakPolarHBondContact O-CG 3.35Å; K84-L88 PolarHBondContact O-N 2.87Å; L85-L88 PolarHBondContact O-N 3.22Å; L85-L88 VanDerWaalsContact O-N 3.13Å; K86-L88 VanDerWaalsContact C-N 3.34Å; K86-L88 PolarHBondContact O-N 3.11Å; L88-S96 WeakPolarHBondContact O-CB 3.48Å; L88-S96 PolarHBondContact O-OG 3.4Å; L88-L101 HydrophobicContact CB-CD2 3.53Å; L88-L101 HydrophobicContact CD1-CD2 4.26Å; L88-L104 HydrophobicContact CD1-CD1 3.62Å |
| 89 | C | 84.1 | Confident | 79.7 | Confident | 9 Ų | 9 | 76.6 Ų | 76.6 | 6% | 0.061 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -77.9 | -27.2 | 171.2 | -69.7 | 0 | 0 | 0 | 0 | 112.7 | E51 L85 K86 L87 | E51-C89 HydrophobicContact CG-CB 4.23Å; L85-C89 PolarHBondContact O-N 2.88Å; L85-C89 PolarHBondContact O-SG 2.95Å; K86-C89 PolarHBondContact O-N 3.15Å; L87-C89 VanDerWaalsContact C-N 3.28Å; L87-C89 PolarHBondContact O-N 3.09Å |
| 90 | G | 72.4 | Confident | 79.3 | Confident | 66 Ų | 66 | 78.8 Ų | 78.8 | 68% | 0.68 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -86.4 | -26.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | K86 L87 | K86-G90 PolarHBondContact O-N 3.28Å; L87-G90 PolarHBondContact O-N 2.9Å; L87-G90 VanDerWaalsContact O-N 3.13Å |
| 91 | E | 62.4 | Low | 78.9 | Confident | 128 Ų | 128 | 76 Ų | 76 | 60% | 0.598 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -70 | 148.9 | 174.3 | -68 | 179.2 | 174.7 | 0 | 0 | 111 | L87 K93 | L87-E91 PolarHBondContact O-N 3.32Å; E91-K93 PolarHBondContact O-N 3.2Å |
| 92 | E | 54.5 | Low | 78.5 | Confident | 176 Ų | 176 | 75.6 Ų | 75.6 | 82% | 0.822 | 39% | 0.394 | S | S | * | . | trans | -27.7 | 112.9 | -169.3 | -68.2 | -178.7 | 165.8 | 0 | 0 | 114.7 | E94 C95 | E92-E94 PolarHBondContact O-N 2.99Å; E92-C95 PolarHBondContact O-N 2.84Å | ||
| 93 | K | 54.2 | Low | 78.3 | Confident | 191 Ų | 191 | 80.2 Ų | 80.2 | 83% | 0.83 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 3.2 | -171 | -68.8 | -179.1 | 175.8 | -180 | 0 | 117.2 | E91 | E91-K93 PolarHBondContact O-N 3.2Š|
| 94 | E | 51.8 | Low | 78.3 | Confident | 193 Ų | 193 | 77 Ų | 77 | 90% | 0.902 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -5.3 | -179.7 | -73.4 | -175.2 | 156.7 | 0 | 0 | 114.2 | E92 | E92-E94 PolarHBondContact O-N 2.99Š|
| 95 | C | 51.2 | Low | 78.4 | Confident | 115 Ų | 115 | 71.2 Ų | 71.2 | 78% | 0.777 | 38% | 0.376 | S | S | * | . | trans | -128.9 | -4 | -171 | -142.3 | 0 | 0 | 0 | 0 | 118 | E92 N97 | E92-C95 PolarHBondContact O-N 2.84Å; C95-N97 PolarHBondContact O-N 3.49Å; C95-N97 VanDerWaalsContact O-N 3.13Å | ||
| 96 | S | 63.1 | Low | 78.5 | Confident | 18 Ų | 18 | 71 Ų | 71 | 13% | 0.126 | 38% | 0.375 | C | S | . | . | trans | -72.6 | 109.8 | -176.1 | -42.7 | 0 | 0 | 0 | 0 | 111.7 | F43 L88 P98 | F43-S96 WeakPolarHBondContact CZ-O 3.4Å; L88-S96 WeakPolarHBondContact O-CB 3.48Å; L88-S96 PolarHBondContact O-OG 3.4Å; S96-P98 VanDerWaalsContact O-CD 3.24Å; S96-P98 WeakPolarHBondContact O-CD 3.32Å | ||
| 97 | N | 76.8 | Confident | 78.7 | Confident | 80 Ų | 80 | 70.1 Ų | 70.1 | 43% | 0.428 | 37% | 0.372 | S | S | . | . | trans | -62.9 | 115.8 | 177 | -178.7 | 0.6 | 0 | 0 | 0 | 110.6 | C95 S99 N100 L101 | C95-N97 PolarHBondContact O-N 3.49Å; C95-N97 VanDerWaalsContact O-N 3.13Å; N97-S99 PolarHBondContact O-N 3.35Å; N97-S99 VanDerWaalsContact O-N 3.16Å; N97-S99 WeakPolarHBondContact OD1-CB 3.45Å; N97-S99 PolarHBondContact OD1-N 3.37Å; N97-S99 VanDerWaalsContact OD1-N 3.09Å; N97-N100 HydrophobicContact CB-CB 4.31Å; N97-N100 PolarHBondContact ND2-OD1 3.34Å; N97-N100 PolarHBondContact O-N 3.1Å; N97-L101 PolarHBondContact O-N 2.88Å | ||
| 98 | P | 79.6 | Confident | 79.1 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 9% | 0.091 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.8 | -28.1 | -178 | -23.7 | 34.7 | 0 | 0 | 0 | 113.2 | F43 V46 S96 L102 L160 | F43-P98 HydrophobicContact CD2-CG 3.57Å; F43-P98 HydrophobicContact CE1-CG 4.33Å; F43-P98 HydrophobicContact CE2-CG 3.15Å; F43-P98 HydrophobicContact CG-CG 4.34Å; F43-P98 VanDerWaalsContact CZ-CD 3.48Å; F43-P98 HydrophobicContact CZ-CG 3.6Å; V46-P98 HydrophobicContact CG1-CB 4.21Å; S96-P98 VanDerWaalsContact O-CD 3.24Å; S96-P98 WeakPolarHBondContact O-CD 3.32Å; P98-L102 WeakPolarHBondContact O-CB 3.2Å; P98-L102 PolarHBondContact O-N 3.29Å; P98-L160 HydrophobicContact CB-CD2 4.11Å |
| 99 | S | 83.3 | Confident | 79.6 | Confident | 35 Ų | 35 | 62.1 Ų | 62.1 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 174.8 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | N97 L102 E103 L160 | N97-S99 PolarHBondContact O-N 3.35Å; N97-S99 VanDerWaalsContact O-N 3.16Å; N97-S99 WeakPolarHBondContact OD1-CB 3.45Å; N97-S99 PolarHBondContact OD1-N 3.37Å; N97-S99 VanDerWaalsContact OD1-N 3.09Å; S99-L102 PolarHBondContact O-N 3.17Å; S99-E103 VanDerWaalsContact O-CB 3.3Å; S99-E103 WeakPolarHBondContact O-CB 3.39Å; S99-E103 PolarHBondContact O-N 3.45Å; S99-L160 PolarHBondContact OG-O 3.31Å |
| 100 | N | 87.2 | Confident | 80.3 | Confident | 77 Ų | 77 | 62.2 Ų | 62.2 | 41% | 0.412 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 179.9 | -65.7 | 7.8 | 0 | 0 | 0 | 111.7 | N97 E103 L104 | N97-N100 HydrophobicContact CB-CB 4.31Å; N97-N100 PolarHBondContact ND2-OD1 3.34Å; N97-N100 PolarHBondContact O-N 3.1Å; N100-E103 PolarHBondContact O-N 3.02Å; N100-L104 WeakPolarHBondContact O-CG 3.44Å; N100-L104 PolarHBondContact O-N 3.38Å |
| 101 | L | 89.3 | Confident | 81.5 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64 | -45.2 | 177.4 | -64.3 | 177.2 | 0 | 0 | 0 | 110.9 | V47 V50 L85 L88 N97 E103 L104 Y105 | V47-L101 HydrophobicContact CB-CD1 4.23Å; V47-L101 HydrophobicContact CG1-CD1 3.85Å; V47-L101 HydrophobicContact CG2-CD1 3.84Å; V50-L101 HydrophobicContact CG1-CB 4.14Å; L85-L101 WeakPolarHBondContact CD1-O 3.27Å; L85-L101 HydrophobicContact CG-CD2 4.38Å; L88-L101 HydrophobicContact CB-CD2 3.53Å; L88-L101 HydrophobicContact CD1-CD2 4.26Å; N97-L101 PolarHBondContact O-N 2.88Å; L101-E103 VanDerWaalsContact C-N 3.35Å; L101-L104 PolarHBondContact O-N 3.16Å; L101-Y105 WeakPolarHBondContact O-CB 3.22Å; L101-Y105 PolarHBondContact O-N 3.48Å |
| 102 | L | 90.2 | Very high | 83.2 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.5 | -36.3 | 179.2 | -174 | 66.1 | 0 | 0 | 0 | 112.1 | V50 P98 S99 Y105 T106 L147 V148 L160 L161 | V50-L102 HydrophobicContact CG2-CD1 4.27Å; P98-L102 WeakPolarHBondContact O-CB 3.2Å; P98-L102 PolarHBondContact O-N 3.29Å; S99-L102 PolarHBondContact O-N 3.17Å; L102-Y105 HydrophobicContact CD1-CD1 4.24Å; L102-Y105 PolarHBondContact O-N 2.73Å; L102-T106 VanDerWaalsContact O-CB 3.29Å; L102-T106 WeakPolarHBondContact O-CB 3.35Å; L102-T106 PolarHBondContact O-N 2.76Å; L102-T106 PolarHBondContact O-OG1 3.02Å; L102-L147 HydrophobicContact CD1-CB 4.19Å; L102-L147 HydrophobicContact CD1-CD1 4.08Å; L102-V148 HydrophobicContact CD2-CG2 3.34Å; L102-L160 HydrophobicContact CD2-CB 4.01Å; L102-L161 HydrophobicContact CD2-CD1 4.13Å; L102-L161 HydrophobicContact CD2-CD2 3.95Å; L102-L161 HydrophobicContact CD2-CG 3.63Å; L102-L161 HydrophobicContact CG-CD1 4.49Å; L102-L161 HydrophobicContact CG-CD2 3.87Å; L102-L161 HydrophobicContact CG-CG 4.08Å |
| 103 | E | 92.1 | Very high | 85.3 | Confident | 102 Ų | 102 | 45 Ų | 45 | 48% | 0.477 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.5 | -48.9 | 172.9 | 174.3 | 173.9 | 179.2 | 0 | 0 | 111.4 | S99 N100 L101 Y105 T106 Q107 L165 | S99-E103 VanDerWaalsContact O-CB 3.3Å; S99-E103 WeakPolarHBondContact O-CB 3.39Å; S99-E103 PolarHBondContact O-N 3.45Å; N100-E103 PolarHBondContact O-N 3.02Å; L101-E103 VanDerWaalsContact C-N 3.35Å; E103-Y105 VanDerWaalsContact C-N 3.34Å; E103-Y105 PolarHBondContact O-N 2.84Å; E103-T106 PolarHBondContact O-N 2.95Å; E103-Q107 WeakPolarHBondContact O-CB 3.4Å; E103-Q107 PolarHBondContact O-N 2.9Å; E103-L165 HydrophobicContact CB-CD1 4.31Å; E103-L165 HydrophobicContact CG-CD1 4.04Å |
| 104 | L | 95 | Very high | 87.4 | Confident | 25 Ų | 25 | 40.1 Ų | 40.1 | 13% | 0.131 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.3 | -44.2 | 177 | -72.6 | 170.4 | 0 | 0 | 0 | 112.1 | A81 K84 L85 L88 N100 L101 Q107 A108 | A81-L104 HydrophobicContact CB-CD2 4.5Å; K84-L104 HydrophobicContact CB-CD1 4.29Å; K84-L104 HydrophobicContact CD-CD1 4.14Å; K84-L104 HydrophobicContact CD-CD2 3.86Å; K84-L104 HydrophobicContact CG-CD1 3.89Å; K84-L104 HydrophobicContact CG-CD2 4.37Å; L85-L104 HydrophobicContact CB-CB 4.14Å; L85-L104 HydrophobicContact CB-CD1 4.26Å; L85-L104 HydrophobicContact CD1-CB 4.39Å; L88-L104 HydrophobicContact CD1-CD1 3.62Å; N100-L104 WeakPolarHBondContact O-CG 3.44Å; N100-L104 PolarHBondContact O-N 3.38Å; L101-L104 PolarHBondContact O-N 3.16Å; L104-Q107 PolarHBondContact O-N 3.39Å; L104-A108 PolarHBondContact O-N 3.25Å |
| 105 | Y | 95.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 175.4 | 173.7 | -105.4 | 0 | 0 | 0 | 111.4 | V50 L53 L82 L101 L102 E103 Q107 A108 I109 E143 P144 L147 | V50-Y105 HydrophobicContact CG1-CG 4.37Å; L53-Y105 HydrophobicContact CB-CE2 3.77Å; L82-Y105 HydrophobicContact CD2-CD2 4.33Å; L101-Y105 WeakPolarHBondContact O-CB 3.22Å; L101-Y105 PolarHBondContact O-N 3.48Å; L102-Y105 HydrophobicContact CD1-CD1 4.24Å; L102-Y105 PolarHBondContact O-N 2.73Å; E103-Y105 VanDerWaalsContact C-N 3.34Å; E103-Y105 PolarHBondContact O-N 2.84Å; Y105-Q107 VanDerWaalsContact C-N 3.32Å; Y105-Q107 PolarHBondContact O-N 3.45Å; Y105-A108 WeakPolarHBondContact O-CB 3.35Å; Y105-A108 PolarHBondContact O-N 3.2Å; Y105-I109 HydrophobicContact CD1-CG1 4.5Å; Y105-I109 HydrophobicContact CD2-CG1 4.46Å; Y105-I109 HydrophobicContact CE1-CG1 3.97Å; Y105-I109 HydrophobicContact CE2-CD1 3.98Å; Y105-I109 HydrophobicContact CE2-CG1 3.93Å; Y105-I109 WeakPolarHBondContact O-CG1 3.36Å; Y105-I109 PolarHBondContact O-N 3.03Å; Y105-E143 HydrophobicContact CE1-CG 4.49Å; Y105-E143 VanDerWaalsContact OH-CD 3.23Å; Y105-E143 VanDerWaalsContact OH-CG 3.24Å; Y105-E143 WeakPolarHBondContact OH-CG 3.39Å; Y105-E143 PolarHBondContact OH-OE1 3.31Å; Y105-P144 HydrophobicContact CD1-CG 4.29Å; Y105-P144 HydrophobicContact CE1-CB 4.45Å; Y105-P144 HydrophobicContact CE1-CG 3.89Å; Y105-L147 HydrophobicContact CD1-CD1 4.03Å; Y105-L147 HydrophobicContact CE1-CD1 3.66Å |
| 106 | T | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 178.7 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | L102 E103 I109 L110 P144 L161 L165 L169 | L102-T106 VanDerWaalsContact O-CB 3.29Å; L102-T106 WeakPolarHBondContact O-CB 3.35Å; L102-T106 PolarHBondContact O-N 2.76Å; L102-T106 PolarHBondContact O-OG1 3.02Å; E103-T106 PolarHBondContact O-N 2.95Å; T106-I109 PolarHBondContact O-N 3.44Å; T106-L110 HydrophobicContact CG2-CD1 4.09Å; T106-L110 HydrophobicContact CG2-CG 4.42Å; T106-L110 WeakPolarHBondContact O-CB 3.48Å; T106-L110 VanDerWaalsContact O-CG 3.3Å; T106-L110 WeakPolarHBondContact O-CG 3.32Å; T106-L110 PolarHBondContact O-N 2.96Å; T106-P144 HydrophobicContact CG2-CB 4.21Å; T106-P144 HydrophobicContact CG2-CG 4.18Å; T106-P144 WeakPolarHBondContact OG1-CB 3.38Å; T106-L161 HydrophobicContact CG2-CD2 4.31Å; T106-L161 WeakPolarHBondContact OG1-CD2 3.31Å; T106-L165 HydrophobicContact CG2-CB 4.49Å; T106-L165 HydrophobicContact CG2-CD1 4.48Å; T106-L165 HydrophobicContact CG2-CD2 4.31Å; T106-L169 HydrophobicContact CG2-CD1 3.94Å; T106-L169 HydrophobicContact CG2-CD2 4.09Å; T106-L169 HydrophobicContact CG2-CG 4.22Å |
| 107 | Q | 96.4 | Very high | 93.3 | Very high | 71 Ų | 71 | 27.3 Ų | 27.3 | 33% | 0.332 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -61.6 | -44.3 | 176.4 | -174.1 | 59.5 | 50.6 | 0 | 0 | 111.3 | E103 L104 Y105 I109 L110 D111 | E103-Q107 WeakPolarHBondContact O-CB 3.4Å; E103-Q107 PolarHBondContact O-N 2.9Å; L104-Q107 PolarHBondContact O-N 3.39Å; Y105-Q107 VanDerWaalsContact C-N 3.32Å; Y105-Q107 PolarHBondContact O-N 3.45Å; Q107-I109 PolarHBondContact O-N 2.78Å; Q107-L110 PolarHBondContact O-N 3.39Å; Q107-D111 PolarHBondContact NE2-OD2 2.93Å; Q107-D111 PolarHBondContact O-N 2.99Å |
| 108 | A | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A78 A81 L82 L104 Y105 D111 M112 | A78-A108 HydrophobicContact CB-CB 4.33Å; A78-A108 WeakPolarHBondContact CB-O 3.21Å; A81-A108 HydrophobicContact CB-CB 4.18Å; L82-A108 HydrophobicContact CD1-CB 4.1Å; L82-A108 HydrophobicContact CD2-CB 3.56Å; L82-A108 HydrophobicContact CG-CB 3.54Å; L104-A108 PolarHBondContact O-N 3.25Å; Y105-A108 WeakPolarHBondContact O-CB 3.35Å; Y105-A108 PolarHBondContact O-N 3.2Å; A108-D111 PolarHBondContact O-N 3.2Å; A108-M112 WeakPolarHBondContact O-CB 3.48Å; A108-M112 PolarHBondContact O-N 2.96Å |
| 109 | I | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.6 | -46.6 | 174.7 | -66 | -56.4 | 0 | 0 | 0 | 110.9 | A57 Y105 T106 Q107 D111 M112 T113 F140 | A57-I109 HydrophobicContact CB-CD1 4.17Å; Y105-I109 HydrophobicContact CD1-CG1 4.5Å; Y105-I109 HydrophobicContact CD2-CG1 4.46Å; Y105-I109 HydrophobicContact CE1-CG1 3.97Å; Y105-I109 HydrophobicContact CE2-CD1 3.98Å; Y105-I109 HydrophobicContact CE2-CG1 3.93Å; Y105-I109 WeakPolarHBondContact O-CG1 3.36Å; Y105-I109 PolarHBondContact O-N 3.03Å; T106-I109 PolarHBondContact O-N 3.44Å; Q107-I109 PolarHBondContact O-N 2.78Å; I109-D111 PolarHBondContact O-N 3.4Å; I109-M112 HydrophobicContact CD1-CE 4.01Å; I109-M112 PolarHBondContact O-N 2.85Å; I109-T113 HydrophobicContact CG2-CG2 4.29Å; I109-T113 WeakPolarHBondContact O-CG2 3.49Å; I109-T113 PolarHBondContact O-N 2.9Å; I109-T113 PolarHBondContact O-OG1 3.32Å; I109-F140 HydrophobicContact CD1-CD1 4.36Å; I109-F140 HydrophobicContact CG2-CB 4.25Å; I109-F140 WeakPolarHBondContact CG2-O 3.49Å |
| 110 | L | 98.2 | Very high | 95.6 | Very high | 11 Ų | 11 | 29.2 Ų | 29.2 | 6% | 0.058 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.6 | -45.7 | -179.8 | -75.3 | 170.1 | 0 | 0 | 0 | 112.6 | T106 Q107 Y114 L141 L165 L169 R172 | T106-L110 HydrophobicContact CG2-CD1 4.09Å; T106-L110 HydrophobicContact CG2-CG 4.42Å; T106-L110 WeakPolarHBondContact O-CB 3.48Å; T106-L110 VanDerWaalsContact O-CG 3.3Å; T106-L110 WeakPolarHBondContact O-CG 3.32Å; T106-L110 PolarHBondContact O-N 2.96Å; Q107-L110 PolarHBondContact O-N 3.39Å; L110-Y114 VanDerWaalsContact O-CB 3.22Å; L110-Y114 WeakPolarHBondContact O-CB 3.35Å; L110-Y114 PolarHBondContact O-N 2.99Å; L110-L141 HydrophobicContact CD2-CD2 4.02Å; L110-L165 HydrophobicContact CD1-CD2 4.18Å; L110-L169 HydrophobicContact CD2-CD2 3.76Å; L110-L169 HydrophobicContact CD2-CG 4.46Å; L110-L169 HydrophobicContact CG-CD2 4.16Å; L110-R172 HydrophobicContact CD2-CG 3.94Å |
| 111 | D | 98.1 | Very high | 96 | Very high | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.043 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.9 | -45.4 | 179.2 | -74.5 | -50.4 | 0 | 0 | 0 | 111.3 | F74 R77 A78 Q107 A108 I109 Y114 F115 | F74-D111 HydrophobicContact CB-CB 4.48Å; R77-D111 WeakPolarHBondContact CD-OD2 3.3Å; R77-D111 WeakPolarHBondContact CG-OD2 3.29Å; R77-D111 IonicContact NH1-OD1 2.93Å; R77-D111 PolarHBondContact NH1-OD1 3.45Å; R77-D111 VanDerWaalsContact NH1-OD1 3.14Å; A78-D111 HydrophobicContact CB-CB 3.94Å; Q107-D111 PolarHBondContact NE2-OD2 2.93Å; Q107-D111 PolarHBondContact O-N 2.99Å; A108-D111 PolarHBondContact O-N 3.2Å; I109-D111 PolarHBondContact O-N 3.4Å; D111-Y114 WeakPolarHBondContact O-CB 3.41Å; D111-Y114 PolarHBondContact O-N 2.84Å; D111-F115 PolarHBondContact O-N 2.93Å |
| 112 | M | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.2 | -49.7 | 177.9 | 178.9 | -167.5 | 76.6 | 0 | 0 | 111.6 | H60 I61 L64 A78 A108 I109 Y114 F115 E116 F140 | H60-M112 HydrophobicContact CB-SD 4.37Å; H60-M112 VanDerWaalsContact CD2-SD 3.58Å; I61-M112 HydrophobicContact CD1-CB 4.34Å; I61-M112 HydrophobicContact CD1-CG 4.43Å; I61-M112 HydrophobicContact CD1-SD 4.27Å; I61-M112 HydrophobicContact CG1-CB 4.09Å; I61-M112 HydrophobicContact CG1-CG 3.74Å; I61-M112 HydrophobicContact CG1-SD 3.76Å; L64-M112 HydrophobicContact CD1-CG 3.98Å; A78-M112 HydrophobicContact CB-CB 4.31Å; A108-M112 WeakPolarHBondContact O-CB 3.48Å; A108-M112 PolarHBondContact O-N 2.96Å; I109-M112 HydrophobicContact CD1-CE 4.01Å; I109-M112 PolarHBondContact O-N 2.85Å; M112-Y114 VanDerWaalsContact C-N 3.28Å; M112-Y114 PolarHBondContact O-N 3.39Å; M112-F115 WeakPolarHBondContact O-CB 3.49Å; M112-F115 PolarHBondContact O-N 2.96Å; M112-E116 PolarHBondContact O-N 2.88Å; M112-F140 HydrophobicContact CE-CB 4.37Å; M112-F140 HydrophobicContact CE-CD1 4.03Å; M112-F140 HydrophobicContact CE-CD2 4.04Å; M112-F140 HydrophobicContact CE-CE1 4.29Å; M112-F140 HydrophobicContact CE-CE2 4.28Å; M112-F140 HydrophobicContact CE-CG 3.91Å; M112-F140 HydrophobicContact CE-CZ 4.41Å |
| 113 | T | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.6 | -27.1 | 178.9 | 75.4 | 0 | 0 | 0 | 0 | 111.8 | I109 F115 E116 E117 L137 F140 L141 R172 | I109-T113 HydrophobicContact CG2-CG2 4.29Å; I109-T113 WeakPolarHBondContact O-CG2 3.49Å; I109-T113 PolarHBondContact O-N 2.9Å; I109-T113 PolarHBondContact O-OG1 3.32Å; T113-F115 VanDerWaalsContact C-N 3.32Å; T113-F115 PolarHBondContact O-N 3.23Å; T113-E116 PolarHBondContact O-N 3.34Å; T113-E117 VanDerWaalsContact CB-OE1 3.26Å; T113-E117 WeakPolarHBondContact CB-OE1 3.41Å; T113-E117 VanDerWaalsContact O-CB 3.27Å; T113-E117 WeakPolarHBondContact O-CB 3.38Å; T113-E117 WeakPolarHBondContact O-CG 3.49Å; T113-E117 PolarHBondContact O-N 3.14Å; T113-E117 PolarHBondContact OG1-OE1 3.35Å; T113-L137 HydrophobicContact CG2-CD2 3.89Å; T113-F140 HydrophobicContact CG2-CB 3.88Å; T113-L141 HydrophobicContact CG2-CD2 4.46Å; T113-L141 HydrophobicContact CG2-CG 4.23Å; T113-L141 WeakPolarHBondContact OG1-CD2 3.09Å; T113-R172 PolarHBondContact OG1-NH2 3.04Å; T113-R172 VanDerWaalsContact OG1-NH2 3.15Å |
| 114 | Y | 97.8 | Very high | 96.6 | Very high | 89 Ų | 89 | 38.2 Ų | 38.2 | 35% | 0.349 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 175.9 | -173.7 | -93.1 | 0 | 0 | 0 | 111.6 | F74 L110 D111 M112 N118 R172 | F74-Y114 AromaticContact CD1-CD1 3.8Å; F74-Y114 HydrophobicContact CD1-CD1 3.8Å; F74-Y114 HydrophobicContact CD1-CE1 4.41Å; F74-Y114 AromaticContact CD2-CD1 3.82Å; F74-Y114 HydrophobicContact CD2-CD1 3.82Å; F74-Y114 HydrophobicContact CD2-CE1 4.2Å; F74-Y114 AromaticContact CE1-CD1 3.46Å; F74-Y114 HydrophobicContact CE1-CD1 3.46Å; F74-Y114 VanDerWaalsContact CE1-CD1 3.46Å; F74-Y114 AromaticContact CE1-CE1 3.64Å; F74-Y114 HydrophobicContact CE1-CE1 3.64Å; F74-Y114 HydrophobicContact CE1-CG 4.38Å; F74-Y114 AromaticContact CE2-CD1 3.44Å; F74-Y114 HydrophobicContact CE2-CD1 3.44Å; F74-Y114 VanDerWaalsContact CE2-CD1 3.44Å; F74-Y114 AromaticContact CE2-CE1 3.36Å; F74-Y114 HydrophobicContact CE2-CE1 3.36Å; F74-Y114 AromaticContact CG-CD1 3.99Å; F74-Y114 HydrophobicContact CG-CD1 3.99Å; F74-Y114 AromaticContact CZ-CD1 3.3Å; F74-Y114 HydrophobicContact CZ-CD1 3.3Å; F74-Y114 AromaticContact CZ-CE1 3.06Å; F74-Y114 HydrophobicContact CZ-CE1 3.06Å; L110-Y114 VanDerWaalsContact O-CB 3.22Å; L110-Y114 WeakPolarHBondContact O-CB 3.35Å; L110-Y114 PolarHBondContact O-N 2.99Å; D111-Y114 WeakPolarHBondContact O-CB 3.41Å; D111-Y114 PolarHBondContact O-N 2.84Å; M112-Y114 VanDerWaalsContact C-N 3.28Å; M112-Y114 PolarHBondContact O-N 3.39Å; Y114-N118 WeakPolarHBondContact CD1-ND2 3.47Å; Y114-N118 WeakPolarHBondContact CE1-ND2 3.49Å; Y114-N118 VanDerWaalsContact O-CG 3.26Å; Y114-N118 PolarHBondContact O-N 3.05Å; Y114-N118 VanDerWaalsContact O-N 3.08Å; Y114-N118 PolarHBondContact O-ND2 2.84Å; Y114-N118 VanDerWaalsContact O-ND2 3.1Å; Y114-R172 VanDerWaalsContact CB-NH2 3.35Å |
| 115 | F | 97.2 | Very high | 96.6 | Very high | 33 Ų | 33 | 37 Ų | 37 | 15% | 0.145 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56 | -52.4 | 172.5 | 172.4 | -96.2 | 0 | 0 | 0 | 111.9 | L64 A68 D72 F74 L75 D111 M112 T113 E117 N118 K119 | L64-F115 HydrophobicContact CB-CE1 4.36Å; L64-F115 HydrophobicContact CD1-CD1 4.37Å; L64-F115 HydrophobicContact CD2-CE1 4.47Å; A68-F115 HydrophobicContact CB-CE1 4.46Å; A68-F115 HydrophobicContact CB-CE2 4.07Å; A68-F115 HydrophobicContact CB-CZ 3.55Å; D72-F115 HydrophobicContact CB-CD2 4.29Å; D72-F115 HydrophobicContact CB-CE2 4.14Å; D72-F115 VanDerWaalsContact CG-CD2 3.42Å; D72-F115 WeakPolarHBondContact OD1-CD2 3.35Å; F74-F115 HydrophobicContact CB-CB 4.28Å; L75-F115 HydrophobicContact CD1-CD1 4.06Å; L75-F115 HydrophobicContact CD1-CD2 4.32Å; L75-F115 HydrophobicContact CD1-CE1 4.01Å; L75-F115 HydrophobicContact CD1-CE2 4.26Å; L75-F115 HydrophobicContact CD1-CG 4.23Å; L75-F115 HydrophobicContact CD1-CZ 4.13Å; L75-F115 HydrophobicContact CD2-CB 3.97Å; L75-F115 HydrophobicContact CD2-CD1 3.84Å; L75-F115 HydrophobicContact CD2-CG 3.87Å; L75-F115 HydrophobicContact CG-CB 4.37Å; L75-F115 HydrophobicContact CG-CD1 4.16Å; L75-F115 HydrophobicContact CG-CD2 4.19Å; L75-F115 HydrophobicContact CG-CG 3.96Å; D111-F115 PolarHBondContact O-N 2.93Å; M112-F115 WeakPolarHBondContact O-CB 3.49Å; M112-F115 PolarHBondContact O-N 2.96Å; T113-F115 VanDerWaalsContact C-N 3.32Å; T113-F115 PolarHBondContact O-N 3.23Å; F115-E117 PolarHBondContact O-N 3.46Å; F115-N118 PolarHBondContact O-N 3.04Å; F115-K119 PolarHBondContact O-N 3.4Å |
| 116 | E | 97.1 | Very high | 96.5 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 8% | 0.075 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.3 | -36 | -176.8 | -61.6 | -151.7 | 86.1 | 0 | 0 | 113.3 | H60 L64 M112 T113 K119 L120 K133 L137 | H60-E116 IonicContact CD2-OE2 3.83Å; H60-E116 IonicContact NE2-OE1 2.56Å; H60-E116 IonicContact NE2-OE2 2.83Å; H60-E116 PolarHBondContact NE2-OE2 3.14Å; L64-E116 HydrophobicContact CD1-CG 3.74Å; L64-E116 HydrophobicContact CD2-CG 4.15Å; L64-E116 WeakPolarHBondContact CD2-OE1 3.49Å; M112-E116 PolarHBondContact O-N 2.88Å; T113-E116 PolarHBondContact O-N 3.34Å; E116-K119 PolarHBondContact O-N 2.81Å; E116-L120 PolarHBondContact O-N 3.49Å; E116-L120 VanDerWaalsContact O-N 3.11Å; E116-K133 WeakPolarHBondContact OE1-CE 3.45Å; E116-K133 IonicContact OE1-NZ 2.65Å; E116-K133 PolarHBondContact OE1-NZ 3Å; E116-K133 IonicContact OE2-NZ 2.64Å; E116-K133 PolarHBondContact OE2-NZ 2.85Å; E116-L137 HydrophobicContact CB-CD1 4.38Å; E116-L137 HydrophobicContact CB-CD2 3.75Å; E116-L137 HydrophobicContact CG-CD2 4.39Å |
| 117 | E | 97.6 | Very high | 96.1 | Very high | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 177.4 | -72.7 | 169.4 | -125.6 | 0 | 0 | 111.7 | T113 F115 K119 L120 V121 L137 R172 L176 | T113-E117 VanDerWaalsContact CB-OE1 3.26Å; T113-E117 WeakPolarHBondContact CB-OE1 3.41Å; T113-E117 VanDerWaalsContact O-CB 3.27Å; T113-E117 WeakPolarHBondContact O-CB 3.38Å; T113-E117 WeakPolarHBondContact O-CG 3.49Å; T113-E117 PolarHBondContact O-N 3.14Å; T113-E117 PolarHBondContact OG1-OE1 3.35Å; F115-E117 PolarHBondContact O-N 3.46Å; E117-K119 VanDerWaalsContact C-N 3.3Å; E117-K119 PolarHBondContact O-N 3.38Å; E117-L120 WeakPolarHBondContact O-CB 3.2Å; E117-L120 PolarHBondContact O-N 3.46Å; E117-V121 WeakPolarHBondContact O-CG2 3.36Å; E117-V121 PolarHBondContact O-N 2.91Å; E117-L137 HydrophobicContact CG-CD1 3.86Å; E117-R172 IonicContact OE1-CZ 2.63Å; E117-R172 IonicContact OE1-NH1 3.09Å; E117-R172 IonicContact OE1-NH2 2.89Å; E117-R172 PolarHBondContact OE1-NH2 3.28Å; E117-R172 IonicContact OE2-CZ 2.95Å; E117-R172 IonicContact OE2-NH1 2.88Å; E117-R172 PolarHBondContact OE2-NH1 3.47Å; E117-R172 IonicContact OE2-NH2 2.95Å; E117-R172 PolarHBondContact OE2-NH2 3.2Å; E117-L176 HydrophobicContact CG-CD1 3.92Å; E117-L176 HydrophobicContact CG-CD2 4.07Å; E117-L176 HydrophobicContact CG-CG 4.44Å |
| 118 | N | 95.8 | Very high | 95.7 | Very high | 55 Ų | 55 | 48.5 Ų | 48.5 | 29% | 0.294 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.1 | -40.9 | 175.5 | -69.7 | -29.7 | 0 | 0 | 0 | 111.4 | Y114 F115 L120 V121 D122 | Y114-N118 WeakPolarHBondContact CD1-ND2 3.47Å; Y114-N118 WeakPolarHBondContact CE1-ND2 3.49Å; Y114-N118 VanDerWaalsContact O-CG 3.26Å; Y114-N118 PolarHBondContact O-N 3.05Å; Y114-N118 VanDerWaalsContact O-N 3.08Å; Y114-N118 PolarHBondContact O-ND2 2.84Å; Y114-N118 VanDerWaalsContact O-ND2 3.1Å; F115-N118 PolarHBondContact O-N 3.04Å; N118-L120 VanDerWaalsContact C-N 3.31Å; N118-L120 PolarHBondContact O-N 2.92Å; N118-V121 WeakPolarHBondContact O-CB 3.29Å; N118-V121 PolarHBondContact O-N 3.49Å; N118-V121 VanDerWaalsContact O-N 3.08Å; N118-D122 WeakPolarHBondContact O-CB 3.34Å; N118-D122 VanDerWaalsContact O-CG 3.29Å; N118-D122 PolarHBondContact O-N 2.94Å |
| 119 | K | 95.1 | Very high | 95.3 | Very high | 105 Ų | 105 | 51.3 Ų | 51.3 | 46% | 0.457 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 175.3 | -174.3 | 176.6 | 177.9 | 176.8 | 0 | 111.9 | F115 E116 E117 V121 D122 E123 | F115-K119 PolarHBondContact O-N 3.4Å; E116-K119 PolarHBondContact O-N 2.81Å; E117-K119 VanDerWaalsContact C-N 3.3Å; E117-K119 PolarHBondContact O-N 3.38Å; K119-V121 VanDerWaalsContact C-N 3.3Å; K119-V121 PolarHBondContact O-N 3.47Å; K119-D122 PolarHBondContact O-N 2.72Å; K119-E123 WeakPolarHBondContact CE-OE1 3.3Å; K119-E123 WeakPolarHBondContact CG-OE1 3.35Å; K119-E123 WeakPolarHBondContact O-CB 3.46Å; K119-E123 VanDerWaalsContact O-CG 3.3Å; K119-E123 WeakPolarHBondContact O-CG 3.31Å; K119-E123 PolarHBondContact O-N 3.49Å |
| 120 | L | 96.6 | Very high | 95.2 | Very high | 9 Ų | 9 | 51.3 Ų | 51.3 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 174.8 | -74.1 | 176.7 | 0 | 0 | 0 | 112.6 | E116 E117 N118 D124 F125 K133 V134 L137 | E116-L120 PolarHBondContact O-N 3.49Å; E116-L120 VanDerWaalsContact O-N 3.11Å; E117-L120 WeakPolarHBondContact O-CB 3.2Å; E117-L120 PolarHBondContact O-N 3.46Å; N118-L120 VanDerWaalsContact C-N 3.31Å; N118-L120 PolarHBondContact O-N 2.92Å; L120-D124 PolarHBondContact O-N 2.92Å; L120-F125 HydrophobicContact CB-CD1 4.01Å; L120-F125 HydrophobicContact CB-CE1 3.81Å; L120-F125 HydrophobicContact CB-CZ 4.2Å; L120-F125 HydrophobicContact CD1-CD1 4.38Å; L120-F125 HydrophobicContact CD1-CE1 4.1Å; L120-F125 PolarHBondContact O-N 3.33Å; L120-K133 HydrophobicContact CD1-CB 4.31Å; L120-K133 HydrophobicContact CD1-CG 3.85Å; L120-K133 HydrophobicContact CD2-CB 4.31Å; L120-K133 HydrophobicContact CD2-CG 4.1Å; L120-K133 HydrophobicContact CG-CG 4.27Å; L120-V134 HydrophobicContact CD1-CG2 4.21Å; L120-L137 HydrophobicContact CD1-CD1 3.65Å |
| 121 | V | 95.3 | Very high | 94.9 | Very high | 56 Ų | 56 | 52.2 Ų | 52.2 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.1 | -45.9 | 177 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | E117 N118 K119 E123 D124 F125 M179 | E117-V121 WeakPolarHBondContact O-CG2 3.36Å; E117-V121 PolarHBondContact O-N 2.91Å; N118-V121 WeakPolarHBondContact O-CB 3.29Å; N118-V121 PolarHBondContact O-N 3.49Å; N118-V121 VanDerWaalsContact O-N 3.08Å; K119-V121 VanDerWaalsContact C-N 3.3Å; K119-V121 PolarHBondContact O-N 3.47Å; V121-E123 VanDerWaalsContact C-N 3.25Å; V121-E123 PolarHBondContact O-N 3.15Å; V121-D124 PolarHBondContact O-N 3.47Å; V121-F125 HydrophobicContact CG2-CE2 3.84Å; V121-F125 HydrophobicContact CG2-CZ 3.96Å; V121-M179 HydrophobicContact CG1-CE 3.89Å; V121-M179 HydrophobicContact CG2-CE 3.98Å |
| 122 | D | 94.8 | Very high | 94.8 | Very high | 138 Ų | 138 | 58 Ų | 58 | 74% | 0.738 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.4 | -34.1 | 179 | -69.8 | -24.2 | 0 | 0 | 0 | 112 | N118 K119 D124 | N118-D122 WeakPolarHBondContact O-CB 3.34Å; N118-D122 VanDerWaalsContact O-CG 3.29Å; N118-D122 PolarHBondContact O-N 2.94Å; K119-D122 PolarHBondContact O-N 2.72Å; D122-D124 VanDerWaalsContact C-N 3.31Å |
| 123 | E | 94.8 | Very high | 94.8 | Very high | 95 Ų | 95 | 59.8 Ų | 59.8 | 44% | 0.444 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 3.7 | 176.5 | -65.6 | 175.8 | -177.1 | 0 | 0 | 113.6 | K119 V121 F125 P126 | K119-E123 WeakPolarHBondContact CE-OE1 3.3Å; K119-E123 WeakPolarHBondContact CG-OE1 3.35Å; K119-E123 WeakPolarHBondContact O-CB 3.46Å; K119-E123 VanDerWaalsContact O-CG 3.3Å; K119-E123 WeakPolarHBondContact O-CG 3.31Å; K119-E123 PolarHBondContact O-N 3.49Å; V121-E123 VanDerWaalsContact C-N 3.25Å; V121-E123 PolarHBondContact O-N 3.15Å; E123-F125 VanDerWaalsContact C-N 3.29Å; E123-F125 PolarHBondContact O-N 2.95Å; E123-P126 HydrophobicContact CB-CG 3.83Å |
| 124 | D | 94.1 | Very high | 94.8 | Very high | 82 Ų | 82 | 59.9 Ų | 59.9 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 44 | -174.4 | -170.1 | 29.5 | 0 | 0 | 0 | 113.7 | L120 V121 D122 S183 R187 | L120-D124 PolarHBondContact O-N 2.92Å; V121-D124 PolarHBondContact O-N 3.47Å; D122-D124 VanDerWaalsContact C-N 3.31Å; D124-S183 PolarHBondContact OD1-OG 3.18Å; D124-R187 PolarHBondContact O-NH2 2.98Å |
| 125 | F | 95.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | trans | 48.7 | 73.1 | 176.9 | -66.5 | -94.2 | 0 | 0 | 0 | 113.6 | L120 V121 E123 E127 S130 V134 L176 M179 Y180 R187 | L120-F125 HydrophobicContact CB-CD1 4.01Å; L120-F125 HydrophobicContact CB-CE1 3.81Å; L120-F125 HydrophobicContact CB-CZ 4.2Å; L120-F125 HydrophobicContact CD1-CD1 4.38Å; L120-F125 HydrophobicContact CD1-CE1 4.1Å; L120-F125 PolarHBondContact O-N 3.33Å; V121-F125 HydrophobicContact CG2-CE2 3.84Å; V121-F125 HydrophobicContact CG2-CZ 3.96Å; E123-F125 VanDerWaalsContact C-N 3.29Å; E123-F125 PolarHBondContact O-N 2.95Å; F125-E127 PolarHBondContact O-N 2.96Å; F125-S130 WeakPolarHBondContact CA-OG 3.32Å; F125-S130 PolarHBondContact O-OG 3.14Å; F125-V134 HydrophobicContact CD1-CG2 4.27Å; F125-V134 HydrophobicContact CE1-CG2 4.13Å; F125-L176 HydrophobicContact CE1-CD1 4Å; F125-L176 HydrophobicContact CZ-CD1 4.25Å; F125-M179 HydrophobicContact CE2-CB 3.76Å; F125-M179 HydrophobicContact CZ-CB 3.66Å; F125-Y180 HydrophobicContact CB-CD2 4.06Å; F125-Y180 HydrophobicContact CB-CE2 4.47Å; F125-Y180 AromaticContact CD1-CD2 3.56Å; F125-Y180 HydrophobicContact CD1-CD2 3.56Å; F125-Y180 HydrophobicContact CD1-CE2 4.45Å; F125-Y180 HydrophobicContact CD1-CG 4.17Å; F125-Y180 HydrophobicContact CE1-CD2 4.26Å; F125-Y180 HydrophobicContact CE1-CG 4.44Å; F125-Y180 AromaticContact CG-CD2 3.98Å; F125-Y180 HydrophobicContact CG-CD2 3.98Å; F125-R187 VanDerWaalsContact O-CZ 3.27Å; F125-R187 PolarHBondContact O-NH1 3.35Å; F125-R187 PolarHBondContact O-NH2 2.63Å | ||
| 126 | P | 93.3 | Very high | 94.7 | Very high | 43 Ų | 43 | 62 Ų | 62 | 28% | 0.279 | 32% | 0.318 | S | S | . | . | trans | -48.9 | 132.9 | 179.8 | -25.8 | 33.7 | 0 | 0 | 0 | 113.1 | E123 D128 S129 S130 | E123-P126 HydrophobicContact CB-CG 3.83Å; P126-D128 VanDerWaalsContact C-N 3.31Å; P126-D128 PolarHBondContact O-N 3.45Å; P126-S129 PolarHBondContact O-N 3.16Å; P126-S130 WeakPolarHBondContact CD-OG 3.3Å; P126-S130 WeakPolarHBondContact O-CB 3.33Å; P126-S130 PolarHBondContact O-N 3.05Å; P126-S130 PolarHBondContact O-OG 3.32Å | ||
| 127 | E | 87.4 | Confident | 94.8 | Very high | 102 Ų | 102 | 61.2 Ų | 61.2 | 48% | 0.477 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -37.2 | -170.1 | -172.3 | 170 | 167.7 | 0 | 0 | 113.6 | F125 | F125-E127 PolarHBondContact O-N 2.96Š|
| 128 | D | 88.1 | Confident | 94.8 | Very high | 167 Ų | 167 | 62 Ų | 62 | 89% | 0.893 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -30 | -171.9 | -61.3 | -30.9 | 0 | 0 | 0 | 113.4 | P126 | P126-D128 VanDerWaalsContact C-N 3.31Å; P126-D128 PolarHBondContact O-N 3.45Å |
| 129 | S | 91.3 | Very high | 94.9 | Very high | 59 Ų | 59 | 62.9 Ų | 62.9 | 41% | 0.413 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -29.2 | -172 | 58.8 | 0 | 0 | 0 | 0 | 114 | P126 S131 Q132 K133 | P126-S129 PolarHBondContact O-N 3.16Å; S129-S131 VanDerWaalsContact C-N 3.33Å; S129-S131 PolarHBondContact O-N 3.08Å; S129-Q132 PolarHBondContact O-N 2.89Å; S129-Q132 VanDerWaalsContact O-N 3.16Å; S129-K133 PolarHBondContact O-N 2.63Å; S129-K133 VanDerWaalsContact O-N 3.09Å |
| 130 | S | 94.7 | Very high | 95 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -35.5 | -167.3 | -65.6 | 0 | 0 | 0 | 0 | 113.8 | F125 P126 Q132 K133 V134 | F125-S130 WeakPolarHBondContact CA-OG 3.32Å; F125-S130 PolarHBondContact O-OG 3.14Å; P126-S130 WeakPolarHBondContact CD-OG 3.3Å; P126-S130 WeakPolarHBondContact O-CB 3.33Å; P126-S130 PolarHBondContact O-N 3.05Å; P126-S130 PolarHBondContact O-OG 3.32Å; S130-Q132 VanDerWaalsContact C-N 3.28Å; S130-Q132 PolarHBondContact O-N 3.43Å; S130-K133 PolarHBondContact O-N 2.94Å; S130-V134 WeakPolarHBondContact O-CB 3.42Å; S130-V134 VanDerWaalsContact O-CG2 3.23Å; S130-V134 WeakPolarHBondContact O-CG2 3.4Å; S130-V134 PolarHBondContact O-N 3.39Å |
| 131 | S | 93.1 | Very high | 95.1 | Very high | 29 Ų | 29 | 59.3 Ų | 59.3 | 20% | 0.203 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63 | -37.2 | -179.4 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | S129 K135 Y180 Y201 | S129-S131 VanDerWaalsContact C-N 3.33Å; S129-S131 PolarHBondContact O-N 3.08Å; S131-K135 VanDerWaalsContact O-CG 3.31Å; S131-K135 WeakPolarHBondContact O-CG 3.27Å; S131-Y180 WeakPolarHBondContact CA-OH 3.49Å; S131-Y180 WeakPolarHBondContact CB-OH 3.35Å; S131-Y201 PolarHBondContact OG-OH 2.99Å |
| 132 | Q | 95.4 | Very high | 95.1 | Very high | 131 Ų | 131 | 57.5 Ų | 57.5 | 61% | 0.612 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -76.8 | -41.6 | 178.3 | -175.4 | 57 | 33.4 | 0 | 0 | 110 | S129 S130 V134 K135 E136 | S129-Q132 PolarHBondContact O-N 2.89Å; S129-Q132 VanDerWaalsContact O-N 3.16Å; S130-Q132 VanDerWaalsContact C-N 3.28Å; S130-Q132 PolarHBondContact O-N 3.43Å; Q132-V134 PolarHBondContact O-N 2.83Å; Q132-K135 WeakPolarHBondContact O-CB 3.46Å; Q132-K135 PolarHBondContact O-N 3.31Å; Q132-E136 PolarHBondContact O-N 3.06Å |
| 133 | K | 97.3 | Very high | 95.1 | Very high | 37 Ų | 37 | 53.1 Ų | 53.1 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -42.2 | -179.5 | -168.3 | 66.5 | -166.4 | 166 | 0 | 112.9 | E116 L120 S129 S130 K135 E136 L137 | E116-K133 WeakPolarHBondContact OE1-CE 3.45Å; E116-K133 IonicContact OE1-NZ 2.65Å; E116-K133 PolarHBondContact OE1-NZ 3Å; E116-K133 IonicContact OE2-NZ 2.64Å; E116-K133 PolarHBondContact OE2-NZ 2.85Å; L120-K133 HydrophobicContact CD1-CB 4.31Å; L120-K133 HydrophobicContact CD1-CG 3.85Å; L120-K133 HydrophobicContact CD2-CB 4.31Å; L120-K133 HydrophobicContact CD2-CG 4.1Å; L120-K133 HydrophobicContact CG-CG 4.27Å; S129-K133 PolarHBondContact O-N 2.63Å; S129-K133 VanDerWaalsContact O-N 3.09Å; S130-K133 PolarHBondContact O-N 2.94Å; K133-K135 VanDerWaalsContact C-N 3.32Å; K133-K135 PolarHBondContact O-N 3.23Å; K133-E136 VanDerWaalsContact CD-OE2 3.3Å; K133-E136 WeakPolarHBondContact CD-OE2 3.22Å; K133-E136 IonicContact NZ-OE1 3.26Å; K133-E136 IonicContact NZ-OE2 3.62Å; K133-E136 PolarHBondContact NZ-OE2 3.4Å; K133-E136 WeakPolarHBondContact O-CB 3.37Å; K133-E136 PolarHBondContact O-N 3.11Å; K133-L137 HydrophobicContact CG-CD1 4.13Å; K133-L137 VanDerWaalsContact O-CG 3.31Å; K133-L137 WeakPolarHBondContact O-CG 3.24Å; K133-L137 PolarHBondContact O-N 3.3Å |
| 134 | V | 97.9 | Very high | 95 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 175 | 169.9 | 0 | 0 | 0 | 0 | 111 | L120 F125 S130 Q132 E136 L137 I138 L176 L177 Y180 | L120-V134 HydrophobicContact CD1-CG2 4.21Å; F125-V134 HydrophobicContact CD1-CG2 4.27Å; F125-V134 HydrophobicContact CE1-CG2 4.13Å; S130-V134 WeakPolarHBondContact O-CB 3.42Å; S130-V134 VanDerWaalsContact O-CG2 3.23Å; S130-V134 WeakPolarHBondContact O-CG2 3.4Å; S130-V134 PolarHBondContact O-N 3.39Å; Q132-V134 PolarHBondContact O-N 2.83Å; V134-E136 PolarHBondContact O-N 3.4Å; V134-L137 PolarHBondContact O-N 2.88Å; V134-I138 HydrophobicContact CG1-CG1 4.28Å; V134-I138 WeakPolarHBondContact O-CB 3.23Å; V134-I138 WeakPolarHBondContact O-CG1 3.3Å; V134-I138 PolarHBondContact O-N 3.42Å; V134-L176 HydrophobicContact CG1-CD2 4.41Å; V134-L176 HydrophobicContact CG1-CG 4.34Å; V134-L176 HydrophobicContact CG2-CD1 4.32Å; V134-L177 HydrophobicContact CG1-CD2 3.95Å; V134-Y180 HydrophobicContact CB-CD1 4.33Å; V134-Y180 HydrophobicContact CG1-CD1 4.05Å; V134-Y180 HydrophobicContact CG2-CD1 4.05Å; V134-Y180 HydrophobicContact CG2-CD2 4.23Å; V134-Y180 HydrophobicContact CG2-CE1 4.48Å; V134-Y180 HydrophobicContact CG2-CG 3.9Å |
| 135 | K | 97 | Very high | 94.8 | Very high | 102 Ų | 102 | 45.4 Ų | 45.4 | 44% | 0.443 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.9 | -42.5 | 176.6 | -73 | 173.2 | -177.5 | 177.3 | 0 | 112.2 | S131 Q132 K133 S139 Y201 | S131-K135 VanDerWaalsContact O-CG 3.31Å; S131-K135 WeakPolarHBondContact O-CG 3.27Å; Q132-K135 WeakPolarHBondContact O-CB 3.46Å; Q132-K135 PolarHBondContact O-N 3.31Å; K133-K135 VanDerWaalsContact C-N 3.32Å; K133-K135 PolarHBondContact O-N 3.23Å; K135-S139 PolarHBondContact O-N 3.28Å; K135-Y201 WeakPolarHBondContact CE-OH 3.4Å |
| 136 | E | 97.5 | Very high | 94.4 | Very high | 65 Ų | 65 | 48.9 Ų | 48.9 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61 | -50 | 176.5 | -176.2 | -172.6 | -165.7 | 0 | 0 | 111.3 | H60 Q132 K133 V134 I138 S139 F140 | H60-E136 IonicContact CE1-OE1 3.21Å; Q132-E136 PolarHBondContact O-N 3.06Å; K133-E136 VanDerWaalsContact CD-OE2 3.3Å; K133-E136 WeakPolarHBondContact CD-OE2 3.22Å; K133-E136 IonicContact NZ-OE1 3.26Å; K133-E136 IonicContact NZ-OE2 3.62Å; K133-E136 PolarHBondContact NZ-OE2 3.4Å; K133-E136 WeakPolarHBondContact O-CB 3.37Å; K133-E136 PolarHBondContact O-N 3.11Å; V134-E136 PolarHBondContact O-N 3.4Å; E136-I138 VanDerWaalsContact C-N 3.35Å; E136-I138 PolarHBondContact O-N 3.11Å; E136-S139 WeakPolarHBondContact O-CA 3.35Å; E136-S139 VanDerWaalsContact O-CB 3.22Å; E136-S139 WeakPolarHBondContact O-CB 3.42Å; E136-S139 PolarHBondContact O-N 3.13Å; E136-F140 HydrophobicContact CG-CD2 4Å; E136-F140 HydrophobicContact CG-CE2 3.6Å; E136-F140 WeakPolarHBondContact O-CD2 3.35Å; E136-F140 PolarHBondContact O-N 2.99Å |
| 137 | L | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.5 | -39.7 | 179.2 | -66.5 | 169.4 | 0 | 0 | 0 | 112.5 | T113 E116 E117 L120 K133 V134 S139 F140 L141 L176 | T113-L137 HydrophobicContact CG2-CD2 3.89Å; E116-L137 HydrophobicContact CB-CD1 4.38Å; E116-L137 HydrophobicContact CB-CD2 3.75Å; E116-L137 HydrophobicContact CG-CD2 4.39Å; E117-L137 HydrophobicContact CG-CD1 3.86Å; L120-L137 HydrophobicContact CD1-CD1 3.65Å; K133-L137 HydrophobicContact CG-CD1 4.13Å; K133-L137 VanDerWaalsContact O-CG 3.31Å; K133-L137 WeakPolarHBondContact O-CG 3.24Å; K133-L137 PolarHBondContact O-N 3.3Å; V134-L137 PolarHBondContact O-N 2.88Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.23Å; L137-F140 PolarHBondContact O-N 3.44Å; L137-L141 WeakPolarHBondContact O-CB 3.42Å; L137-L141 WeakPolarHBondContact O-CG 3.45Å; L137-L141 PolarHBondContact O-N 2.93Å; L137-L176 HydrophobicContact CB-CD2 3.7Å; L137-L176 HydrophobicContact CD1-CD2 4.12Å |
| 138 | I | 98.4 | Very high | 93.8 | Very high | 26 Ų | 26 | 43 Ų | 43 | 13% | 0.133 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.8 | -36 | 173.6 | -67.5 | -72.9 | 0 | 0 | 0 | 111.1 | V134 E136 S142 R173 L176 L177 | V134-I138 HydrophobicContact CG1-CG1 4.28Å; V134-I138 WeakPolarHBondContact O-CB 3.23Å; V134-I138 WeakPolarHBondContact O-CG1 3.3Å; V134-I138 PolarHBondContact O-N 3.42Å; E136-I138 VanDerWaalsContact C-N 3.35Å; E136-I138 PolarHBondContact O-N 3.11Å; I138-S142 WeakPolarHBondContact O-CB 3.44Å; I138-S142 PolarHBondContact O-N 3.39Å; I138-S142 PolarHBondContact O-OG 3.26Å; I138-R173 HydrophobicContact CD1-CB 3.69Å; I138-R173 HydrophobicContact CD1-CG 3.84Å; I138-L176 HydrophobicContact CD1-CD2 4.23Å; I138-L176 HydrophobicContact CG1-CD2 4.27Å; I138-L177 HydrophobicContact CD1-CD1 4.11Å; I138-L177 HydrophobicContact CD1-CG 3.99Å |
| 139 | S | 97.3 | Very high | 93.4 | Very high | 72 Ų | 72 | 41.5 Ų | 41.5 | 50% | 0.503 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.3 | -50.1 | 175 | -167.8 | 0 | 0 | 0 | 0 | 111.1 | K135 E136 L137 L141 S142 E143 | K135-S139 PolarHBondContact O-N 3.28Å; E136-S139 WeakPolarHBondContact O-CA 3.35Å; E136-S139 VanDerWaalsContact O-CB 3.22Å; E136-S139 WeakPolarHBondContact O-CB 3.42Å; E136-S139 PolarHBondContact O-N 3.13Å; L137-S139 VanDerWaalsContact C-N 3.27Å; L137-S139 PolarHBondContact O-N 3.23Å; S139-L141 PolarHBondContact O-N 3.06Å; S139-S142 PolarHBondContact O-N 3.05Å; S139-E143 PolarHBondContact O-N 3.08Å |
| 140 | F | 97.3 | Very high | 92.7 | Very high | 39 Ų | 39 | 44.9 Ų | 44.9 | 17% | 0.171 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.9 | -49.3 | 175.8 | -76.4 | -57.3 | 0 | 0 | 0 | 111.7 | I109 M112 T113 E136 L137 S142 E143 P144 | I109-F140 HydrophobicContact CD1-CD1 4.36Å; I109-F140 HydrophobicContact CG2-CB 4.25Å; I109-F140 WeakPolarHBondContact CG2-O 3.49Å; M112-F140 HydrophobicContact CE-CB 4.37Å; M112-F140 HydrophobicContact CE-CD1 4.03Å; M112-F140 HydrophobicContact CE-CD2 4.04Å; M112-F140 HydrophobicContact CE-CE1 4.29Å; M112-F140 HydrophobicContact CE-CE2 4.28Å; M112-F140 HydrophobicContact CE-CG 3.91Å; M112-F140 HydrophobicContact CE-CZ 4.41Å; T113-F140 HydrophobicContact CG2-CB 3.88Å; E136-F140 HydrophobicContact CG-CD2 4Å; E136-F140 HydrophobicContact CG-CE2 3.6Å; E136-F140 WeakPolarHBondContact O-CD2 3.35Å; E136-F140 PolarHBondContact O-N 2.99Å; L137-F140 PolarHBondContact O-N 3.44Å; F140-S142 PolarHBondContact O-N 3.44Å; F140-S142 VanDerWaalsContact O-N 3.14Å; F140-E143 WeakPolarHBondContact O-CB 3.41Å; F140-E143 PolarHBondContact O-N 2.85Å; F140-E143 VanDerWaalsContact O-N 3.11Å; F140-P144 VanDerWaalsContact O-CD 3.27Å; F140-P144 WeakPolarHBondContact O-CD 3.29Å |
| 141 | L | 98 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -17.8 | 177.8 | -72.5 | 169 | 0 | 0 | 0 | 114.1 | L110 T113 L137 S139 L169 R172 R173 | L110-L141 HydrophobicContact CD2-CD2 4.02Å; T113-L141 HydrophobicContact CG2-CD2 4.46Å; T113-L141 HydrophobicContact CG2-CG 4.23Å; T113-L141 WeakPolarHBondContact OG1-CD2 3.09Å; L137-L141 WeakPolarHBondContact O-CB 3.42Å; L137-L141 WeakPolarHBondContact O-CG 3.45Å; L137-L141 PolarHBondContact O-N 2.93Å; S139-L141 PolarHBondContact O-N 3.06Å; L141-L169 HydrophobicContact CD2-CD2 4.11Å; L141-L169 WeakPolarHBondContact O-CD2 3.35Å; L141-R172 HydrophobicContact CD1-CB 4.09Å; L141-R172 HydrophobicContact CD2-CB 4.05Å; L141-R173 HydrophobicContact CB-CG 3.53Å; L141-R173 HydrophobicContact CD1-CG 3.74Å; L141-R173 HydrophobicContact CG-CG 4.27Å |
| 142 | S | 96 | Very high | 89.7 | Confident | 19 Ų | 19 | 47.6 Ų | 47.6 | 13% | 0.133 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -93.3 | -20.2 | 176.8 | -58 | 0 | 0 | 0 | 0 | 112.6 | I138 S139 F140 E145 I146 | I138-S142 WeakPolarHBondContact O-CB 3.44Å; I138-S142 PolarHBondContact O-N 3.39Å; I138-S142 PolarHBondContact O-OG 3.26Å; S139-S142 PolarHBondContact O-N 3.05Å; F140-S142 PolarHBondContact O-N 3.44Å; F140-S142 VanDerWaalsContact O-N 3.14Å; S142-E145 PolarHBondContact O-N 2.81Å; S142-I146 WeakPolarHBondContact O-CG1 3.43Å; S142-I146 PolarHBondContact O-N 2.85Å; S142-I146 VanDerWaalsContact O-N 3.08Å |
| 143 | E | 94.2 | Very high | 87.4 | Confident | 45 Ų | 45 | 48.8 Ų | 48.8 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.9 | -44.6 | -174.4 | -170.2 | 159.2 | 73.1 | 0 | 0 | 113.1 | L53 Y105 S139 F140 E145 I146 L147 | L53-E143 HydrophobicContact CD1-CG 3.84Å; L53-E143 WeakPolarHBondContact CD2-OE2 3.45Å; Y105-E143 HydrophobicContact CE1-CG 4.49Å; Y105-E143 VanDerWaalsContact OH-CD 3.23Å; Y105-E143 VanDerWaalsContact OH-CG 3.24Å; Y105-E143 WeakPolarHBondContact OH-CG 3.39Å; Y105-E143 PolarHBondContact OH-OE1 3.31Å; S139-E143 PolarHBondContact O-N 3.08Å; F140-E143 WeakPolarHBondContact O-CB 3.41Å; F140-E143 PolarHBondContact O-N 2.85Å; F140-E143 VanDerWaalsContact O-N 3.11Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E143-E145 PolarHBondContact O-N 3.2Å; E143-I146 PolarHBondContact O-N 2.54Å; E143-I146 VanDerWaalsContact O-N 3.16Å; E143-L147 WeakPolarHBondContact O-CG 3.22Å; E143-L147 PolarHBondContact O-N 2.88Å |
| 144 | P | 92.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.2 | -42.1 | 176.1 | -26.6 | 34.5 | 0 | 0 | 0 | 114.3 | Y105 T106 F140 L147 V148 L161 L169 | Y105-P144 HydrophobicContact CD1-CG 4.29Å; Y105-P144 HydrophobicContact CE1-CB 4.45Å; Y105-P144 HydrophobicContact CE1-CG 3.89Å; T106-P144 HydrophobicContact CG2-CB 4.21Å; T106-P144 HydrophobicContact CG2-CG 4.18Å; T106-P144 WeakPolarHBondContact OG1-CB 3.38Å; F140-P144 VanDerWaalsContact O-CD 3.27Å; F140-P144 WeakPolarHBondContact O-CD 3.29Å; P144-L147 PolarHBondContact O-N 3.34Å; P144-V148 PolarHBondContact O-N 3.43Å; P144-L161 HydrophobicContact CB-CD1 3.91Å; P144-L169 HydrophobicContact CB-CD1 4.07Å; P144-L169 HydrophobicContact CG-CD1 4.41Å; P144-L169 HydrophobicContact CG-CD2 4.39Å |
| 145 | E | 90 | Very high | 82.6 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 7% | 0.07 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.6 | -37.4 | 177.6 | -79.7 | -173.7 | -114 | 0 | 0 | 112.8 | S142 E143 L147 V148 K149 L166 L169 R173 | S142-E145 PolarHBondContact O-N 2.81Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E143-E145 PolarHBondContact O-N 3.2Å; E145-L147 VanDerWaalsContact C-N 3.29Å; E145-V148 PolarHBondContact O-N 3.11Å; E145-K149 WeakPolarHBondContact O-CG 3.16Å; E145-K149 PolarHBondContact O-N 3.11Å; E145-K149 IonicContact OE2-NZ 2.81Å; E145-K149 PolarHBondContact OE2-NZ 3.48Å; E145-L166 HydrophobicContact CG-CD2 3.79Å; E145-L169 HydrophobicContact CG-CD1 4.38Å; E145-R173 IonicContact OE1-CZ 3.87Å; E145-R173 IonicContact OE1-NH1 3Å; E145-R173 PolarHBondContact OE1-NH1 3.15Å; E145-R173 IonicContact OE1-NH2 3.14Å; E145-R173 PolarHBondContact OE1-NH2 3.47Å |
| 146 | I | 88.5 | Confident | 80 | Confident | 74 Ų | 74 | 63.5 Ų | 63.5 | 38% | 0.379 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 176.5 | -68.9 | 165.9 | 0 | 0 | 0 | 108.8 | S142 E143 V148 K149 E150 | S142-I146 WeakPolarHBondContact O-CG1 3.43Å; S142-I146 PolarHBondContact O-N 2.85Å; S142-I146 VanDerWaalsContact O-N 3.08Å; E143-I146 PolarHBondContact O-N 2.54Å; E143-I146 VanDerWaalsContact O-N 3.16Å; I146-V148 VanDerWaalsContact C-N 3.34Å; I146-V148 PolarHBondContact O-N 3.17Å; I146-K149 PolarHBondContact O-N 3.06Å; I146-K149 VanDerWaalsContact O-N 3.1Å; I146-E150 HydrophobicContact CG2-CG 4.09Å; I146-E150 VanDerWaalsContact CG2-OE1 3.31Å; I146-E150 WeakPolarHBondContact CG2-OE1 3.38Å; I146-E150 WeakPolarHBondContact O-CB 3.35Å; I146-E150 WeakPolarHBondContact O-CG 3.49Å; I146-E150 PolarHBondContact O-N 3.5Å |
| 147 | L | 85.4 | Confident | 77.6 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 175.4 | -68.6 | 172.3 | 0 | 0 | 0 | 112.8 | R49 V50 L53 L102 Y105 E143 P144 E145 N151 | R49-L147 HydrophobicContact CB-CD2 4.38Å; R49-L147 HydrophobicContact CG-CD2 3.41Å; R49-L147 VanDerWaalsContact CG-CD2 3.41Å; V50-L147 HydrophobicContact CG2-CD1 4.17Å; L53-L147 HydrophobicContact CD1-CD1 3.57Å; L53-L147 HydrophobicContact CD1-CD2 3.6Å; L53-L147 HydrophobicContact CD1-CG 3.94Å; L102-L147 HydrophobicContact CD1-CB 4.19Å; L102-L147 HydrophobicContact CD1-CD1 4.08Å; Y105-L147 HydrophobicContact CD1-CD1 4.03Å; Y105-L147 HydrophobicContact CE1-CD1 3.66Å; E143-L147 WeakPolarHBondContact O-CG 3.22Å; E143-L147 PolarHBondContact O-N 2.88Å; P144-L147 PolarHBondContact O-N 3.34Å; E145-L147 VanDerWaalsContact C-N 3.29Å; L147-N151 PolarHBondContact O-N 2.91Å; L147-N151 PolarHBondContact O-ND2 3.17Å |
| 148 | V | 82.3 | Confident | 75.1 | Confident | 17 Ų | 17 | 70.1 Ų | 70.1 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.8 | -49.6 | 174.1 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | L102 P144 E145 I146 E150 N151 N152 L160 L161 | L102-V148 HydrophobicContact CD2-CG2 3.34Å; P144-V148 PolarHBondContact O-N 3.43Å; E145-V148 PolarHBondContact O-N 3.11Å; I146-V148 VanDerWaalsContact C-N 3.34Å; I146-V148 PolarHBondContact O-N 3.17Å; V148-E150 PolarHBondContact O-N 3.03Å; V148-N151 PolarHBondContact O-N 2.89Å; V148-N152 VanDerWaalsContact CG1-ND2 3.35Å; V148-N152 WeakPolarHBondContact CG1-ND2 3.48Å; V148-N152 PolarHBondContact O-N 3.47Å; V148-N152 PolarHBondContact O-ND2 3.37Å; V148-L160 HydrophobicContact CG2-CB 4.27Å; V148-L161 HydrophobicContact CG2-CB 4.44Å; V148-L161 HydrophobicContact CG2-CD1 3.65Å; V148-L161 HydrophobicContact CG2-CG 3.83Å |
| 149 | K | 80.1 | Confident | 73.4 | Confident | 137 Ų | 137 | 74.3 Ų | 74.3 | 60% | 0.596 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | -175.7 | -71.8 | 166.3 | -171.4 | 155.1 | 0 | 112.3 | E145 I146 N151 | E145-K149 WeakPolarHBondContact O-CG 3.16Å; E145-K149 PolarHBondContact O-N 3.11Å; E145-K149 IonicContact OE2-NZ 2.81Å; E145-K149 PolarHBondContact OE2-NZ 3.48Å; I146-K149 PolarHBondContact O-N 3.06Å; I146-K149 VanDerWaalsContact O-N 3.1Å; K149-N151 VanDerWaalsContact C-N 3.25Å; K149-N151 PolarHBondContact O-N 3.32Å |
| 150 | E | 75.4 | Confident | 72.3 | Confident | 130 Ų | 130 | 72.8 Ų | 72.8 | 61% | 0.607 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66.5 | -25.1 | -178.6 | -72.6 | 178.3 | 168.7 | 0 | 0 | 113.4 | I146 V148 | I146-E150 HydrophobicContact CG2-CG 4.09Å; I146-E150 VanDerWaalsContact CG2-OE1 3.31Å; I146-E150 WeakPolarHBondContact CG2-OE1 3.38Å; I146-E150 WeakPolarHBondContact O-CB 3.35Å; I146-E150 WeakPolarHBondContact O-CG 3.49Å; I146-E150 PolarHBondContact O-N 3.5Å; V148-E150 PolarHBondContact O-N 3.03Å |
| 151 | N | 66.1 | Low | 71.4 | Confident | 34 Ų | 34 | 71.1 Ų | 71.1 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -101.8 | -1.3 | -175.4 | -71 | -75.3 | 0 | 0 | 0 | 114.7 | S45 V46 L147 V148 K149 M153 | S45-N151 PolarHBondContact OG-OD1 3.42Å; V46-N151 HydrophobicContact CG2-CB 3.38Å; V46-N151 WeakPolarHBondContact CG2-OD1 3.24Å; L147-N151 PolarHBondContact O-N 2.91Å; L147-N151 PolarHBondContact O-ND2 3.17Å; V148-N151 PolarHBondContact O-N 2.89Å; K149-N151 VanDerWaalsContact C-N 3.25Å; K149-N151 PolarHBondContact O-N 3.32Å; N151-M153 PolarHBondContact O-N 2.92Å |
| 152 | N | 59.6 | Low | 70.9 | Confident | 52 Ų | 52 | 72.9 Ų | 72.9 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | trans | -84.2 | 98.5 | -178 | -77.4 | -39.5 | 0 | 0 | 0 | 112.9 | V148 H154 C158 | V148-N152 VanDerWaalsContact CG1-ND2 3.35Å; V148-N152 WeakPolarHBondContact CG1-ND2 3.48Å; V148-N152 PolarHBondContact O-N 3.47Å; V148-N152 PolarHBondContact O-ND2 3.37Å; N152-H154 VanDerWaalsContact C-N 3.27Å; N152-H154 PolarHBondContact O-N 2.89Å; N152-C158 PolarHBondContact ND2-SG 3.07Å; N152-C158 PolarHBondContact OD1-SG 3.47Å | ||
| 153 | M | 45.7 | Very low | 70.5 | Confident | 155 Ų | 155 | 75.1 Ų | 75.1 | 76% | 0.764 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -78.8 | 3.6 | 169.3 | -74.5 | -68.3 | -73.5 | 0 | 0 | 114.6 | N151 | N151-M153 PolarHBondContact O-N 2.92Š|
| 154 | H | 44.5 | Very low | 70.4 | Confident | 145 Ų | 145 | 79 Ų | 79 | 67% | 0.671 | 40% | 0.402 | S | S | * | . | trans | -157.1 | 135.7 | 167.9 | -99.9 | -68.1 | 0 | 0 | 0 | 112.5 | N152 K156 C158 | N152-H154 VanDerWaalsContact C-N 3.27Å; N152-H154 PolarHBondContact O-N 2.89Å; H154-K156 PolarHBondContact O-N 3.47Å; H154-C158 PolarHBondContact O-SG 3.22Å | ||
| 155 | P | 51.2 | Low | 70.4 | Confident | 116 Ų | 116 | 80.4 Ų | 80.4 | 75% | 0.753 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -6.2 | -178.6 | -20.6 | 30.9 | 0 | 0 | 0 | 116.4 | ||
| 156 | K | 42.9 | Very low | 70.5 | Confident | 189 Ų | 189 | 81 Ų | 81 | 82% | 0.822 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -4.9 | -167.8 | -74.5 | -172.7 | 175.5 | -178.1 | 0 | 114.5 | H154 | H154-K156 PolarHBondContact O-N 3.47Š|
| 157 | H | 45.3 | Very low | 70.8 | Confident | 161 Ų | 161 | 78 Ų | 78 | 75% | 0.745 | 40% | 0.397 | S | S | * | . | trans | -130.7 | 21.6 | -174.4 | -65.4 | 7.9 | 0 | 0 | 0 | 113.5 | N159 | H157-N159 VanDerWaalsContact C-N 3.31Å; H157-N159 PolarHBondContact O-N 3.31Å | ||
| 158 | C | 47.5 | Very low | 71.4 | Confident | 43 Ų | 43 | 79.9 Ų | 79.9 | 29% | 0.291 | 41% | 0.41 | S | S | . | . | trans | -83.7 | 48.7 | -168.7 | -54.7 | 0 | 0 | 0 | 0 | 115.6 | N152 H154 | N152-C158 PolarHBondContact ND2-SG 3.07Å; N152-C158 PolarHBondContact OD1-SG 3.47Å; H154-C158 PolarHBondContact O-SG 3.22Å | ||
| 159 | N | 61.4 | Low | 72.1 | Confident | 114 Ų | 114 | 79 Ų | 79 | 61% | 0.61 | 41% | 0.405 | S | S | * | . | trans | -113.3 | 42.4 | 170 | -71.5 | 18.6 | 0 | 0 | 0 | 110.9 | H157 L161 | H157-N159 VanDerWaalsContact C-N 3.31Å; H157-N159 PolarHBondContact O-N 3.31Å; N159-L161 PolarHBondContact O-N 3.45Å | ||
| 160 | L | 74.2 | Confident | 72.9 | Confident | 40 Ų | 40 | 72.5 Ų | 72.5 | 21% | 0.209 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -63.4 | -35.3 | 174.9 | -84 | 88.5 | 0 | 0 | 0 | 111.6 | P98 S99 L102 V148 | P98-L160 HydrophobicContact CB-CD2 4.11Å; S99-L160 PolarHBondContact OG-O 3.31Å; L102-L160 HydrophobicContact CD2-CB 4.01Å; V148-L160 HydrophobicContact CG2-CB 4.27Å |
| 161 | L | 79 | Confident | 74 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -97.6 | 120.4 | 164 | -71.6 | 171.2 | 0 | 0 | 0 | 107.2 | L102 T106 P144 V148 N159 L165 L166 L169 | L102-L161 HydrophobicContact CD2-CD1 4.13Å; L102-L161 HydrophobicContact CD2-CD2 3.95Å; L102-L161 HydrophobicContact CD2-CG 3.63Å; L102-L161 HydrophobicContact CG-CD1 4.49Å; L102-L161 HydrophobicContact CG-CD2 3.87Å; L102-L161 HydrophobicContact CG-CG 4.08Å; T106-L161 HydrophobicContact CG2-CD2 4.31Å; T106-L161 WeakPolarHBondContact OG1-CD2 3.31Å; P144-L161 HydrophobicContact CB-CD1 3.91Å; V148-L161 HydrophobicContact CG2-CB 4.44Å; V148-L161 HydrophobicContact CG2-CD1 3.65Å; V148-L161 HydrophobicContact CG2-CG 3.83Å; N159-L161 PolarHBondContact O-N 3.45Å; L161-L165 HydrophobicContact CD2-CB 4.34Å; L161-L165 HydrophobicContact CD2-CD1 3.79Å; L161-L166 HydrophobicContact CB-CD1 4.48Å; L161-L166 HydrophobicContact CB-CD2 3.85Å; L161-L166 HydrophobicContact CB-CG 3.92Å; L161-L166 HydrophobicContact CD1-CD2 4.05Å; L161-L169 HydrophobicContact CD1-CD1 4.36Å |
| 162 | G | 86.8 | Confident | 75.5 | Confident | 37 Ų | 37 | 67.7 Ų | 67.7 | 38% | 0.381 | 35% | 0.351 | S | S | . | . | trans | -63.8 | 158 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | E164 L165 L166 | G162-E164 PolarHBondContact O-N 3.3Å; G162-L165 PolarHBondContact O-N 3.13Å; G162-L165 VanDerWaalsContact O-N 3.07Å; G162-L166 PolarHBondContact O-N 3.01Å | ||
| 163 | D | 89.1 | Confident | 77.4 | Confident | 66 Ų | 66 | 65.5 Ų | 65.5 | 35% | 0.353 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -54 | -32.4 | -177.3 | -63.1 | -21.2 | 0 | 0 | 0 | 112.6 | L166 E167 | D163-L166 PolarHBondContact O-N 3.18Å; D163-E167 WeakPolarHBondContact O-CB 3.2Å; D163-E167 PolarHBondContact O-N 3.24Å |
| 164 | E | 90.5 | Very high | 79.9 | Confident | 128 Ų | 128 | 58.1 Ų | 58.1 | 60% | 0.598 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.2 | -41.6 | 179.9 | -50.8 | -159.4 | 132.2 | 0 | 0 | 112.9 | G162 C168 R216 | G162-E164 PolarHBondContact O-N 3.3Å; E164-C168 WeakPolarHBondContact O-CB 3.48Å; E164-C168 PolarHBondContact O-N 3.33Å; E164-R216 IonicContact OE1-CZ 3.47Å; E164-R216 IonicContact OE1-NH1 2.79Å; E164-R216 PolarHBondContact OE1-NH1 3.05Å; E164-R216 IonicContact OE1-NH2 3.47Å; E164-R216 PolarHBondContact OE1-NH2 3.4Å |
| 165 | L | 93.1 | Very high | 82.5 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 15% | 0.152 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.7 | -39.6 | 177.2 | -71.3 | 175.4 | 0 | 0 | 0 | 110.9 | E103 T106 L110 L161 G162 C168 L169 | E103-L165 HydrophobicContact CB-CD1 4.31Å; E103-L165 HydrophobicContact CG-CD1 4.04Å; T106-L165 HydrophobicContact CG2-CB 4.49Å; T106-L165 HydrophobicContact CG2-CD1 4.48Å; T106-L165 HydrophobicContact CG2-CD2 4.31Å; L110-L165 HydrophobicContact CD1-CD2 4.18Å; L161-L165 HydrophobicContact CD2-CB 4.34Å; L161-L165 HydrophobicContact CD2-CD1 3.79Å; G162-L165 PolarHBondContact O-N 3.13Å; G162-L165 VanDerWaalsContact O-N 3.07Å; L165-C168 WeakPolarHBondContact O-CB 3.4Å; L165-C168 PolarHBondContact O-N 2.97Å; L165-L169 VanDerWaalsContact O-CG 3.29Å; L165-L169 WeakPolarHBondContact O-CG 2.87Å; L165-L169 PolarHBondContact O-N 2.87Å |
| 166 | L | 93 | Very high | 84.7 | Confident | 27 Ų | 27 | 46.6 Ų | 46.6 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64 | -43 | 176.5 | -67.2 | 174.5 | 0 | 0 | 0 | 111.6 | E145 L161 G162 D163 C168 L169 S170 Y215 | E145-L166 HydrophobicContact CG-CD2 3.79Å; L161-L166 HydrophobicContact CB-CD1 4.48Å; L161-L166 HydrophobicContact CB-CD2 3.85Å; L161-L166 HydrophobicContact CB-CG 3.92Å; L161-L166 HydrophobicContact CD1-CD2 4.05Å; G162-L166 PolarHBondContact O-N 3.01Å; D163-L166 PolarHBondContact O-N 3.18Å; L166-C168 VanDerWaalsContact C-N 3.34Å; L166-L169 PolarHBondContact O-N 2.76Å; L166-S170 PolarHBondContact O-N 3.26Å; L166-Y215 VanDerWaalsContact C-CE2 3.43Å; L166-Y215 HydrophobicContact CB-CD1 3.68Å; L166-Y215 HydrophobicContact CB-CD2 4.26Å; L166-Y215 HydrophobicContact CB-CE1 3.43Å; L166-Y215 VanDerWaalsContact CB-CE1 3.43Å; L166-Y215 HydrophobicContact CB-CE2 4Å; L166-Y215 HydrophobicContact CB-CG 4.1Å; L166-Y215 HydrophobicContact CD1-CD1 4.1Å; L166-Y215 HydrophobicContact CD1-CE1 3.83Å; L166-Y215 HydrophobicContact CG-CE1 4.16Å; L166-Y215 VanDerWaalsContact O-CE2 3.22Å; L166-Y215 WeakPolarHBondContact O-CE2 3.48Å |
| 167 | E | 94.8 | Very high | 87.4 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58 | -46.9 | 171.6 | -176.8 | -169.7 | 152.5 | 0 | 0 | 111.1 | D163 S170 W171 M212 Y215 R216 H245 | D163-E167 WeakPolarHBondContact O-CB 3.2Å; D163-E167 PolarHBondContact O-N 3.24Å; E167-S170 PolarHBondContact O-N 2.91Å; E167-W171 WeakPolarHBondContact O-CB 3.28Å; E167-W171 PolarHBondContact O-N 2.95Å; E167-M212 HydrophobicContact CG-CE 4.01Å; E167-M212 HydrophobicContact CG-CG 3.74Å; E167-M212 HydrophobicContact CG-SD 4.27Å; E167-M212 WeakPolarHBondContact O-CG 3.3Å; E167-Y215 VanDerWaalsContact CA-CD2 3.46Å; E167-Y215 HydrophobicContact CB-CD2 4.03Å; E167-Y215 HydrophobicContact CB-CG 4.45Å; E167-R216 IonicContact OE2-CZ 3.23Å; E167-R216 VanDerWaalsContact OE2-CZ 3.23Å; E167-R216 IonicContact OE2-NE 2.65Å; E167-R216 PolarHBondContact OE2-NE 3.1Å; E167-R216 IonicContact OE2-NH2 2.94Å; E167-R216 PolarHBondContact OE2-NH2 2.67Å; E167-H245 IonicContact OE1-CE1 3.6Å; E167-H245 PolarHBondContact OE1-CE1 3.18Å; E167-H245 IonicContact OE1-ND1 2.99Å; E167-H245 IonicContact OE1-NE2 2.78Å |
| 168 | C | 96.5 | Very high | 89.9 | Confident | 43 Ų | 43 | 30.9 Ų | 30.9 | 29% | 0.291 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.3 | -47.8 | 178 | -169.9 | 0 | 0 | 0 | 0 | 111.8 | E164 L165 L166 S170 W171 R172 | E164-C168 WeakPolarHBondContact O-CB 3.48Å; E164-C168 PolarHBondContact O-N 3.33Å; L165-C168 WeakPolarHBondContact O-CB 3.4Å; L165-C168 PolarHBondContact O-N 2.97Å; L166-C168 VanDerWaalsContact C-N 3.34Å; C168-S170 VanDerWaalsContact C-N 3.35Å; C168-S170 PolarHBondContact O-N 3.27Å; C168-W171 WeakPolarHBondContact O-CB 3.36Å; C168-W171 PolarHBondContact O-N 3.24Å; C168-R172 WeakPolarHBondContact O-CB 3.37Å; C168-R172 WeakPolarHBondContact O-CG 3.45Å; C168-R172 PolarHBondContact O-N 3.32Å |
| 169 | L | 97.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 178.4 | -69.5 | 167.2 | 0 | 0 | 0 | 111.9 | T106 L110 L141 P144 E145 L161 L165 L166 R173 | T106-L169 HydrophobicContact CG2-CD1 3.94Å; T106-L169 HydrophobicContact CG2-CD2 4.09Å; T106-L169 HydrophobicContact CG2-CG 4.22Å; L110-L169 HydrophobicContact CD2-CD2 3.76Å; L110-L169 HydrophobicContact CD2-CG 4.46Å; L110-L169 HydrophobicContact CG-CD2 4.16Å; L141-L169 HydrophobicContact CD2-CD2 4.11Å; L141-L169 WeakPolarHBondContact O-CD2 3.35Å; P144-L169 HydrophobicContact CB-CD1 4.07Å; P144-L169 HydrophobicContact CG-CD1 4.41Å; P144-L169 HydrophobicContact CG-CD2 4.39Å; E145-L169 HydrophobicContact CG-CD1 4.38Å; L161-L169 HydrophobicContact CD1-CD1 4.36Å; L165-L169 VanDerWaalsContact O-CG 3.29Å; L165-L169 WeakPolarHBondContact O-CG 2.87Å; L165-L169 PolarHBondContact O-N 2.87Å; L166-L169 PolarHBondContact O-N 2.76Å; L169-R173 WeakPolarHBondContact O-CG 3.27Å; L169-R173 PolarHBondContact O-N 3.18Å; L169-R173 VanDerWaalsContact O-N 3.15Å; L169-R173 PolarHBondContact O-NE 3.27Å |
| 170 | S | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.2 | -41.7 | 174.1 | -77 | 0 | 0 | 0 | 0 | 112.8 | L166 E167 C168 R173 G174 Y208 Y215 | L166-S170 PolarHBondContact O-N 3.26Å; E167-S170 PolarHBondContact O-N 2.91Å; C168-S170 VanDerWaalsContact C-N 3.35Å; C168-S170 PolarHBondContact O-N 3.27Å; S170-R173 VanDerWaalsContact CA-NH2 3.33Å; S170-R173 PolarHBondContact OG-NH2 2.94Å; S170-G174 PolarHBondContact O-N 3.44Å; S170-Y208 WeakPolarHBondContact CB-O 3.4Å; S170-Y208 WeakPolarHBondContact O-CB 3.41Å; S170-Y215 VanDerWaalsContact OG-CE2 3.3Å; S170-Y215 WeakPolarHBondContact OG-CE2 3.36Å; S170-Y215 PolarHBondContact OG-OH 3.45Å |
| 171 | W | 98.1 | Very high | 95.1 | Very high | 36 Ų | 36 | 24.2 Ų | 24.2 | 14% | 0.136 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.3 | -52.9 | 173.1 | 169.5 | -117.2 | 0 | 0 | 0 | 111.2 | E167 C168 R173 G174 A175 L209 M212 I244 L247 A248 Y251 | E167-W171 WeakPolarHBondContact O-CB 3.28Å; E167-W171 PolarHBondContact O-N 2.95Å; C168-W171 WeakPolarHBondContact O-CB 3.36Å; C168-W171 PolarHBondContact O-N 3.24Å; W171-R173 PolarHBondContact O-N 2.76Å; W171-G174 PolarHBondContact O-N 2.94Å; W171-A175 HydrophobicContact CD2-CB 4.3Å; W171-A175 HydrophobicContact CH2-CB 4.23Å; W171-A175 HydrophobicContact CZ2-CB 3.99Å; W171-A175 HydrophobicContact CZ3-CB 4.49Å; W171-A175 VanDerWaalsContact O-CB 3.29Å; W171-A175 WeakPolarHBondContact O-CB 3.44Å; W171-A175 PolarHBondContact O-N 3.31Å; W171-L209 HydrophobicContact CE3-CD2 3.69Å; W171-L209 HydrophobicContact CZ3-CD2 3.78Å; W171-M212 HydrophobicContact CB-CE 4.31Å; W171-M212 HydrophobicContact CB-CG 3.81Å; W171-M212 HydrophobicContact CE3-CE 4.35Å; W171-I244 HydrophobicContact CD2-CG2 3.26Å; W171-I244 HydrophobicContact CE3-CG2 3.59Å; W171-I244 HydrophobicContact CG-CG2 3.68Å; W171-I244 HydrophobicContact CH2-CG2 4.08Å; W171-I244 HydrophobicContact CZ2-CG2 3.78Å; W171-I244 HydrophobicContact CZ3-CG2 3.99Å; W171-L247 HydrophobicContact CH2-CB 3.6Å; W171-L247 HydrophobicContact CH2-CD1 4.35Å; W171-L247 HydrophobicContact CZ2-CB 4.43Å; W171-L247 HydrophobicContact CZ2-CD1 4.41Å; W171-L247 HydrophobicContact CZ3-CB 4.22Å; W171-A248 HydrophobicContact CE3-CB 4.01Å; W171-A248 HydrophobicContact CZ3-CB 3.75Å; W171-Y251 AromaticContact CH2-CD2 3.81Å; W171-Y251 HydrophobicContact CH2-CD2 3.81Å; W171-Y251 AromaticContact CH2-CE2 3.65Å; W171-Y251 HydrophobicContact CH2-CE2 3.65Å; W171-Y251 HydrophobicContact CZ2-CE2 4.36Å; W171-Y251 HydrophobicContact CZ3-CD2 4.11Å; W171-Y251 HydrophobicContact CZ3-CE2 4.41Å |
| 172 | R | 98.3 | Very high | 95.8 | Very high | 26 Ų | 26 | 26.6 Ų | 26.6 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | -173.6 | -63.2 | -80.8 | -73.6 | 116.9 | 21.7 | 111.3 | L110 T113 Y114 E117 L141 C168 L176 | L110-R172 HydrophobicContact CD2-CG 3.94Å; T113-R172 PolarHBondContact OG1-NH2 3.04Å; T113-R172 VanDerWaalsContact OG1-NH2 3.15Å; Y114-R172 VanDerWaalsContact CB-NH2 3.35Å; E117-R172 IonicContact OE1-CZ 2.63Å; E117-R172 IonicContact OE1-NH1 3.09Å; E117-R172 IonicContact OE1-NH2 2.89Å; E117-R172 PolarHBondContact OE1-NH2 3.28Å; E117-R172 IonicContact OE2-CZ 2.95Å; E117-R172 IonicContact OE2-NH1 2.88Å; E117-R172 PolarHBondContact OE2-NH1 3.47Å; E117-R172 IonicContact OE2-NH2 2.95Å; E117-R172 PolarHBondContact OE2-NH2 3.2Å; L141-R172 HydrophobicContact CD1-CB 4.09Å; L141-R172 HydrophobicContact CD2-CB 4.05Å; C168-R172 WeakPolarHBondContact O-CB 3.37Å; C168-R172 WeakPolarHBondContact O-CG 3.45Å; C168-R172 PolarHBondContact O-N 3.32Å; R172-L176 WeakPolarHBondContact O-CB 3.23Å; R172-L176 PolarHBondContact O-N 3.21Å |
| 173 | R | 98.6 | Very high | 96.1 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 2% | 0.023 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 174.4 | -67.4 | 173.3 | -66.1 | 179.3 | -2.3 | 112.5 | I138 L141 E145 L169 S170 W171 L177 Y208 | I138-R173 HydrophobicContact CD1-CB 3.69Å; I138-R173 HydrophobicContact CD1-CG 3.84Å; L141-R173 HydrophobicContact CB-CG 3.53Å; L141-R173 HydrophobicContact CD1-CG 3.74Å; L141-R173 HydrophobicContact CG-CG 4.27Å; E145-R173 IonicContact OE1-CZ 3.87Å; E145-R173 IonicContact OE1-NH1 3Å; E145-R173 PolarHBondContact OE1-NH1 3.15Å; E145-R173 IonicContact OE1-NH2 3.14Å; E145-R173 PolarHBondContact OE1-NH2 3.47Å; L169-R173 WeakPolarHBondContact O-CG 3.27Å; L169-R173 PolarHBondContact O-N 3.18Å; L169-R173 VanDerWaalsContact O-N 3.15Å; L169-R173 PolarHBondContact O-NE 3.27Å; S170-R173 VanDerWaalsContact CA-NH2 3.33Å; S170-R173 PolarHBondContact OG-NH2 2.94Å; W171-R173 PolarHBondContact O-N 2.76Å; R173-L177 WeakPolarHBondContact O-CG 3.35Å; R173-L177 PolarHBondContact O-N 3.4Å; R173-L177 VanDerWaalsContact O-N 3.11Å; R173-Y208 HydrophobicContact CB-CD1 4.28Å; R173-Y208 HydrophobicContact CB-CD2 3.58Å; R173-Y208 HydrophobicContact CB-CE2 3.88Å; R173-Y208 HydrophobicContact CB-CG 3.8Å; R173-Y208 VanDerWaalsContact CZ-CD1 3.45Å |
| 174 | G | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.3 | -45.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S170 W171 L177 Y178 | S170-G174 PolarHBondContact O-N 3.44Å; W171-G174 PolarHBondContact O-N 2.94Å; G174-L177 PolarHBondContact O-N 2.87Å; G174-Y178 WeakPolarHBondContact O-CB 3.43Å; G174-Y178 PolarHBondContact O-N 2.97Å |
| 175 | A | 98.5 | Very high | 96.1 | Very high | 14 Ų | 14 | 16.9 Ų | 16.9 | 12% | 0.116 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65.5 | -42.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W171 L177 Y178 M179 Y251 | W171-A175 HydrophobicContact CD2-CB 4.3Å; W171-A175 HydrophobicContact CH2-CB 4.23Å; W171-A175 HydrophobicContact CZ2-CB 3.99Å; W171-A175 HydrophobicContact CZ3-CB 4.49Å; W171-A175 VanDerWaalsContact O-CB 3.29Å; W171-A175 WeakPolarHBondContact O-CB 3.44Å; W171-A175 PolarHBondContact O-N 3.31Å; A175-L177 PolarHBondContact O-N 3.3Å; A175-Y178 WeakPolarHBondContact O-CB 3.45Å; A175-Y178 PolarHBondContact O-N 2.95Å; A175-M179 WeakPolarHBondContact O-CG 3.45Å; A175-M179 PolarHBondContact O-N 3.07Å; A175-Y251 HydrophobicContact CB-CE2 4.44Å |
| 176 | L | 98.6 | Very high | 95.9 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 3% | 0.026 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.8 | -47.1 | 174.9 | 176.8 | 56.2 | 0 | 0 | 0 | 111.5 | E117 F125 V134 L137 I138 R172 Y178 M179 Y180 | E117-L176 HydrophobicContact CG-CD1 3.92Å; E117-L176 HydrophobicContact CG-CD2 4.07Å; E117-L176 HydrophobicContact CG-CG 4.44Å; F125-L176 HydrophobicContact CE1-CD1 4Å; F125-L176 HydrophobicContact CZ-CD1 4.25Å; V134-L176 HydrophobicContact CG1-CD2 4.41Å; V134-L176 HydrophobicContact CG1-CG 4.34Å; V134-L176 HydrophobicContact CG2-CD1 4.32Å; L137-L176 HydrophobicContact CB-CD2 3.7Å; L137-L176 HydrophobicContact CD1-CD2 4.12Å; I138-L176 HydrophobicContact CD1-CD2 4.23Å; I138-L176 HydrophobicContact CG1-CD2 4.27Å; R172-L176 WeakPolarHBondContact O-CB 3.23Å; R172-L176 PolarHBondContact O-N 3.21Å; L176-Y178 VanDerWaalsContact C-N 3.35Å; L176-M179 PolarHBondContact O-N 3.14Å; L176-Y180 WeakPolarHBondContact O-CB 3.47Å; L176-Y180 PolarHBondContact O-N 2.99Å |
| 177 | L | 98.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.7 | -36.2 | 177.1 | -73.6 | 172.3 | 0 | 0 | 0 | 112.4 | V134 I138 R173 G174 A175 C181 Y201 D204 Y208 M255 | V134-L177 HydrophobicContact CG1-CD2 3.95Å; I138-L177 HydrophobicContact CD1-CD1 4.11Å; I138-L177 HydrophobicContact CD1-CG 3.99Å; R173-L177 WeakPolarHBondContact O-CG 3.35Å; R173-L177 PolarHBondContact O-N 3.4Å; R173-L177 VanDerWaalsContact O-N 3.11Å; G174-L177 PolarHBondContact O-N 2.87Å; A175-L177 PolarHBondContact O-N 3.3Å; L177-C181 VanDerWaalsContact O-CB 3.23Å; L177-C181 WeakPolarHBondContact O-CB 3.49Å; L177-C181 PolarHBondContact O-N 3.45Å; L177-C181 PolarHBondContact O-SG 3.39Å; L177-Y201 HydrophobicContact CD2-CD1 3.95Å; L177-Y201 HydrophobicContact CD2-CG 4.32Å; L177-D204 HydrophobicContact CD1-CB 3.8Å; L177-Y208 HydrophobicContact CD1-CD2 3.95Å; L177-Y208 HydrophobicContact CD1-CE2 4.01Å; L177-M255 HydrophobicContact CB-CE 4.29Å |
| 178 | Y | 98.6 | Very high | 94.9 | Very high | 16 Ų | 16 | 32.3 Ų | 32.3 | 6% | 0.063 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.6 | -53.3 | 172.4 | 169.2 | -94.3 | 0 | 0 | 0 | 110.9 | G174 A175 L176 Y180 C181 H182 Y251 E254 M255 W258 | G174-Y178 WeakPolarHBondContact O-CB 3.43Å; G174-Y178 PolarHBondContact O-N 2.97Å; A175-Y178 WeakPolarHBondContact O-CB 3.45Å; A175-Y178 PolarHBondContact O-N 2.95Å; L176-Y178 VanDerWaalsContact C-N 3.35Å; Y178-Y180 VanDerWaalsContact C-N 3.33Å; Y178-Y180 PolarHBondContact O-N 2.72Å; Y178-C181 PolarHBondContact O-N 2.89Å; Y178-H182 VanDerWaalsContact O-CB 3.28Å; Y178-H182 WeakPolarHBondContact O-CB 3.29Å; Y178-H182 PolarHBondContact O-N 3.3Å; Y178-Y251 AromaticContact CD1-CD1 3.86Å; Y178-Y251 HydrophobicContact CD1-CD1 3.86Å; Y178-Y251 AromaticContact CD1-CD2 3.54Å; Y178-Y251 HydrophobicContact CD1-CD2 3.54Å; Y178-Y251 AromaticContact CD1-CE1 3.87Å; Y178-Y251 HydrophobicContact CD1-CE1 3.87Å; Y178-Y251 AromaticContact CD1-CE2 3.53Å; Y178-Y251 HydrophobicContact CD1-CE2 3.53Å; Y178-Y251 AromaticContact CD1-CG 3.71Å; Y178-Y251 HydrophobicContact CD1-CG 3.71Å; Y178-Y251 AromaticContact CD1-CZ 3.69Å; Y178-Y251 AromaticContact CD2-CD1 3.94Å; Y178-Y251 HydrophobicContact CD2-CD1 3.94Å; Y178-Y251 HydrophobicContact CD2-CD2 4.14Å; Y178-Y251 AromaticContact CD2-CG 3.62Å; Y178-Y251 HydrophobicContact CD2-CG 3.62Å; Y178-Y251 AromaticContact CE1-CD1 3.57Å; Y178-Y251 HydrophobicContact CE1-CD1 3.57Å; Y178-Y251 HydrophobicContact CE1-CD2 4.1Å; Y178-Y251 AromaticContact CE1-CE1 3.37Å; Y178-Y251 HydrophobicContact CE1-CE1 3.37Å; Y178-Y251 AromaticContact CE1-CE2 3.91Å; Y178-Y251 HydrophobicContact CE1-CE2 3.91Å; Y178-Y251 AromaticContact CE1-CG 3.93Å; Y178-Y251 HydrophobicContact CE1-CG 3.93Å; Y178-Y251 AromaticContact CE1-CZ 3.55Å; Y178-Y251 AromaticContact CE2-CD1 3.65Å; Y178-Y251 HydrophobicContact CE2-CD1 3.65Å; Y178-Y251 HydrophobicContact CE2-CE1 4.29Å; Y178-Y251 AromaticContact CE2-CG 3.85Å; Y178-Y251 HydrophobicContact CE2-CG 3.85Å; Y178-Y251 HydrophobicContact CG-CD1 4.05Å; Y178-Y251 AromaticContact CG-CD2 3.58Å; Y178-Y251 HydrophobicContact CG-CD2 3.58Å; Y178-Y251 HydrophobicContact CG-CE2 4.07Å; Y178-Y251 AromaticContact CG-CG 3.56Å; Y178-Y251 HydrophobicContact CG-CG 3.56Å; Y178-Y251 AromaticContact CZ-CD1 3.46Å; Y178-Y251 VanDerWaalsContact CZ-CD1 3.46Å; Y178-Y251 AromaticContact CZ-CE1 3.63Å; Y178-E254 HydrophobicContact CE2-CB 3.98Å; Y178-E254 PolarHBondContact OH-OE2 2.94Å; Y178-E254 VanDerWaalsContact OH-OE2 3.09Å; Y178-M255 HydrophobicContact CD2-CG 3.87Å; Y178-M255 HydrophobicContact CD2-SD 4.11Å; Y178-M255 HydrophobicContact CG-SD 4.49Å; Y178-W258 AromaticContact CD2-CH2 3.96Å; Y178-W258 HydrophobicContact CD2-CH2 3.96Å; Y178-W258 AromaticContact CD2-CZ3 3.91Å; Y178-W258 HydrophobicContact CD2-CZ3 3.91Å; Y178-W258 AromaticContact CE2-CH2 3.42Å; Y178-W258 HydrophobicContact CE2-CH2 3.42Å; Y178-W258 VanDerWaalsContact CE2-CH2 3.42Å; Y178-W258 HydrophobicContact CE2-CZ2 4.41Å; Y178-W258 AromaticContact CE2-CZ3 3.85Å; Y178-W258 HydrophobicContact CE2-CZ3 3.85Å; Y178-W258 AromaticContact CZ-CH2 3.96Å |
| 179 | M | 97.9 | Very high | 94.2 | Very high | 55 Ų | 55 | 37 Ų | 37 | 27% | 0.271 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61 | -43.6 | -178.8 | -68.4 | -60.4 | -71.9 | 0 | 0 | 111.4 | V121 F125 A175 L176 H182 S183 | V121-M179 HydrophobicContact CG1-CE 3.89Å; V121-M179 HydrophobicContact CG2-CE 3.98Å; F125-M179 HydrophobicContact CE2-CB 3.76Å; F125-M179 HydrophobicContact CZ-CB 3.66Å; A175-M179 WeakPolarHBondContact O-CG 3.45Å; A175-M179 PolarHBondContact O-N 3.07Å; L176-M179 PolarHBondContact O-N 3.14Å; M179-H182 WeakPolarHBondContact O-CB 3.32Å; M179-H182 PolarHBondContact O-N 2.96Å; M179-S183 PolarHBondContact O-N 3.07Å |
| 180 | Y | 97.1 | Very high | 93.5 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.8 | -48.9 | 176.9 | -177.6 | -135.2 | 0 | 0 | 0 | 112 | F125 S131 V134 L176 Y178 H182 S183 L184 Y201 | F125-Y180 HydrophobicContact CB-CD2 4.06Å; F125-Y180 HydrophobicContact CB-CE2 4.47Å; F125-Y180 AromaticContact CD1-CD2 3.56Å; F125-Y180 HydrophobicContact CD1-CD2 3.56Å; F125-Y180 HydrophobicContact CD1-CE2 4.45Å; F125-Y180 HydrophobicContact CD1-CG 4.17Å; F125-Y180 HydrophobicContact CE1-CD2 4.26Å; F125-Y180 HydrophobicContact CE1-CG 4.44Å; F125-Y180 AromaticContact CG-CD2 3.98Å; F125-Y180 HydrophobicContact CG-CD2 3.98Å; S131-Y180 WeakPolarHBondContact CA-OH 3.49Å; S131-Y180 WeakPolarHBondContact CB-OH 3.35Å; V134-Y180 HydrophobicContact CB-CD1 4.33Å; V134-Y180 HydrophobicContact CG1-CD1 4.05Å; V134-Y180 HydrophobicContact CG2-CD1 4.05Å; V134-Y180 HydrophobicContact CG2-CD2 4.23Å; V134-Y180 HydrophobicContact CG2-CE1 4.48Å; V134-Y180 HydrophobicContact CG2-CG 3.9Å; L176-Y180 WeakPolarHBondContact O-CB 3.47Å; L176-Y180 PolarHBondContact O-N 2.99Å; Y178-Y180 VanDerWaalsContact C-N 3.33Å; Y178-Y180 PolarHBondContact O-N 2.72Å; Y180-H182 VanDerWaalsContact C-N 3.26Å; Y180-H182 PolarHBondContact O-N 3.48Å; Y180-S183 PolarHBondContact O-N 3.33Å; Y180-L184 HydrophobicContact CD1-CD1 4.05Å; Y180-L184 HydrophobicContact CD2-CD1 4.33Å; Y180-L184 HydrophobicContact CD2-CG 4.22Å; Y180-L184 HydrophobicContact CE1-CD1 3.73Å; Y180-L184 HydrophobicContact CE2-CD1 4.01Å; Y180-L184 HydrophobicContact CE2-CD2 3.95Å; Y180-L184 HydrophobicContact CE2-CG 3.93Å; Y180-L184 HydrophobicContact CG-CD1 4.34Å; Y180-L184 VanDerWaalsContact O-CG 3.3Å; Y180-L184 WeakPolarHBondContact O-CG 3.42Å; Y180-L184 PolarHBondContact O-N 3.3Å; Y180-Y201 HydrophobicContact CD1-CD2 4.22Å; Y180-Y201 HydrophobicContact CD1-CE2 4.27Å; Y180-Y201 AromaticContact CE1-CD2 3.86Å; Y180-Y201 HydrophobicContact CE1-CD2 3.86Å; Y180-Y201 AromaticContact CE1-CE2 3.5Å; Y180-Y201 HydrophobicContact CE1-CE2 3.5Å; Y180-Y201 VanDerWaalsContact CE1-CE2 3.5Å; Y180-Y201 AromaticContact CE1-CZ 3.99Å |
| 181 | C | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.9 | -38.9 | 176.3 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | L177 Y178 L184 T185 L198 L202 W258 | L177-C181 VanDerWaalsContact O-CB 3.23Å; L177-C181 WeakPolarHBondContact O-CB 3.49Å; L177-C181 PolarHBondContact O-N 3.45Å; L177-C181 PolarHBondContact O-SG 3.39Å; Y178-C181 PolarHBondContact O-N 2.89Å; C181-L184 PolarHBondContact O-N 3.37Å; C181-T185 WeakPolarHBondContact O-CG2 3.44Å; C181-T185 PolarHBondContact O-N 2.81Å; C181-L198 HydrophobicContact CB-CD1 4.36Å; C181-L202 HydrophobicContact CB-CD2 3.95Å; C181-W258 HydrophobicContact CB-CE3 4.14Å; C181-W258 HydrophobicContact CB-CZ3 4.06Å |
| 182 | H | 95.1 | Very high | 91.7 | Very high | 53 Ų | 53 | 43.3 Ų | 43.3 | 25% | 0.245 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.9 | -50.4 | 176.3 | -175.8 | 76.9 | 0 | 0 | 0 | 111.2 | Y178 M179 Y180 L184 T185 K186 W258 | Y178-H182 VanDerWaalsContact O-CB 3.28Å; Y178-H182 WeakPolarHBondContact O-CB 3.29Å; Y178-H182 PolarHBondContact O-N 3.3Å; M179-H182 WeakPolarHBondContact O-CB 3.32Å; M179-H182 PolarHBondContact O-N 2.96Å; Y180-H182 VanDerWaalsContact C-N 3.26Å; Y180-H182 PolarHBondContact O-N 3.48Å; H182-L184 VanDerWaalsContact C-N 3.33Å; H182-L184 PolarHBondContact O-N 2.96Å; H182-T185 PolarHBondContact O-N 2.79Å; H182-T185 PolarHBondContact O-OG1 3.42Å; H182-K186 PolarHBondContact CD2-NZ 2.93Å; H182-K186 WeakPolarHBondContact NE2-CE 3.36Å; H182-K186 PolarHBondContact NE2-NZ 3.33Å; H182-W258 HydrophobicContact CB-CH2 3.63Å; H182-W258 HydrophobicContact CB-CZ2 4.36Å; H182-W258 HydrophobicContact CB-CZ3 4.21Å; H182-W258 AromaticContact ND1-CH2 3.54Å; H182-W258 AromaticContact ND1-CZ2 3.49Å; H182-W258 WeakPolarHBondContact ND1-CZ2 3.48Å |
| 183 | S | 93.3 | Very high | 90.8 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -37.4 | 175.9 | -66 | 0 | 0 | 0 | 0 | 112.2 | D124 M179 Y180 T185 K186 | D124-S183 PolarHBondContact OD1-OG 3.18Å; M179-S183 PolarHBondContact O-N 3.07Å; Y180-S183 PolarHBondContact O-N 3.33Å; S183-T185 PolarHBondContact O-N 3.19Å; S183-K186 PolarHBondContact O-N 3.01Å |
| 184 | L | 91.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.9 | -36.7 | 174.8 | -66.9 | 175.9 | 0 | 0 | 0 | 113 | Y180 C181 H182 K186 R187 W190 L198 Y201 | Y180-L184 HydrophobicContact CD1-CD1 4.05Å; Y180-L184 HydrophobicContact CD2-CD1 4.33Å; Y180-L184 HydrophobicContact CD2-CG 4.22Å; Y180-L184 HydrophobicContact CE1-CD1 3.73Å; Y180-L184 HydrophobicContact CE2-CD1 4.01Å; Y180-L184 HydrophobicContact CE2-CD2 3.95Å; Y180-L184 HydrophobicContact CE2-CG 3.93Å; Y180-L184 HydrophobicContact CG-CD1 4.34Å; Y180-L184 VanDerWaalsContact O-CG 3.3Å; Y180-L184 WeakPolarHBondContact O-CG 3.42Å; Y180-L184 PolarHBondContact O-N 3.3Å; C181-L184 PolarHBondContact O-N 3.37Å; H182-L184 VanDerWaalsContact C-N 3.33Å; H182-L184 PolarHBondContact O-N 2.96Å; L184-K186 PolarHBondContact O-N 3.01Å; L184-R187 PolarHBondContact O-N 2.96Å; L184-W190 HydrophobicContact CB-CE3 4.25Å; L184-W190 HydrophobicContact CB-CZ3 4.22Å; L184-W190 HydrophobicContact CD1-CE3 4.42Å; L184-W190 HydrophobicContact CD1-CH2 3.56Å; L184-W190 HydrophobicContact CD1-CZ2 3.9Å; L184-W190 HydrophobicContact CD1-CZ3 3.82Å; L184-W190 HydrophobicContact CD2-CD2 3.79Å; L184-W190 HydrophobicContact CD2-CE3 4.03Å; L184-W190 HydrophobicContact CD2-CG 4.29Å; L184-W190 HydrophobicContact CD2-CH2 4.23Å; L184-W190 HydrophobicContact CD2-CZ2 3.93Å; L184-W190 HydrophobicContact CD2-CZ3 4.25Å; L184-W190 HydrophobicContact CG-CE3 4.46Å; L184-W190 HydrophobicContact CG-CH2 4.39Å; L184-W190 HydrophobicContact CG-CZ3 4.33Å; L184-L198 HydrophobicContact CB-CD1 4.43Å; L184-L198 HydrophobicContact CD1-CD1 4.37Å; L184-Y201 HydrophobicContact CD1-CD2 4.36Å |
| 185 | T | 88.2 | Confident | 89 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 14% | 0.135 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.4 | -20.2 | 179.9 | 68.1 | 0 | 0 | 0 | 0 | 113.2 | C181 H182 S183 R187 W258 Y262 | C181-T185 WeakPolarHBondContact O-CG2 3.44Å; C181-T185 PolarHBondContact O-N 2.81Å; H182-T185 PolarHBondContact O-N 2.79Å; H182-T185 PolarHBondContact O-OG1 3.42Å; S183-T185 PolarHBondContact O-N 3.19Å; T185-R187 VanDerWaalsContact C-N 3.35Å; T185-W258 HydrophobicContact CG2-CB 4.25Å; T185-W258 HydrophobicContact CG2-CD2 3.61Å; T185-W258 HydrophobicContact CG2-CE3 4.02Å; T185-W258 HydrophobicContact CG2-CG 3.7Å; T185-Y262 HydrophobicContact CG2-CE2 4.19Å |
| 186 | K | 88.3 | Confident | 88.5 | Confident | 133 Ų | 133 | 59.4 Ų | 59.4 | 58% | 0.578 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -17.1 | 173 | -60.4 | 174.5 | -174.2 | 168.6 | 0 | 112.6 | H182 S183 L184 R188 | H182-K186 PolarHBondContact CD2-NZ 2.93Å; H182-K186 WeakPolarHBondContact NE2-CE 3.36Å; H182-K186 PolarHBondContact NE2-NZ 3.33Å; S183-K186 PolarHBondContact O-N 3.01Å; L184-K186 PolarHBondContact O-N 3.01Å; K186-R188 PolarHBondContact O-N 2.56Å |
| 187 | R | 87.9 | Confident | 88 | Confident | 50 Ų | 50 | 61.4 Ų | 61.4 | 19% | 0.189 | 28% | 0.281 | C | S | . | . | trans | -98.7 | 84.8 | -175.2 | -61.1 | 179.1 | -167.4 | 169.7 | 6.9 | 111.6 | D124 F125 L184 T185 E189 W190 L191 | D124-R187 PolarHBondContact O-NH2 2.98Å; F125-R187 VanDerWaalsContact O-CZ 3.27Å; F125-R187 PolarHBondContact O-NH1 3.35Å; F125-R187 PolarHBondContact O-NH2 2.63Å; L184-R187 PolarHBondContact O-N 2.96Å; T185-R187 VanDerWaalsContact C-N 3.35Å; R187-E189 VanDerWaalsContact C-N 3.32Å; R187-E189 PolarHBondContact O-N 3.42Å; R187-W190 HydrophobicContact CB-CB 3.91Å; R187-W190 PolarHBondContact O-N 2.93Å; R187-W190 VanDerWaalsContact O-N 3.13Å; R187-L191 PolarHBondContact O-N 3.13Å | ||
| 188 | R | 79.5 | Confident | 87.7 | Confident | 207 Ų | 207 | 61.2 Ų | 61.2 | 78% | 0.781 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -55.1 | -40.7 | -174.2 | -168.7 | 176.1 | -178 | 171.3 | 0.1 | 114.1 | K186 L192 | K186-R188 PolarHBondContact O-N 2.56Å; R188-L192 PolarHBondContact O-N 3.26Å |
| 189 | E | 79.9 | Confident | 87.4 | Confident | 142 Ų | 142 | 63.5 Ų | 63.5 | 66% | 0.664 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -68.4 | -37.1 | -179.7 | -64.1 | -170.8 | -179.2 | 0 | 0 | 112.8 | R187 L192 | R187-E189 VanDerWaalsContact C-N 3.32Å; R187-E189 PolarHBondContact O-N 3.42Å; E189-L192 PolarHBondContact O-N 2.64Å |
| 190 | W | 83.1 | Confident | 87.2 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 4% | 0.038 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 178 | -171.5 | 103.9 | 0 | 0 | 0 | 111.1 | L184 R187 L192 R193 K194 L197 L198 | L184-W190 HydrophobicContact CB-CE3 4.25Å; L184-W190 HydrophobicContact CB-CZ3 4.22Å; L184-W190 HydrophobicContact CD1-CE3 4.42Å; L184-W190 HydrophobicContact CD1-CH2 3.56Å; L184-W190 HydrophobicContact CD1-CZ2 3.9Å; L184-W190 HydrophobicContact CD1-CZ3 3.82Å; L184-W190 HydrophobicContact CD2-CD2 3.79Å; L184-W190 HydrophobicContact CD2-CE3 4.03Å; L184-W190 HydrophobicContact CD2-CG 4.29Å; L184-W190 HydrophobicContact CD2-CH2 4.23Å; L184-W190 HydrophobicContact CD2-CZ2 3.93Å; L184-W190 HydrophobicContact CD2-CZ3 4.25Å; L184-W190 HydrophobicContact CG-CE3 4.46Å; L184-W190 HydrophobicContact CG-CH2 4.39Å; L184-W190 HydrophobicContact CG-CZ3 4.33Å; R187-W190 HydrophobicContact CB-CB 3.91Å; R187-W190 PolarHBondContact O-N 2.93Å; R187-W190 VanDerWaalsContact O-N 3.13Å; W190-L192 PolarHBondContact O-N 3.15Å; W190-R193 PolarHBondContact O-N 2.83Å; W190-K194 HydrophobicContact CD2-CB 4Å; W190-K194 HydrophobicContact CD2-CD 4.2Å; W190-K194 VanDerWaalsContact CE2-CD 3.46Å; W190-K194 HydrophobicContact CE3-CB 4.1Å; W190-K194 HydrophobicContact CG-CD 4.49Å; W190-K194 HydrophobicContact CH2-CB 3.73Å; W190-K194 HydrophobicContact CZ2-CB 3.68Å; W190-K194 HydrophobicContact CZ2-CD 3.7Å; W190-K194 HydrophobicContact CZ2-CG 4.34Å; W190-K194 HydrophobicContact CZ3-CB 3.97Å; W190-K194 PolarHBondContact O-N 2.93Å; W190-L197 HydrophobicContact CH2-CB 4.45Å; W190-L197 HydrophobicContact CH2-CD2 4.45Å; W190-L197 HydrophobicContact CZ2-CD2 4.11Å; W190-L198 HydrophobicContact CH2-CB 4.39Å; W190-L198 HydrophobicContact CZ3-CB 4Å; W190-L198 HydrophobicContact CZ3-CD1 4.39Å |
| 191 | L | 80.9 | Confident | 87.2 | Confident | 21 Ų | 21 | 67.2 Ų | 67.2 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.2 | -38.6 | 178 | -69.3 | 175.5 | 0 | 0 | 0 | 112.5 | R187 R193 S195 L198 Y262 | R187-L191 PolarHBondContact O-N 3.13Å; L191-R193 VanDerWaalsContact C-N 3.31Å; L191-R193 PolarHBondContact O-N 2.65Å; L191-S195 WeakPolarHBondContact O-CB 3.48Å; L191-S195 PolarHBondContact O-N 3Å; L191-L198 HydrophobicContact CD2-CD2 3.51Å; L191-Y262 HydrophobicContact CD1-CD1 4.2Å; L191-Y262 HydrophobicContact CD1-CE1 4.01Å |
| 192 | L | 76.2 | Confident | 87.2 | Confident | 138 Ų | 138 | 67.2 Ų | 67.2 | 72% | 0.723 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66.4 | -32.6 | 178.6 | -69.6 | 170.9 | 0 | 0 | 0 | 112.6 | R188 E189 W190 | R188-L192 PolarHBondContact O-N 3.26Å; E189-L192 PolarHBondContact O-N 2.64Å; W190-L192 PolarHBondContact O-N 3.15Å |
| 193 | R | 79.4 | Confident | 87.3 | Confident | 197 Ų | 197 | 67.2 Ų | 67.2 | 74% | 0.743 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -92.3 | -29.4 | -174.9 | -65.1 | -179.9 | -175.9 | 164.3 | 5.7 | 113.6 | W190 L191 | W190-R193 PolarHBondContact O-N 2.83Å; L191-R193 VanDerWaalsContact C-N 3.31Å; L191-R193 PolarHBondContact O-N 2.65Å |
| 194 | K | 80.2 | Confident | 87.4 | Confident | 97 Ų | 97 | 69.9 Ų | 69.9 | 42% | 0.422 | 32% | 0.32 | S | S | . | . | trans | -130.8 | 31.7 | -166.1 | -68.4 | 177.9 | 174 | 177.3 | 0 | 113.1 | W190 S196 L197 L198 | W190-K194 HydrophobicContact CD2-CB 4Å; W190-K194 HydrophobicContact CD2-CD 4.2Å; W190-K194 VanDerWaalsContact CE2-CD 3.46Å; W190-K194 HydrophobicContact CE3-CB 4.1Å; W190-K194 HydrophobicContact CG-CD 4.49Å; W190-K194 HydrophobicContact CH2-CB 3.73Å; W190-K194 HydrophobicContact CZ2-CB 3.68Å; W190-K194 HydrophobicContact CZ2-CD 3.7Å; W190-K194 HydrophobicContact CZ2-CG 4.34Å; W190-K194 HydrophobicContact CZ3-CB 3.97Å; W190-K194 PolarHBondContact O-N 2.93Å; K194-S196 VanDerWaalsContact C-N 3.28Å; K194-S196 PolarHBondContact O-N 3.43Å; K194-L197 HydrophobicContact CB-CB 4.37Å; K194-L197 PolarHBondContact O-N 3.25Å; K194-L197 VanDerWaalsContact O-N 3.15Å; K194-L198 PolarHBondContact O-N 3.37Å | ||
| 195 | S | 80.6 | Confident | 87.7 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 25% | 0.252 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.9 | -31.3 | -178.2 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | L191 L198 K199 Q266 | L191-S195 WeakPolarHBondContact O-CB 3.48Å; L191-S195 PolarHBondContact O-N 3Å; S195-L198 WeakPolarHBondContact O-CB 3.1Å; S195-K199 PolarHBondContact O-N 3.43Å; S195-K199 VanDerWaalsContact O-N 3.07Å; S195-Q266 PolarHBondContact O-NE2 3.36Å; S195-Q266 PolarHBondContact OG-NE2 2.96Å |
| 196 | S | 86.6 | Confident | 88.2 | Confident | 53 Ų | 53 | 68.9 Ų | 68.9 | 37% | 0.371 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.1 | -38.9 | 175.3 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | K194 K199 K200 Q266 | K194-S196 VanDerWaalsContact C-N 3.28Å; K194-S196 PolarHBondContact O-N 3.43Å; S196-K199 WeakPolarHBondContact O-CB 3.27Å; S196-K199 PolarHBondContact O-N 3.36Å; S196-K200 PolarHBondContact O-N 3.41Å; S196-K200 VanDerWaalsContact O-N 3.12Å; S196-Q266 VanDerWaalsContact N-NE2 3.14Å |
| 197 | L | 89.9 | Confident | 88.6 | Confident | 47 Ų | 47 | 64.2 Ų | 64.2 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 175.2 | -173.6 | 61.6 | 0 | 0 | 0 | 111.4 | W190 K194 K199 K200 Y201 | W190-L197 HydrophobicContact CH2-CB 4.45Å; W190-L197 HydrophobicContact CH2-CD2 4.45Å; W190-L197 HydrophobicContact CZ2-CD2 4.11Å; K194-L197 HydrophobicContact CB-CB 4.37Å; K194-L197 PolarHBondContact O-N 3.25Å; K194-L197 VanDerWaalsContact O-N 3.15Å; L197-K199 VanDerWaalsContact C-N 3.33Å; L197-K199 PolarHBondContact O-N 3.47Å; L197-K200 PolarHBondContact O-N 3.08Å; L197-Y201 HydrophobicContact CD1-CE1 4.24Å; L197-Y201 HydrophobicContact CD1-CE2 3.88Å; L197-Y201 HydrophobicContact CD2-CE2 3.88Å; L197-Y201 HydrophobicContact CG-CD2 4.14Å; L197-Y201 HydrophobicContact CG-CE2 3.46Å; L197-Y201 VanDerWaalsContact CG-CE2 3.46Å; L197-Y201 WeakPolarHBondContact O-CD2 3.26Å; L197-Y201 PolarHBondContact O-N 3.42Å; L197-Y201 VanDerWaalsContact O-N 3.11Å |
| 198 | L | 91.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.9 | -49.3 | 170.6 | -175.6 | 67.6 | 0 | 0 | 0 | 111.1 | C181 L184 W190 L191 K194 S195 K200 Y201 L202 Y262 | C181-L198 HydrophobicContact CB-CD1 4.36Å; L184-L198 HydrophobicContact CB-CD1 4.43Å; L184-L198 HydrophobicContact CD1-CD1 4.37Å; W190-L198 HydrophobicContact CH2-CB 4.39Å; W190-L198 HydrophobicContact CZ3-CB 4Å; W190-L198 HydrophobicContact CZ3-CD1 4.39Å; L191-L198 HydrophobicContact CD2-CD2 3.51Å; K194-L198 PolarHBondContact O-N 3.37Å; S195-L198 WeakPolarHBondContact O-CB 3.1Å; L198-K200 PolarHBondContact O-N 3.1Å; L198-Y201 PolarHBondContact O-N 2.82Å; L198-Y201 VanDerWaalsContact O-N 3.13Å; L198-L202 HydrophobicContact CD1-CD1 4.42Å; L198-L202 HydrophobicContact CD1-CG 4.33Å; L198-L202 HydrophobicContact CD2-CD1 4.24Å; L198-L202 HydrophobicContact CG-CD1 3.82Å; L198-L202 HydrophobicContact CG-CG 4.14Å; L198-L202 VanDerWaalsContact O-CG 3.29Å; L198-L202 WeakPolarHBondContact O-CG 3.48Å; L198-L202 PolarHBondContact O-N 3.42Å; L198-Y262 HydrophobicContact CD2-CD2 4.47Å |
| 199 | K | 92.8 | Very high | 90 | Very high | 65 Ų | 65 | 53.8 Ų | 53.8 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.1 | -43.6 | -179.9 | -170.4 | 178.6 | -178.1 | 172.5 | 0 | 111.2 | S195 S196 L197 L202 L203 C263 F291 | S195-K199 PolarHBondContact O-N 3.43Å; S195-K199 VanDerWaalsContact O-N 3.07Å; S196-K199 WeakPolarHBondContact O-CB 3.27Å; S196-K199 PolarHBondContact O-N 3.36Å; L197-K199 VanDerWaalsContact C-N 3.33Å; L197-K199 PolarHBondContact O-N 3.47Å; K199-L202 PolarHBondContact O-N 3.24Å; K199-L203 HydrophobicContact CG-CD1 4.15Å; K199-L203 WeakPolarHBondContact O-CB 3.35Å; K199-L203 VanDerWaalsContact O-CG 3.24Å; K199-L203 WeakPolarHBondContact O-CG 3.39Å; K199-L203 PolarHBondContact O-N 3.45Å; K199-C263 HydrophobicContact CB-CB 4.13Å; K199-C263 HydrophobicContact CD-CB 4.1Å; K199-C263 HydrophobicContact CG-CB 4.05Å; K199-F291 HydrophobicContact CG-CE2 4.3Å; K199-F291 HydrophobicContact CG-CZ 4.18Å |
| 200 | K | 93.6 | Very high | 90.8 | Very high | 125 Ų | 125 | 49.2 Ų | 49.2 | 54% | 0.543 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.7 | -51.5 | 175.9 | -175.5 | 177 | 178.5 | 176.7 | 0 | 111.9 | S196 L197 L198 L202 L203 D204 | S196-K200 PolarHBondContact O-N 3.41Å; S196-K200 VanDerWaalsContact O-N 3.12Å; L197-K200 PolarHBondContact O-N 3.08Å; L198-K200 PolarHBondContact O-N 3.1Å; K200-L202 VanDerWaalsContact C-N 3.29Å; K200-L202 PolarHBondContact O-N 3.15Å; K200-L203 PolarHBondContact O-N 3.26Å; K200-D204 PolarHBondContact O-N 3.2Å |
| 201 | Y | 95.8 | Very high | 91.4 | Very high | 10 Ų | 10 | 52.2 Ų | 52.2 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.2 | -37.3 | 178.9 | -63.8 | -40 | 0 | 0 | 0 | 112.9 | S131 K135 L177 Y180 L184 L197 L198 G205 | S131-Y201 PolarHBondContact OG-OH 2.99Å; K135-Y201 WeakPolarHBondContact CE-OH 3.4Å; L177-Y201 HydrophobicContact CD2-CD1 3.95Å; L177-Y201 HydrophobicContact CD2-CG 4.32Å; Y180-Y201 HydrophobicContact CD1-CD2 4.22Å; Y180-Y201 HydrophobicContact CD1-CE2 4.27Å; Y180-Y201 AromaticContact CE1-CD2 3.86Å; Y180-Y201 HydrophobicContact CE1-CD2 3.86Å; Y180-Y201 AromaticContact CE1-CE2 3.5Å; Y180-Y201 HydrophobicContact CE1-CE2 3.5Å; Y180-Y201 VanDerWaalsContact CE1-CE2 3.5Å; Y180-Y201 AromaticContact CE1-CZ 3.99Å; L184-Y201 HydrophobicContact CD1-CD2 4.36Å; L197-Y201 HydrophobicContact CD1-CE1 4.24Å; L197-Y201 HydrophobicContact CD1-CE2 3.88Å; L197-Y201 HydrophobicContact CD2-CE2 3.88Å; L197-Y201 HydrophobicContact CG-CD2 4.14Å; L197-Y201 HydrophobicContact CG-CE2 3.46Å; L197-Y201 VanDerWaalsContact CG-CE2 3.46Å; L197-Y201 WeakPolarHBondContact O-CD2 3.26Å; L197-Y201 PolarHBondContact O-N 3.42Å; L197-Y201 VanDerWaalsContact O-N 3.11Å; L198-Y201 PolarHBondContact O-N 2.82Å; L198-Y201 VanDerWaalsContact O-N 3.13Å; Y201-G205 PolarHBondContact O-N 3.38Å |
| 202 | L | 96.8 | Very high | 92 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.9 | -47.7 | 175.1 | -67.8 | 173.3 | 0 | 0 | 0 | 111.5 | C181 L198 K199 K200 G205 I206 M255 W258 F291 | C181-L202 HydrophobicContact CB-CD2 3.95Å; L198-L202 HydrophobicContact CD1-CD1 4.42Å; L198-L202 HydrophobicContact CD1-CG 4.33Å; L198-L202 HydrophobicContact CD2-CD1 4.24Å; L198-L202 HydrophobicContact CG-CD1 3.82Å; L198-L202 HydrophobicContact CG-CG 4.14Å; L198-L202 VanDerWaalsContact O-CG 3.29Å; L198-L202 WeakPolarHBondContact O-CG 3.48Å; L198-L202 PolarHBondContact O-N 3.42Å; K199-L202 PolarHBondContact O-N 3.24Å; K200-L202 VanDerWaalsContact C-N 3.29Å; K200-L202 PolarHBondContact O-N 3.15Å; L202-G205 PolarHBondContact O-N 3.25Å; L202-I206 WeakPolarHBondContact O-CB 3.47Å; L202-I206 VanDerWaalsContact O-CD1 3.3Å; L202-I206 WeakPolarHBondContact O-CD1 3.4Å; L202-I206 WeakPolarHBondContact O-CG1 3.27Å; L202-I206 PolarHBondContact O-N 3.25Å; L202-M255 HydrophobicContact CD2-CB 3.82Å; L202-M255 HydrophobicContact CD2-CE 4.02Å; L202-M255 HydrophobicContact CD2-CG 4Å; L202-W258 HydrophobicContact CD1-CB 4.23Å; L202-W258 HydrophobicContact CD2-CB 4.22Å; L202-W258 HydrophobicContact CD2-CE3 3.96Å; L202-F291 HydrophobicContact CB-CE1 4.06Å; L202-F291 HydrophobicContact CB-CZ 4.27Å |
| 203 | L | 96.1 | Very high | 92.9 | Very high | 54 Ų | 54 | 45.7 Ų | 45.7 | 28% | 0.283 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 178.9 | -71.5 | 172.3 | 0 | 0 | 0 | 111.9 | K199 K200 S207 L289 F291 | K199-L203 HydrophobicContact CG-CD1 4.15Å; K199-L203 WeakPolarHBondContact O-CB 3.35Å; K199-L203 VanDerWaalsContact O-CG 3.24Å; K199-L203 WeakPolarHBondContact O-CG 3.39Å; K199-L203 PolarHBondContact O-N 3.45Å; K200-L203 PolarHBondContact O-N 3.26Å; L203-S207 WeakPolarHBondContact O-CB 3.41Å; L203-S207 PolarHBondContact O-N 2.93Å; L203-L289 HydrophobicContact CD2-CB 3.7Å; L203-L289 HydrophobicContact CD2-CD2 3.99Å; L203-L289 HydrophobicContact CD2-CG 4.27Å; L203-F291 HydrophobicContact CD2-CE1 3.9Å; L203-F291 HydrophobicContact CD2-CZ 3.79Å; L203-F291 HydrophobicContact CG-CE1 4.36Å; L203-F291 HydrophobicContact CG-CZ 4.01Å |
| 204 | D | 96.7 | Very high | 93.5 | Very high | 61 Ų | 61 | 42.2 Ų | 42.2 | 33% | 0.326 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63 | -46.9 | 178.7 | -69.3 | -15.2 | 0 | 0 | 0 | 110.5 | L177 K200 S207 Y208 | L177-D204 HydrophobicContact CD1-CB 3.8Å; K200-D204 PolarHBondContact O-N 3.2Å; D204-S207 WeakPolarHBondContact O-CB 3.37Å; D204-S207 PolarHBondContact O-N 3.04Å; D204-Y208 HydrophobicContact CB-CE2 4.31Å; D204-Y208 WeakPolarHBondContact O-CD2 3.43Å; D204-Y208 PolarHBondContact O-N 3.39Å |
| 205 | G | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.8 | -44.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y201 L202 S207 Y208 L209 | Y201-G205 PolarHBondContact O-N 3.38Å; L202-G205 PolarHBondContact O-N 3.25Å; G205-S207 VanDerWaalsContact C-N 3.32Å; G205-S207 PolarHBondContact O-N 3.05Å; G205-Y208 PolarHBondContact O-N 2.81Å; G205-L209 WeakPolarHBondContact O-CG 3.47Å; G205-L209 PolarHBondContact O-N 2.69Å |
| 206 | I | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 174.1 | -66.5 | 159.7 | 0 | 0 | 0 | 110.1 | L202 Y208 L209 L210 M255 L289 F291 V294 | L202-I206 WeakPolarHBondContact O-CB 3.47Å; L202-I206 VanDerWaalsContact O-CD1 3.3Å; L202-I206 WeakPolarHBondContact O-CD1 3.4Å; L202-I206 WeakPolarHBondContact O-CG1 3.27Å; L202-I206 PolarHBondContact O-N 3.25Å; I206-Y208 VanDerWaalsContact C-N 3.33Å; I206-Y208 PolarHBondContact O-N 3.27Å; I206-L209 PolarHBondContact O-N 2.95Å; I206-L210 HydrophobicContact CG2-CD1 3.83Å; I206-L210 HydrophobicContact CG2-CG 4.07Å; I206-L210 WeakPolarHBondContact O-CB 3.47Å; I206-L210 VanDerWaalsContact O-CG 3.27Å; I206-L210 WeakPolarHBondContact O-CG 3.39Å; I206-L210 PolarHBondContact O-N 3.37Å; I206-M255 HydrophobicContact CD1-CB 3.95Å; I206-M255 HydrophobicContact CG1-CB 3.71Å; I206-L289 HydrophobicContact CB-CD1 4.39Å; I206-L289 HydrophobicContact CD1-CD2 4.29Å; I206-L289 HydrophobicContact CG2-CD1 3.69Å; I206-F291 HydrophobicContact CD1-CD1 3.67Å; I206-F291 HydrophobicContact CD1-CE1 3.63Å; I206-V294 HydrophobicContact CG2-CG1 4.08Å |
| 207 | S | 97.2 | Very high | 94 | Very high | 35 Ų | 35 | 44.3 Ų | 44.3 | 25% | 0.245 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59 | -44.3 | 178.2 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | L203 D204 G205 L210 Q211 | L203-S207 WeakPolarHBondContact O-CB 3.41Å; L203-S207 PolarHBondContact O-N 2.93Å; D204-S207 WeakPolarHBondContact O-CB 3.37Å; D204-S207 PolarHBondContact O-N 3.04Å; G205-S207 VanDerWaalsContact C-N 3.32Å; G205-S207 PolarHBondContact O-N 3.05Å; S207-L210 PolarHBondContact O-N 3.31Å; S207-Q211 VanDerWaalsContact O-CG 3.28Å; S207-Q211 WeakPolarHBondContact O-CG 3.45Å; S207-Q211 PolarHBondContact O-N 3.48Å |
| 208 | Y | 98.2 | Very high | 93.9 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 15% | 0.153 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.6 | -44.1 | 177.1 | -67.9 | -50.8 | 0 | 0 | 0 | 112.6 | S170 R173 L177 D204 G205 I206 L210 Q211 M212 | S170-Y208 WeakPolarHBondContact CB-O 3.4Å; S170-Y208 WeakPolarHBondContact O-CB 3.41Å; R173-Y208 HydrophobicContact CB-CD1 4.28Å; R173-Y208 HydrophobicContact CB-CD2 3.58Å; R173-Y208 HydrophobicContact CB-CE2 3.88Å; R173-Y208 HydrophobicContact CB-CG 3.8Å; R173-Y208 VanDerWaalsContact CZ-CD1 3.45Å; L177-Y208 HydrophobicContact CD1-CD2 3.95Å; L177-Y208 HydrophobicContact CD1-CE2 4.01Å; D204-Y208 HydrophobicContact CB-CE2 4.31Å; D204-Y208 WeakPolarHBondContact O-CD2 3.43Å; D204-Y208 PolarHBondContact O-N 3.39Å; G205-Y208 PolarHBondContact O-N 2.81Å; I206-Y208 VanDerWaalsContact C-N 3.33Å; I206-Y208 PolarHBondContact O-N 3.27Å; Y208-L210 VanDerWaalsContact C-N 3.33Å; Y208-L210 PolarHBondContact O-N 3.02Å; Y208-Q211 WeakPolarHBondContact O-CB 3.33Å; Y208-Q211 PolarHBondContact O-N 3.33Å; Y208-M212 WeakPolarHBondContact O-CB 3.19Å; Y208-M212 PolarHBondContact O-N 2.92Å |
| 209 | L | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -37.6 | 177.7 | -66.4 | 174.9 | 0 | 0 | 0 | 112.1 | W171 G205 I206 M212 L213 A248 S252 M255 | W171-L209 HydrophobicContact CE3-CD2 3.69Å; W171-L209 HydrophobicContact CZ3-CD2 3.78Å; G205-L209 WeakPolarHBondContact O-CG 3.47Å; G205-L209 PolarHBondContact O-N 2.69Å; I206-L209 PolarHBondContact O-N 2.95Å; L209-M212 WeakPolarHBondContact O-CB 3.27Å; L209-M212 PolarHBondContact O-N 2.99Å; L209-L213 WeakPolarHBondContact O-CG 3.31Å; L209-L213 PolarHBondContact O-N 3.45Å; L209-L213 VanDerWaalsContact O-N 3.14Å; L209-A248 HydrophobicContact CD2-CB 4.08Å; L209-S252 VanDerWaalsContact CB-OG 3.23Å; L209-S252 WeakPolarHBondContact CB-OG 3.49Å; L209-S252 WeakPolarHBondContact CD1-OG 2.98Å; L209-M255 HydrophobicContact CD1-SD 4.2Å |
| 210 | L | 96.6 | Very high | 93 | Very high | 45 Ų | 45 | 53.3 Ų | 53.3 | 24% | 0.236 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.2 | -37.7 | 173.7 | -68.6 | -179 | 0 | 0 | 0 | 112 | I206 S207 Y208 L213 N214 V294 I298 | I206-L210 HydrophobicContact CG2-CD1 3.83Å; I206-L210 HydrophobicContact CG2-CG 4.07Å; I206-L210 WeakPolarHBondContact O-CB 3.47Å; I206-L210 VanDerWaalsContact O-CG 3.27Å; I206-L210 WeakPolarHBondContact O-CG 3.39Å; I206-L210 PolarHBondContact O-N 3.37Å; S207-L210 PolarHBondContact O-N 3.31Å; Y208-L210 VanDerWaalsContact C-N 3.33Å; Y208-L210 PolarHBondContact O-N 3.02Å; L210-L213 PolarHBondContact O-N 2.84Å; L210-N214 PolarHBondContact O-N 3.5Å; L210-N214 PolarHBondContact O-ND2 3.21Å; L210-V294 HydrophobicContact CD1-CG1 3.97Å; L210-V294 HydrophobicContact CD2-CG1 4.47Å; L210-I298 HydrophobicContact CD2-CD1 4.5Å |
| 211 | Q | 94.4 | Very high | 92.2 | Very high | 74 Ų | 74 | 50.9 Ų | 50.9 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 172.8 | -76.5 | 170.1 | -12 | 0 | 0 | 111.3 | S207 Y208 L213 N214 Y215 | S207-Q211 VanDerWaalsContact O-CG 3.28Å; S207-Q211 WeakPolarHBondContact O-CG 3.45Å; S207-Q211 PolarHBondContact O-N 3.48Å; Y208-Q211 WeakPolarHBondContact O-CB 3.33Å; Y208-Q211 PolarHBondContact O-N 3.33Å; Q211-L213 VanDerWaalsContact C-N 3.3Å; Q211-L213 PolarHBondContact O-N 3.07Å; Q211-N214 PolarHBondContact O-N 2.94Å; Q211-Y215 HydrophobicContact CB-CE2 4.24Å; Q211-Y215 VanDerWaalsContact O-CD2 3.22Å; Q211-Y215 WeakPolarHBondContact O-CD2 3.3Å; Q211-Y215 PolarHBondContact O-N 2.99Å |
| 212 | M | 95.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -50.2 | -50.4 | 176.2 | 178 | -83 | -175 | 0 | 0 | 111.4 | E167 W171 Y208 L209 N214 Y215 I244 A248 | E167-M212 HydrophobicContact CG-CE 4.01Å; E167-M212 HydrophobicContact CG-CG 3.74Å; E167-M212 HydrophobicContact CG-SD 4.27Å; E167-M212 WeakPolarHBondContact O-CG 3.3Å; W171-M212 HydrophobicContact CB-CE 4.31Å; W171-M212 HydrophobicContact CB-CG 3.81Å; W171-M212 HydrophobicContact CE3-CE 4.35Å; Y208-M212 WeakPolarHBondContact O-CB 3.19Å; Y208-M212 PolarHBondContact O-N 2.92Å; L209-M212 WeakPolarHBondContact O-CB 3.27Å; L209-M212 PolarHBondContact O-N 2.99Å; M212-N214 PolarHBondContact O-N 3.46Å; M212-Y215 PolarHBondContact O-N 3.06Å; M212-I244 HydrophobicContact CE-CB 4.1Å; M212-I244 HydrophobicContact CE-CG2 3.44Å; M212-I244 VanDerWaalsContact CE-CG2 3.44Å; M212-A248 HydrophobicContact SD-CB 3.92Å |
| 213 | L | 95 | Very high | 89.4 | Confident | 21 Ų | 21 | 65.2 Ų | 65.2 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -8.4 | 179.6 | -68.6 | 172.7 | 0 | 0 | 0 | 115.1 | L209 L210 Q211 H245 A248 M249 I298 | L209-L213 WeakPolarHBondContact O-CG 3.31Å; L209-L213 PolarHBondContact O-N 3.45Å; L209-L213 VanDerWaalsContact O-N 3.14Å; L210-L213 PolarHBondContact O-N 2.84Å; Q211-L213 VanDerWaalsContact C-N 3.3Å; Q211-L213 PolarHBondContact O-N 3.07Å; L213-H245 HydrophobicContact CD2-CB 4Å; L213-A248 HydrophobicContact CD1-CB 4.5Å; L213-A248 HydrophobicContact CD2-CB 4.07Å; L213-A248 HydrophobicContact CG-CB 4.21Å; L213-M249 HydrophobicContact CD1-CG 4.1Å; L213-M249 HydrophobicContact CD2-CE 4.14Å; L213-M249 HydrophobicContact CD2-CG 4.35Å; L213-I298 HydrophobicContact CD1-CD1 3.76Å; L213-I298 HydrophobicContact CD1-CG1 4.48Å |
| 214 | N | 91.9 | Very high | 87.7 | Confident | 124 Ų | 124 | 66.4 Ų | 66.4 | 66% | 0.663 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | 1.7 | -174.6 | -73.3 | -59.1 | 0 | 0 | 0 | 114.2 | L210 Q211 M212 | L210-N214 PolarHBondContact O-N 3.5Å; L210-N214 PolarHBondContact O-ND2 3.21Å; Q211-N214 PolarHBondContact O-N 2.94Å; M212-N214 PolarHBondContact O-N 3.46Å |
| 215 | Y | 87.9 | Confident | 86.1 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 18% | 0.184 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -70.4 | -41.8 | 177 | -79.5 | -68.2 | 0 | 0 | 0 | 112.7 | L166 E167 S170 Q211 M212 | L166-Y215 VanDerWaalsContact C-CE2 3.43Å; L166-Y215 HydrophobicContact CB-CD1 3.68Å; L166-Y215 HydrophobicContact CB-CD2 4.26Å; L166-Y215 HydrophobicContact CB-CE1 3.43Å; L166-Y215 VanDerWaalsContact CB-CE1 3.43Å; L166-Y215 HydrophobicContact CB-CE2 4Å; L166-Y215 HydrophobicContact CB-CG 4.1Å; L166-Y215 HydrophobicContact CD1-CD1 4.1Å; L166-Y215 HydrophobicContact CD1-CE1 3.83Å; L166-Y215 HydrophobicContact CG-CE1 4.16Å; L166-Y215 VanDerWaalsContact O-CE2 3.22Å; L166-Y215 WeakPolarHBondContact O-CE2 3.48Å; E167-Y215 VanDerWaalsContact CA-CD2 3.46Å; E167-Y215 HydrophobicContact CB-CD2 4.03Å; E167-Y215 HydrophobicContact CB-CG 4.45Å; S170-Y215 VanDerWaalsContact OG-CE2 3.3Å; S170-Y215 WeakPolarHBondContact OG-CE2 3.36Å; S170-Y215 PolarHBondContact OG-OH 3.45Å; Q211-Y215 HydrophobicContact CB-CE2 4.24Å; Q211-Y215 VanDerWaalsContact O-CD2 3.22Å; Q211-Y215 WeakPolarHBondContact O-CD2 3.3Å; Q211-Y215 PolarHBondContact O-N 2.99Å; M212-Y215 PolarHBondContact O-N 3.06Å |
| 216 | R | 86.4 | Confident | 84.6 | Confident | 72 Ų | 72 | 73 Ų | 73 | 27% | 0.272 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -89.6 | 137.3 | 177.7 | -61.2 | -167.3 | -153.3 | -141.6 | -1.9 | 111.2 | E164 E167 F241 | E164-R216 IonicContact OE1-CZ 3.47Å; E164-R216 IonicContact OE1-NH1 2.79Å; E164-R216 PolarHBondContact OE1-NH1 3.05Å; E164-R216 IonicContact OE1-NH2 3.47Å; E164-R216 PolarHBondContact OE1-NH2 3.4Å; E167-R216 IonicContact OE2-CZ 3.23Å; E167-R216 VanDerWaalsContact OE2-CZ 3.23Å; E167-R216 IonicContact OE2-NE 2.65Å; E167-R216 PolarHBondContact OE2-NE 3.1Å; E167-R216 IonicContact OE2-NH2 2.94Å; E167-R216 PolarHBondContact OE2-NH2 2.67Å; R216-F241 HydrophobicContact CB-CD2 3.96Å; R216-F241 HydrophobicContact CB-CE2 3.43Å; R216-F241 VanDerWaalsContact CB-CE2 3.43Å; R216-F241 HydrophobicContact CB-CZ 3.79Å; R216-F241 HydrophobicContact CG-CD2 4.47Å; R216-F241 HydrophobicContact CG-CE2 4.39Å |
| 217 | C | 83.7 | Confident | 83.2 | Confident | 111 Ų | 111 | 76.4 Ų | 76.4 | 75% | 0.75 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 131 | 174 | -69.6 | 0 | 0 | 0 | 0 | 110.9 | ||
| 218 | P | 87.1 | Confident | 82.1 | Confident | 74 Ų | 74 | 84.6 Ų | 84.6 | 48% | 0.481 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 146.7 | 172.8 | -21.4 | 31.6 | 0 | 0 | 0 | 112.7 | L236 S237 | P218-L236 WeakPolarHBondContact CA-O 3.23Å; P218-S237 WeakPolarHBondContact CB-O 3.42Å |
| 219 | I | 84 | Confident | 81.5 | Confident | 74 Ų | 74 | 86.4 Ų | 86.4 | 38% | 0.379 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 132 | -179.7 | -57.8 | -174.6 | 0 | 0 | 0 | 110.4 | L221 L236 S237 | I219-L221 PolarHBondContact O-N 3.12Å; I219-L236 HydrophobicContact CB-CB 4.27Å; I219-L236 HydrophobicContact CD1-CB 3.75Å; I219-L236 HydrophobicContact CD1-CD1 3.78Å; I219-L236 HydrophobicContact CD1-CD2 4.48Å; I219-L236 HydrophobicContact CD1-CG 4.21Å; I219-L236 HydrophobicContact CG1-CB 4.04Å; I219-L236 PolarHBondContact N-O 3.03Å; I219-L236 VanDerWaalsContact N-O 3.1Å; I219-S237 VanDerWaalsContact O-CA 3.31Å; I219-S237 WeakPolarHBondContact O-CA 3.18Å; I219-S237 WeakPolarHBondContact O-CB 3.42Å |
| 220 | Q | 81.4 | Confident | 81 | Confident | 153 Ų | 153 | 91.6 Ų | 91.6 | 72% | 0.715 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 117.5 | 171.2 | -65.8 | -177.3 | 3.4 | 0 | 0 | 110.1 | N222 | Q220-N222 PolarHBondContact O-N 2.97Å; Q220-N222 VanDerWaalsContact O-N 3.11Å |
| 221 | L | 75.9 | Confident | 80.7 | Confident | 74 Ų | 74 | 92.2 Ų | 92.2 | 39% | 0.387 | 50% | 0.501 | S | S | . | . | trans | -78.3 | 92.8 | 174.1 | -57.4 | 179.9 | 0 | 0 | 0 | 108.9 | I219 F227 A233 | I219-L221 PolarHBondContact O-N 3.12Å; L221-F227 HydrophobicContact CD2-CD2 4.16Å; L221-F227 HydrophobicContact CD2-CE1 4.26Å; L221-F227 HydrophobicContact CD2-CE2 3.4Å; L221-F227 HydrophobicContact CD2-CZ 3.45Å; L221-F227 VanDerWaalsContact CD2-CZ 3.45Å; L221-A233 HydrophobicContact CD2-CB 3.85Å | ||
| 222 | N | 75.3 | Confident | 80.5 | Confident | 98 Ų | 98 | 92 Ų | 92 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | trans | -84.3 | 145.7 | 173.8 | -67.9 | -27.7 | 0 | 0 | 0 | 110.6 | Q220 G224 V225 | Q220-N222 PolarHBondContact O-N 2.97Å; Q220-N222 VanDerWaalsContact O-N 3.11Å; N222-G224 PolarHBondContact O-N 2.94Å; N222-V225 PolarHBondContact O-N 3.5Å; N222-V225 VanDerWaalsContact O-N 3.15Å | ||
| 223 | E | 59 | Low | 80.2 | Confident | 213 Ų | 213 | 92 Ų | 92 | 100% | 0.995 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -15.3 | -178.8 | -66.1 | 177.9 | 168 | 0 | 0 | 114.4 | ||
| 224 | G | 60.2 | Low | 80.1 | Confident | 79 Ų | 79 | 95 Ų | 95 | 81% | 0.814 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -1.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | N222 | N222-G224 PolarHBondContact O-N 2.94Š|
| 225 | V | 63.7 | Low | 80.2 | Confident | 82 Ų | 82 | 90.3 Ų | 90.3 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | trans | -105.2 | 112.5 | -179.7 | -177.8 | 0 | 0 | 0 | 0 | 109.3 | N222 F227 | N222-V225 PolarHBondContact O-N 3.5Å; N222-V225 VanDerWaalsContact O-N 3.15Å; V225-F227 HydrophobicContact CB-CE2 3.99Å; V225-F227 HydrophobicContact CB-CZ 4.34Å; V225-F227 HydrophobicContact CG1-CD2 4.28Å; V225-F227 HydrophobicContact CG1-CE1 4.27Å; V225-F227 HydrophobicContact CG1-CE2 3.76Å; V225-F227 HydrophobicContact CG1-CZ 3.77Å; V225-F227 WeakPolarHBondContact O-CD2 3.36Å; V225-F227 PolarHBondContact O-N 3.44Å | ||
| 226 | S | 65.9 | Low | 80.4 | Confident | 118 Ų | 118 | 89.9 Ų | 89.9 | 83% | 0.825 | 49% | 0.493 | S | S | * | . | trans | -79.2 | 108.3 | 174.5 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 227 | F | 69 | Low | 80.6 | Confident | 71 Ų | 71 | 88.6 Ų | 88.6 | 31% | 0.311 | 50% | 0.495 | S | S | . | . | trans | -82.8 | 133.4 | 168.5 | -64.5 | -87.5 | 0 | 0 | 0 | 109.6 | L221 V225 D229 A233 | L221-F227 HydrophobicContact CD2-CD2 4.16Å; L221-F227 HydrophobicContact CD2-CE1 4.26Å; L221-F227 HydrophobicContact CD2-CE2 3.4Å; L221-F227 HydrophobicContact CD2-CZ 3.45Å; L221-F227 VanDerWaalsContact CD2-CZ 3.45Å; V225-F227 HydrophobicContact CB-CE2 3.99Å; V225-F227 HydrophobicContact CB-CZ 4.34Å; V225-F227 HydrophobicContact CG1-CD2 4.28Å; V225-F227 HydrophobicContact CG1-CE1 4.27Å; V225-F227 HydrophobicContact CG1-CE2 3.76Å; V225-F227 HydrophobicContact CG1-CZ 3.77Å; V225-F227 WeakPolarHBondContact O-CD2 3.36Å; V225-F227 PolarHBondContact O-N 3.44Å; F227-D229 VanDerWaalsContact C-N 3.34Å; F227-A233 HydrophobicContact CB-CB 3.76Å; F227-A233 HydrophobicContact CD1-CB 3.58Å; F227-A233 HydrophobicContact CD2-CB 3.77Å; F227-A233 HydrophobicContact CE1-CB 4.09Å; F227-A233 HydrophobicContact CE2-CB 4.27Å; F227-A233 HydrophobicContact CG-CB 3.4Å; F227-A233 VanDerWaalsContact CG-CB 3.4Å; F227-A233 HydrophobicContact CZ-CB 4.41Å | ||
| 228 | Q | 73.8 | Confident | 80.9 | Confident | 207 Ų | 207 | 84.9 Ų | 84.9 | 97% | 0.967 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -70.4 | -34.8 | 175.9 | -67.1 | -179.3 | 1.8 | 0 | 0 | 111.4 | ||
| 229 | D | 86.6 | Confident | 81.2 | Confident | 76 Ų | 76 | 81.6 Ų | 81.6 | 41% | 0.406 | 45% | 0.451 | S | S | . | . | trans | -120.8 | 117.2 | 173.2 | 174.4 | 26.5 | 0 | 0 | 0 | 110.2 | F227 D231 T232 A233 | F227-D229 VanDerWaalsContact C-N 3.34Å; D229-D231 VanDerWaalsContact C-N 3.31Å; D229-D231 PolarHBondContact OD1-N 3.32Å; D229-T232 WeakPolarHBondContact OD2-CB 3.1Å; D229-T232 PolarHBondContact OD2-N 2.91Å; D229-T232 PolarHBondContact OD2-OG1 3.41Å; D229-A233 PolarHBondContact O-N 2.95Å | ||
| 230 | L | 87.9 | Confident | 81.7 | Confident | 109 Ų | 109 | 78.4 Ų | 78.4 | 57% | 0.571 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -68.4 | -31.5 | -179.7 | -179.7 | 63.2 | 0 | 0 | 0 | 111.7 | A233 K234 | L230-A233 WeakPolarHBondContact O-CB 3.34Å; L230-A233 PolarHBondContact O-N 2.92Å; L230-K234 WeakPolarHBondContact O-CG 3.49Å; L230-K234 PolarHBondContact O-N 2.97Å |
| 231 | D | 90.4 | Very high | 82.3 | Confident | 58 Ų | 58 | 74 Ų | 74 | 31% | 0.31 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -77.1 | -39.7 | -176.8 | -70.8 | -29.3 | 0 | 0 | 0 | 111.5 | D229 A233 K234 L235 P309 | D229-D231 VanDerWaalsContact C-N 3.31Å; D229-D231 PolarHBondContact OD1-N 3.32Å; D231-A233 VanDerWaalsContact C-N 3.3Å; D231-A233 PolarHBondContact O-N 3.42Å; D231-K234 PolarHBondContact O-N 3.4Å; D231-K234 IonicContact OD1-NZ 3.2Å; D231-K234 PolarHBondContact OD1-NZ 3.49Å; D231-L235 WeakPolarHBondContact O-CG 3.22Å; D231-L235 PolarHBondContact O-N 2.88Å; D231-P309 HydrophobicContact CB-CB 3.85Å |
| 232 | T | 90.2 | Very high | 83.2 | Confident | 70 Ų | 70 | 72.3 Ų | 72.3 | 43% | 0.429 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -55.9 | -44.1 | 165.6 | -65.2 | 0 | 0 | 0 | 0 | 111.8 | D229 K234 L235 L236 | D229-T232 WeakPolarHBondContact OD2-CB 3.1Å; D229-T232 PolarHBondContact OD2-N 2.91Å; D229-T232 PolarHBondContact OD2-OG1 3.41Å; T232-K234 PolarHBondContact O-N 3.44Å; T232-L235 WeakPolarHBondContact O-CB 3.18Å; T232-L235 PolarHBondContact O-N 3.24Å; T232-L236 HydrophobicContact CG2-CD1 3.91Å; T232-L236 HydrophobicContact CG2-CG 4.32Å; T232-L236 WeakPolarHBondContact O-CG 3.35Å; T232-L236 PolarHBondContact O-N 2.95Å |
| 233 | A | 89.8 | Confident | 84.1 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.008 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L221 F227 D229 L230 D231 L235 L236 S237 | L221-A233 HydrophobicContact CD2-CB 3.85Å; F227-A233 HydrophobicContact CB-CB 3.76Å; F227-A233 HydrophobicContact CD1-CB 3.58Å; F227-A233 HydrophobicContact CD2-CB 3.77Å; F227-A233 HydrophobicContact CE1-CB 4.09Å; F227-A233 HydrophobicContact CE2-CB 4.27Å; F227-A233 HydrophobicContact CG-CB 3.4Å; F227-A233 VanDerWaalsContact CG-CB 3.4Å; F227-A233 HydrophobicContact CZ-CB 4.41Å; D229-A233 PolarHBondContact O-N 2.95Å; L230-A233 WeakPolarHBondContact O-CB 3.34Å; L230-A233 PolarHBondContact O-N 2.92Å; D231-A233 VanDerWaalsContact C-N 3.3Å; D231-A233 PolarHBondContact O-N 3.42Å; A233-L235 VanDerWaalsContact C-N 3.34Å; A233-L235 PolarHBondContact O-N 3.11Å; A233-L236 PolarHBondContact O-N 3.47Å; A233-S237 WeakPolarHBondContact O-CB 3.29Å; A233-S237 PolarHBondContact O-N 3.45Å; A233-S237 PolarHBondContact O-OG 2.9Å |
| 234 | K | 91.6 | Very high | 85.9 | Confident | 85 Ų | 85 | 65 Ų | 65 | 37% | 0.37 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 174.8 | -72 | 170.3 | -168 | 152 | 0 | 111.7 | L230 D231 T232 S237 A238 P309 | L230-K234 WeakPolarHBondContact O-CG 3.49Å; L230-K234 PolarHBondContact O-N 2.97Å; D231-K234 PolarHBondContact O-N 3.4Å; D231-K234 IonicContact OD1-NZ 3.2Å; D231-K234 PolarHBondContact OD1-NZ 3.49Å; T232-K234 PolarHBondContact O-N 3.44Å; K234-S237 WeakPolarHBondContact CA-OG 3.42Å; K234-S237 PolarHBondContact O-N 3.38Å; K234-S237 PolarHBondContact O-OG 3.38Å; K234-A238 WeakPolarHBondContact O-CB 3.14Å; K234-A238 PolarHBondContact O-N 2.95Å; K234-P309 HydrophobicContact CB-CB 4.38Å |
| 235 | L | 93.5 | Very high | 87.7 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 13% | 0.126 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.8 | -50.2 | 178 | -69.7 | 168.3 | 0 | 0 | 0 | 111.9 | D231 T232 A233 S237 A238 G239 I240 V305 P309 L310 | D231-L235 WeakPolarHBondContact O-CG 3.22Å; D231-L235 PolarHBondContact O-N 2.88Å; T232-L235 WeakPolarHBondContact O-CB 3.18Å; T232-L235 PolarHBondContact O-N 3.24Å; A233-L235 VanDerWaalsContact C-N 3.34Å; A233-L235 PolarHBondContact O-N 3.11Å; L235-S237 VanDerWaalsContact C-N 3.29Å; L235-S237 PolarHBondContact O-N 3.38Å; L235-A238 CarbonylContact O-C 3.48Å; L235-A238 WeakPolarHBondContact O-CA 3.49Å; L235-A238 WeakPolarHBondContact O-CB 3.43Å; L235-A238 PolarHBondContact O-N 2.64Å; L235-G239 PolarHBondContact O-N 3.02Å; L235-G239 VanDerWaalsContact O-N 3.16Å; L235-I240 CarbonylContact C-O 3.45Å; L235-I240 HydrophobicContact CB-CB 4.33Å; L235-I240 HydrophobicContact CD2-CB 4.22Å; L235-I240 HydrophobicContact CD2-CD1 4.33Å; L235-I240 HydrophobicContact CD2-CG2 4.07Å; L235-I240 PolarHBondContact O-N 3.03Å; L235-V305 HydrophobicContact CD2-CG1 3.45Å; L235-V305 VanDerWaalsContact CD2-CG1 3.45Å; L235-P309 HydrophobicContact CD2-CB 4.2Å; L235-P309 HydrophobicContact CD2-CG 3.79Å; L235-P309 HydrophobicContact CG-CB 4.07Å; L235-P309 HydrophobicContact CG-CG 4.16Å; L235-L310 HydrophobicContact CD1-CD2 3.66Å; L235-L310 HydrophobicContact CD1-CG 4.16Å; L235-L310 HydrophobicContact CD2-CD1 4.08Å; L235-L310 HydrophobicContact CD2-CD2 4.4Å; L235-L310 HydrophobicContact CD2-CG 3.99Å |
| 236 | L | 92.4 | Very high | 89.3 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 20% | 0.204 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 179.3 | -63.2 | 173.3 | 0 | 0 | 0 | 111.9 | P218 I219 T232 A233 A238 G239 F241 | P218-L236 WeakPolarHBondContact CA-O 3.23Å; I219-L236 HydrophobicContact CB-CB 4.27Å; I219-L236 HydrophobicContact CD1-CB 3.75Å; I219-L236 HydrophobicContact CD1-CD1 3.78Å; I219-L236 HydrophobicContact CD1-CD2 4.48Å; I219-L236 HydrophobicContact CD1-CG 4.21Å; I219-L236 HydrophobicContact CG1-CB 4.04Å; I219-L236 PolarHBondContact N-O 3.03Å; I219-L236 VanDerWaalsContact N-O 3.1Å; T232-L236 HydrophobicContact CG2-CD1 3.91Å; T232-L236 HydrophobicContact CG2-CG 4.32Å; T232-L236 WeakPolarHBondContact O-CG 3.35Å; T232-L236 PolarHBondContact O-N 2.95Å; A233-L236 PolarHBondContact O-N 3.47Å; L236-A238 VanDerWaalsContact C-N 3.29Å; L236-A238 PolarHBondContact O-N 3.25Å; L236-G239 PolarHBondContact O-N 2.83Å; L236-G239 VanDerWaalsContact O-N 3.1Å; L236-F241 HydrophobicContact CD2-CD1 3.46Å; L236-F241 VanDerWaalsContact CD2-CD1 3.46Å; L236-F241 HydrophobicContact CD2-CE1 3.8Å; L236-F241 HydrophobicContact CD2-CG 4.42Å |
| 237 | S | 90.7 | Very high | 90.8 | Very high | 45 Ų | 45 | 54.6 Ų | 54.6 | 32% | 0.315 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.8 | -25.7 | 174.2 | 79.1 | 0 | 0 | 0 | 0 | 113.7 | P218 I219 A233 K234 L235 | P218-S237 WeakPolarHBondContact CB-O 3.42Å; I219-S237 VanDerWaalsContact O-CA 3.31Å; I219-S237 WeakPolarHBondContact O-CA 3.18Å; I219-S237 WeakPolarHBondContact O-CB 3.42Å; A233-S237 WeakPolarHBondContact O-CB 3.29Å; A233-S237 PolarHBondContact O-N 3.45Å; A233-S237 PolarHBondContact O-OG 2.9Å; K234-S237 WeakPolarHBondContact CA-OG 3.42Å; K234-S237 PolarHBondContact O-N 3.38Å; K234-S237 PolarHBondContact O-OG 3.38Å; L235-S237 VanDerWaalsContact C-N 3.29Å; L235-S237 PolarHBondContact O-N 3.38Å |
| 238 | A | 91.7 | Very high | 92.2 | Very high | 33 Ų | 33 | 51.2 Ų | 51.2 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -1.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K234 L235 L236 I240 K301 | K234-A238 WeakPolarHBondContact O-CB 3.14Å; K234-A238 PolarHBondContact O-N 2.95Å; L235-A238 CarbonylContact O-C 3.48Å; L235-A238 WeakPolarHBondContact O-CA 3.49Å; L235-A238 WeakPolarHBondContact O-CB 3.43Å; L235-A238 PolarHBondContact O-N 2.64Å; L236-A238 VanDerWaalsContact C-N 3.29Å; L236-A238 PolarHBondContact O-N 3.25Å; A238-I240 HydrophobicContact CB-CD1 4.1Å; A238-I240 HydrophobicContact CB-CG1 4.19Å; A238-K301 VanDerWaalsContact O-CE 3.27Å; A238-K301 WeakPolarHBondContact O-CE 3.47Å; A238-K301 PolarHBondContact O-NZ 2.83Å |
| 239 | G | 92.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71 | 38.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L235 L236 F241 H245 | L235-G239 PolarHBondContact O-N 3.02Å; L235-G239 VanDerWaalsContact O-N 3.16Å; L236-G239 PolarHBondContact O-N 2.83Å; L236-G239 VanDerWaalsContact O-N 3.1Å; G239-F241 VanDerWaalsContact C-CE2 3.48Å; G239-H245 PolarHBondContact O-CD2 2.85Å |
| 240 | I | 94.9 | Very high | 93.9 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.036 | 21% | 0.212 | C | C | . | . | trans | -118.6 | 108.9 | -179.6 | -57.3 | 178.6 | 0 | 0 | 0 | 107.5 | L235 A238 H245 L246 M249 V305 | L235-I240 CarbonylContact C-O 3.45Å; L235-I240 HydrophobicContact CB-CB 4.33Å; L235-I240 HydrophobicContact CD2-CB 4.22Å; L235-I240 HydrophobicContact CD2-CD1 4.33Å; L235-I240 HydrophobicContact CD2-CG2 4.07Å; L235-I240 PolarHBondContact O-N 3.03Å; A238-I240 HydrophobicContact CB-CD1 4.1Å; A238-I240 HydrophobicContact CB-CG1 4.19Å; I240-H245 HydrophobicContact CG2-CB 4.09Å; I240-L246 HydrophobicContact CD1-CD2 4.41Å; I240-L246 HydrophobicContact CG2-CD2 4.21Å; I240-L246 HydrophobicContact CG2-CG 4.46Å; I240-M249 HydrophobicContact CD1-CE 3.77Å; I240-M249 HydrophobicContact CG1-CE 3.81Å; I240-V305 HydrophobicContact CD1-CB 3.98Å; I240-V305 HydrophobicContact CD1-CG1 3.61Å; I240-V305 HydrophobicContact CD1-CG2 3.33Å | ||
| 241 | F | 93.4 | Very high | 94.4 | Very high | 60 Ų | 60 | 35.6 Ų | 35.6 | 26% | 0.263 | 19% | 0.194 | S | C | . | . | trans | -110.5 | -13.6 | -171.8 | -56.2 | -85.5 | 0 | 0 | 0 | 113 | R216 L236 G239 H245 | R216-F241 HydrophobicContact CB-CD2 3.96Å; R216-F241 HydrophobicContact CB-CE2 3.43Å; R216-F241 VanDerWaalsContact CB-CE2 3.43Å; R216-F241 HydrophobicContact CB-CZ 3.79Å; R216-F241 HydrophobicContact CG-CD2 4.47Å; R216-F241 HydrophobicContact CG-CE2 4.39Å; L236-F241 HydrophobicContact CD2-CD1 3.46Å; L236-F241 VanDerWaalsContact CD2-CD1 3.46Å; L236-F241 HydrophobicContact CD2-CE1 3.8Å; L236-F241 HydrophobicContact CD2-CG 4.42Å; G239-F241 VanDerWaalsContact C-CE2 3.48Å; F241-H245 AromaticContact CD2-CE1 3.84Å; F241-H245 AromaticContact CD2-NE2 3.57Å | ||
| 242 | S | 94.1 | Very high | 94.8 | Very high | 38 Ų | 38 | 32.9 Ų | 32.9 | 27% | 0.266 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -158.9 | 164.3 | -178.5 | 60.3 | 0 | 0 | 0 | 0 | 111.3 | I244 H245 | S242-I244 PolarHBondContact O-N 3.43Å; S242-H245 PolarHBondContact N-ND1 3.08Å; S242-H245 WeakPolarHBondContact O-CB 3.41Å; S242-H245 PolarHBondContact O-N 3.39Å; S242-H245 VanDerWaalsContact O-N 3.08Å; S242-H245 PolarHBondContact OG-ND1 3.37Å |
| 243 | D | 95.3 | Very high | 95.2 | Very high | 101 Ų | 101 | 29.5 Ų | 29.5 | 54% | 0.54 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -52.3 | -33.7 | 165.1 | 48 | -4.6 | 0 | 0 | 0 | 113.3 | H245 L246 L247 W315 | D243-H245 PolarHBondContact O-N 3.44Å; D243-L246 WeakPolarHBondContact O-CB 2.91Å; D243-L246 PolarHBondContact O-N 2.81Å; D243-L247 PolarHBondContact O-N 3.02Å; D243-W315 HydrophobicContact CB-CH2 4.14Å; D243-W315 HydrophobicContact CB-CZ2 3.79Å |
| 244 | I | 96.3 | Very high | 95.6 | Very high | 57 Ų | 57 | 30.7 Ų | 30.7 | 29% | 0.292 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -57.7 | -35.5 | 174.5 | -54.1 | -177.7 | 0 | 0 | 0 | 111.7 | W171 M212 S242 L246 L247 A248 | W171-I244 HydrophobicContact CD2-CG2 3.26Å; W171-I244 HydrophobicContact CE3-CG2 3.59Å; W171-I244 HydrophobicContact CG-CG2 3.68Å; W171-I244 HydrophobicContact CH2-CG2 4.08Å; W171-I244 HydrophobicContact CZ2-CG2 3.78Å; W171-I244 HydrophobicContact CZ3-CG2 3.99Å; M212-I244 HydrophobicContact CE-CB 4.1Å; M212-I244 HydrophobicContact CE-CG2 3.44Å; M212-I244 VanDerWaalsContact CE-CG2 3.44Å; S242-I244 PolarHBondContact O-N 3.43Å; I244-L246 VanDerWaalsContact C-N 3.29Å; I244-L246 PolarHBondContact O-N 3.13Å; I244-L247 PolarHBondContact O-N 3.21Å; I244-A248 WeakPolarHBondContact O-CB 3.32Å; I244-A248 PolarHBondContact O-N 3.11Å |
| 245 | H | 96.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.8 | -36.7 | 175.9 | -70.7 | 74.3 | 0 | 0 | 0 | 111.7 | E167 L213 G239 I240 F241 S242 D243 A248 M249 | E167-H245 IonicContact OE1-CE1 3.6Å; E167-H245 PolarHBondContact OE1-CE1 3.18Å; E167-H245 IonicContact OE1-ND1 2.99Å; E167-H245 IonicContact OE1-NE2 2.78Å; L213-H245 HydrophobicContact CD2-CB 4Å; G239-H245 PolarHBondContact O-CD2 2.85Å; I240-H245 HydrophobicContact CG2-CB 4.09Å; F241-H245 AromaticContact CD2-CE1 3.84Å; F241-H245 AromaticContact CD2-NE2 3.57Å; S242-H245 PolarHBondContact N-ND1 3.08Å; S242-H245 WeakPolarHBondContact O-CB 3.41Å; S242-H245 PolarHBondContact O-N 3.39Å; S242-H245 VanDerWaalsContact O-N 3.08Å; S242-H245 PolarHBondContact OG-ND1 3.37Å; D243-H245 PolarHBondContact O-N 3.44Å; H245-A248 PolarHBondContact O-N 3.37Å; H245-M249 VanDerWaalsContact O-CG 3.3Å; H245-M249 WeakPolarHBondContact O-CG 3.31Å; H245-M249 PolarHBondContact O-N 2.82Å |
| 246 | L | 97.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.9 | -41.3 | 177.8 | -58.3 | 171 | 0 | 0 | 0 | 110.8 | I240 D243 I244 M249 M250 Y302 V305 L310 W315 | I240-L246 HydrophobicContact CD1-CD2 4.41Å; I240-L246 HydrophobicContact CG2-CD2 4.21Å; I240-L246 HydrophobicContact CG2-CG 4.46Å; D243-L246 WeakPolarHBondContact O-CB 2.91Å; D243-L246 PolarHBondContact O-N 2.81Å; I244-L246 VanDerWaalsContact C-N 3.29Å; I244-L246 PolarHBondContact O-N 3.13Å; L246-M249 PolarHBondContact O-N 2.93Å; L246-M250 PolarHBondContact O-N 3.35Å; L246-Y302 HydrophobicContact CB-CD2 4.36Å; L246-Y302 HydrophobicContact CB-CE2 4.11Å; L246-V305 HydrophobicContact CD2-CB 4.46Å; L246-V305 HydrophobicContact CD2-CG1 3.81Å; L246-L310 HydrophobicContact CD1-CD1 3.32Å; L246-L310 HydrophobicContact CD2-CD1 4.15Å; L246-L310 HydrophobicContact CG-CD1 4.32Å; L246-W315 HydrophobicContact CB-CE3 4.44Å; L246-W315 HydrophobicContact CB-CH2 4.08Å; L246-W315 HydrophobicContact CB-CZ2 4.37Å; L246-W315 HydrophobicContact CB-CZ3 4.13Å; L246-W315 HydrophobicContact CD1-CD2 3.89Å; L246-W315 VanDerWaalsContact CD1-CE2 3.42Å; L246-W315 HydrophobicContact CD1-CE3 4.43Å; L246-W315 HydrophobicContact CD1-CG 4.38Å; L246-W315 HydrophobicContact CD1-CH2 4.16Å; L246-W315 HydrophobicContact CD1-CZ2 3.6Å |
| 247 | L | 98.1 | Very high | 96.3 | Very high | 57 Ų | 57 | 26 Ų | 26 | 30% | 0.298 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61 | -44.5 | 173 | -65.8 | 176 | 0 | 0 | 0 | 111.2 | W171 D243 I244 M249 M250 Y251 W315 | W171-L247 HydrophobicContact CH2-CB 3.6Å; W171-L247 HydrophobicContact CH2-CD1 4.35Å; W171-L247 HydrophobicContact CZ2-CB 4.43Å; W171-L247 HydrophobicContact CZ2-CD1 4.41Å; W171-L247 HydrophobicContact CZ3-CB 4.22Å; D243-L247 PolarHBondContact O-N 3.02Å; I244-L247 PolarHBondContact O-N 3.21Å; L247-M249 VanDerWaalsContact C-N 3.31Å; L247-M249 PolarHBondContact O-N 2.86Å; L247-M250 PolarHBondContact O-N 3.22Å; L247-Y251 WeakPolarHBondContact O-CB 3.3Å; L247-Y251 WeakPolarHBondContact O-CD1 3.39Å; L247-Y251 VanDerWaalsContact O-CG 3.3Å; L247-Y251 PolarHBondContact O-N 3.35Å; L247-W315 HydrophobicContact CD2-CH2 4.28Å; L247-W315 HydrophobicContact CD2-CZ3 4.08Å; L247-W315 HydrophobicContact CG-CH2 4.34Å |
| 248 | A | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.5 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | W171 L209 M212 L213 I244 H245 S252 | W171-A248 HydrophobicContact CE3-CB 4.01Å; W171-A248 HydrophobicContact CZ3-CB 3.75Å; L209-A248 HydrophobicContact CD2-CB 4.08Å; M212-A248 HydrophobicContact SD-CB 3.92Å; L213-A248 HydrophobicContact CD1-CB 4.5Å; L213-A248 HydrophobicContact CD2-CB 4.07Å; L213-A248 HydrophobicContact CG-CB 4.21Å; I244-A248 WeakPolarHBondContact O-CB 3.32Å; I244-A248 PolarHBondContact O-N 3.11Å; H245-A248 PolarHBondContact O-N 3.37Å; A248-S252 VanDerWaalsContact O-CB 3.23Å; A248-S252 WeakPolarHBondContact O-CB 3.5Å; A248-S252 PolarHBondContact O-N 3.46Å; A248-S252 PolarHBondContact O-OG 3.37Å |
| 249 | M | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.2 | -45.6 | 174.5 | -67.9 | -176.5 | -157.9 | 0 | 0 | 112.1 | L213 I240 H245 L246 L247 G253 I298 K301 Y302 | L213-M249 HydrophobicContact CD1-CG 4.1Å; L213-M249 HydrophobicContact CD2-CE 4.14Å; L213-M249 HydrophobicContact CD2-CG 4.35Å; I240-M249 HydrophobicContact CD1-CE 3.77Å; I240-M249 HydrophobicContact CG1-CE 3.81Å; H245-M249 VanDerWaalsContact O-CG 3.3Å; H245-M249 WeakPolarHBondContact O-CG 3.31Å; H245-M249 PolarHBondContact O-N 2.82Å; L246-M249 PolarHBondContact O-N 2.93Å; L247-M249 VanDerWaalsContact C-N 3.31Å; L247-M249 PolarHBondContact O-N 2.86Å; M249-G253 PolarHBondContact O-N 3.16Å; M249-I298 HydrophobicContact CB-CD1 4.41Å; M249-I298 HydrophobicContact CB-CG1 3.85Å; M249-I298 HydrophobicContact CG-CD1 3.81Å; M249-I298 HydrophobicContact CG-CG1 3.81Å; M249-K301 HydrophobicContact CE-CD 3.9Å; M249-K301 HydrophobicContact CE-CG 4.38Å; M249-K301 HydrophobicContact SD-CB 4.36Å; M249-K301 HydrophobicContact SD-CD 4.07Å; M249-K301 HydrophobicContact SD-CG 4.05Å; M249-Y302 HydrophobicContact CB-CD2 4.18Å |
| 250 | M | 98.4 | Very high | 96.5 | Very high | 17 Ų | 17 | 23.3 Ų | 23.3 | 8% | 0.084 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.3 | -49.7 | 179.3 | -172.2 | 65 | -121.3 | 0 | 0 | 111.3 | L246 L247 S252 G253 E254 L299 Y302 N319 A320 I323 | L246-M250 PolarHBondContact O-N 3.35Å; L247-M250 PolarHBondContact O-N 3.22Å; M250-S252 VanDerWaalsContact C-N 3.34Å; M250-S252 PolarHBondContact O-N 3.34Å; M250-G253 PolarHBondContact O-N 3.19Å; M250-G253 VanDerWaalsContact O-N 3.1Å; M250-E254 HydrophobicContact CE-CG 3.52Å; M250-E254 PolarHBondContact O-N 2.96Å; M250-L299 HydrophobicContact CE-CD2 4.1Å; M250-L299 HydrophobicContact SD-CD2 4.17Å; M250-Y302 HydrophobicContact CB-CD2 4.49Å; M250-Y302 HydrophobicContact CB-CE2 4.22Å; M250-Y302 HydrophobicContact SD-CE1 4.16Å; M250-N319 HydrophobicContact CE-CB 4.4Å; M250-N319 WeakPolarHBondContact CE-ND2 3.46Å; M250-A320 HydrophobicContact SD-CB 4.02Å; M250-I323 HydrophobicContact CE-CD1 3.79Å |
| 251 | Y | 98.6 | Very high | 96.3 | Very high | 47 Ų | 47 | 27 Ų | 27 | 18% | 0.184 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 178.4 | -72 | 4.1 | 0 | 0 | 0 | 111.4 | W171 A175 Y178 L247 G253 E254 M255 | W171-Y251 AromaticContact CH2-CD2 3.81Å; W171-Y251 HydrophobicContact CH2-CD2 3.81Å; W171-Y251 AromaticContact CH2-CE2 3.65Å; W171-Y251 HydrophobicContact CH2-CE2 3.65Å; W171-Y251 HydrophobicContact CZ2-CE2 4.36Å; W171-Y251 HydrophobicContact CZ3-CD2 4.11Å; W171-Y251 HydrophobicContact CZ3-CE2 4.41Å; A175-Y251 HydrophobicContact CB-CE2 4.44Å; Y178-Y251 AromaticContact CD1-CD1 3.86Å; Y178-Y251 HydrophobicContact CD1-CD1 3.86Å; Y178-Y251 AromaticContact CD1-CD2 3.54Å; Y178-Y251 HydrophobicContact CD1-CD2 3.54Å; Y178-Y251 AromaticContact CD1-CE1 3.87Å; Y178-Y251 HydrophobicContact CD1-CE1 3.87Å; Y178-Y251 AromaticContact CD1-CE2 3.53Å; Y178-Y251 HydrophobicContact CD1-CE2 3.53Å; Y178-Y251 AromaticContact CD1-CG 3.71Å; Y178-Y251 HydrophobicContact CD1-CG 3.71Å; Y178-Y251 AromaticContact CD1-CZ 3.69Å; Y178-Y251 AromaticContact CD2-CD1 3.94Å; Y178-Y251 HydrophobicContact CD2-CD1 3.94Å; Y178-Y251 HydrophobicContact CD2-CD2 4.14Å; Y178-Y251 AromaticContact CD2-CG 3.62Å; Y178-Y251 HydrophobicContact CD2-CG 3.62Å; Y178-Y251 AromaticContact CE1-CD1 3.57Å; Y178-Y251 HydrophobicContact CE1-CD1 3.57Å; Y178-Y251 HydrophobicContact CE1-CD2 4.1Å; Y178-Y251 AromaticContact CE1-CE1 3.37Å; Y178-Y251 HydrophobicContact CE1-CE1 3.37Å; Y178-Y251 AromaticContact CE1-CE2 3.91Å; Y178-Y251 HydrophobicContact CE1-CE2 3.91Å; Y178-Y251 AromaticContact CE1-CG 3.93Å; Y178-Y251 HydrophobicContact CE1-CG 3.93Å; Y178-Y251 AromaticContact CE1-CZ 3.55Å; Y178-Y251 AromaticContact CE2-CD1 3.65Å; Y178-Y251 HydrophobicContact CE2-CD1 3.65Å; Y178-Y251 HydrophobicContact CE2-CE1 4.29Å; Y178-Y251 AromaticContact CE2-CG 3.85Å; Y178-Y251 HydrophobicContact CE2-CG 3.85Å; Y178-Y251 HydrophobicContact CG-CD1 4.05Å; Y178-Y251 AromaticContact CG-CD2 3.58Å; Y178-Y251 HydrophobicContact CG-CD2 3.58Å; Y178-Y251 HydrophobicContact CG-CE2 4.07Å; Y178-Y251 AromaticContact CG-CG 3.56Å; Y178-Y251 HydrophobicContact CG-CG 3.56Å; Y178-Y251 AromaticContact CZ-CD1 3.46Å; Y178-Y251 VanDerWaalsContact CZ-CD1 3.46Å; Y178-Y251 AromaticContact CZ-CE1 3.63Å; L247-Y251 WeakPolarHBondContact O-CB 3.3Å; L247-Y251 WeakPolarHBondContact O-CD1 3.39Å; L247-Y251 VanDerWaalsContact O-CG 3.3Å; L247-Y251 PolarHBondContact O-N 3.35Å; Y251-G253 VanDerWaalsContact C-N 3.31Å; Y251-G253 PolarHBondContact O-N 3.4Å; Y251-E254 PolarHBondContact O-N 3.38Å; Y251-M255 WeakPolarHBondContact O-CB 3.44Å; Y251-M255 VanDerWaalsContact O-CG 3.29Å; Y251-M255 WeakPolarHBondContact O-CG 3.47Å; Y251-M255 PolarHBondContact O-N 2.94Å |
| 252 | S | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 175.1 | -61 | 0 | 0 | 0 | 0 | 111.5 | L209 A248 M250 M255 C256 | L209-S252 VanDerWaalsContact CB-OG 3.23Å; L209-S252 WeakPolarHBondContact CB-OG 3.49Å; L209-S252 WeakPolarHBondContact CD1-OG 2.98Å; A248-S252 VanDerWaalsContact O-CB 3.23Å; A248-S252 WeakPolarHBondContact O-CB 3.5Å; A248-S252 PolarHBondContact O-N 3.46Å; A248-S252 PolarHBondContact O-OG 3.37Å; M250-S252 VanDerWaalsContact C-N 3.34Å; M250-S252 PolarHBondContact O-N 3.34Å; S252-M255 PolarHBondContact O-N 2.71Å; S252-C256 WeakPolarHBondContact O-CB 3.49Å; S252-C256 PolarHBondContact O-N 2.92Å; S252-C256 PolarHBondContact O-SG 3.31Å |
| 253 | G | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | M249 M250 Y251 C256 Y257 | M249-G253 PolarHBondContact O-N 3.16Å; M250-G253 PolarHBondContact O-N 3.19Å; M250-G253 VanDerWaalsContact O-N 3.1Å; Y251-G253 VanDerWaalsContact C-N 3.31Å; Y251-G253 PolarHBondContact O-N 3.4Å; G253-C256 WeakPolarHBondContact O-CB 3.41Å; G253-C256 PolarHBondContact O-N 3.05Å; G253-Y257 PolarHBondContact O-N 3.34Å |
| 254 | E | 98.1 | Very high | 94.3 | Very high | 26 Ų | 26 | 24 Ų | 24 | 12% | 0.121 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.1 | -42 | 175 | -89.3 | 178.8 | 125.5 | 0 | 0 | 112.9 | Y178 M250 Y251 C256 Y257 W258 N319 I323 | Y178-E254 HydrophobicContact CE2-CB 3.98Å; Y178-E254 PolarHBondContact OH-OE2 2.94Å; Y178-E254 VanDerWaalsContact OH-OE2 3.09Å; M250-E254 HydrophobicContact CE-CG 3.52Å; M250-E254 PolarHBondContact O-N 2.96Å; Y251-E254 PolarHBondContact O-N 3.38Å; E254-C256 VanDerWaalsContact C-N 3.3Å; E254-C256 PolarHBondContact O-N 3.42Å; E254-Y257 WeakPolarHBondContact O-CB 3.29Å; E254-Y257 PolarHBondContact O-N 3.21Å; E254-Y257 VanDerWaalsContact O-N 3.12Å; E254-W258 HydrophobicContact CB-CH2 4.3Å; E254-W258 HydrophobicContact CB-CZ2 4.19Å; E254-W258 PolarHBondContact O-N 3.07Å; E254-N319 VanDerWaalsContact CD-ND2 3.29Å; E254-N319 PolarHBondContact OE1-ND2 3.28Å; E254-I323 HydrophobicContact CB-CD1 4.47Å; E254-I323 HydrophobicContact CG-CD1 3.47Å; E254-I323 VanDerWaalsContact CG-CD1 3.47Å |
| 255 | M | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 174.6 | -68.8 | 176.8 | 83.6 | 0 | 0 | 111.5 | L177 Y178 L202 I206 L209 Y251 S252 Y257 W258 G259 | L177-M255 HydrophobicContact CB-CE 4.29Å; Y178-M255 HydrophobicContact CD2-CG 3.87Å; Y178-M255 HydrophobicContact CD2-SD 4.11Å; Y178-M255 HydrophobicContact CG-SD 4.49Å; L202-M255 HydrophobicContact CD2-CB 3.82Å; L202-M255 HydrophobicContact CD2-CE 4.02Å; L202-M255 HydrophobicContact CD2-CG 4Å; I206-M255 HydrophobicContact CD1-CB 3.95Å; I206-M255 HydrophobicContact CG1-CB 3.71Å; L209-M255 HydrophobicContact CD1-SD 4.2Å; Y251-M255 WeakPolarHBondContact O-CB 3.44Å; Y251-M255 VanDerWaalsContact O-CG 3.29Å; Y251-M255 WeakPolarHBondContact O-CG 3.47Å; Y251-M255 PolarHBondContact O-N 2.94Å; S252-M255 PolarHBondContact O-N 2.71Å; M255-Y257 VanDerWaalsContact C-N 3.33Å; M255-Y257 PolarHBondContact O-N 2.88Å; M255-W258 HydrophobicContact CG-CE3 4.04Å; M255-W258 HydrophobicContact CG-CZ3 3.94Å; M255-W258 PolarHBondContact O-N 3.12Å; M255-G259 PolarHBondContact O-N 3.49Å |
| 256 | C | 97.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 171.8 | -75.4 | 0 | 0 | 0 | 0 | 112.4 | S252 G253 E254 G259 S260 F291 F327 | S252-C256 WeakPolarHBondContact O-CB 3.49Å; S252-C256 PolarHBondContact O-N 2.92Å; S252-C256 PolarHBondContact O-SG 3.31Å; G253-C256 WeakPolarHBondContact O-CB 3.41Å; G253-C256 PolarHBondContact O-N 3.05Å; E254-C256 VanDerWaalsContact C-N 3.3Å; E254-C256 PolarHBondContact O-N 3.42Å; C256-G259 PolarHBondContact O-N 3.44Å; C256-S260 WeakPolarHBondContact O-CB 3.24Å; C256-S260 PolarHBondContact O-N 2.86Å; C256-S260 PolarHBondContact O-OG 3.42Å; C256-F291 HydrophobicContact CB-CB 4.41Å; C256-F291 WeakPolarHBondContact CB-O 3.49Å; C256-F291 WeakPolarHBondContact O-CB 3.3Å; C256-F291 PolarHBondContact SG-O 3.42Å; C256-F291 VanDerWaalsContact SG-O 3.34Å; C256-F327 HydrophobicContact CB-CZ 4.08Å |
| 257 | Y | 96.3 | Very high | 88.2 | Confident | 50 Ų | 50 | 39.1 Ų | 39.1 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.5 | -47.6 | 174.5 | 166.1 | -115.1 | 0 | 0 | 0 | 111.8 | G253 E254 M255 G259 S260 K261 I323 F326 | G253-Y257 PolarHBondContact O-N 3.34Å; E254-Y257 WeakPolarHBondContact O-CB 3.29Å; E254-Y257 PolarHBondContact O-N 3.21Å; E254-Y257 VanDerWaalsContact O-N 3.12Å; M255-Y257 VanDerWaalsContact C-N 3.33Å; M255-Y257 PolarHBondContact O-N 2.88Å; Y257-G259 PolarHBondContact O-N 3.35Å; Y257-S260 PolarHBondContact O-N 3.11Å; Y257-K261 HydrophobicContact CE1-CD 4.21Å; Y257-K261 HydrophobicContact CE2-CB 4.48Å; Y257-K261 HydrophobicContact CE2-CD 4.05Å; Y257-K261 WeakPolarHBondContact O-CB 3.14Å; Y257-K261 PolarHBondContact O-N 2.91Å; Y257-K261 PolarHBondContact OH-NZ 3.13Å; Y257-K261 VanDerWaalsContact OH-NZ 3.1Å; Y257-I323 HydrophobicContact CD1-CG1 4.35Å; Y257-I323 HydrophobicContact CD2-CG2 4.43Å; Y257-I323 HydrophobicContact CG-CG1 4.11Å; Y257-I323 HydrophobicContact CG-CG2 4.24Å; Y257-F326 HydrophobicContact CD2-CB 4.44Å; Y257-F326 AromaticContact CD2-CD1 3.53Å; Y257-F326 HydrophobicContact CD2-CD1 3.53Å; Y257-F326 HydrophobicContact CD2-CD2 4.47Å; Y257-F326 AromaticContact CD2-CE1 3.8Å; Y257-F326 HydrophobicContact CD2-CE1 3.8Å; Y257-F326 AromaticContact CD2-CG 3.9Å; Y257-F326 HydrophobicContact CD2-CG 3.9Å; Y257-F326 HydrophobicContact CD2-CZ 4.38Å; Y257-F326 HydrophobicContact CE2-CB 4.27Å; Y257-F326 AromaticContact CE2-CD1 3.74Å; Y257-F326 HydrophobicContact CE2-CD1 3.74Å; Y257-F326 AromaticContact CE2-CD2 3.83Å; Y257-F326 HydrophobicContact CE2-CD2 3.83Å; Y257-F326 AromaticContact CE2-CE1 3.96Å; Y257-F326 HydrophobicContact CE2-CE1 3.96Å; Y257-F326 HydrophobicContact CE2-CE2 4.04Å; Y257-F326 AromaticContact CE2-CG 3.67Å; Y257-F326 HydrophobicContact CE2-CG 3.67Å; Y257-F326 HydrophobicContact CE2-CZ 4.1Å |
| 258 | W | 95.3 | Very high | 85.6 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 176.2 | -61.5 | -28.4 | 0 | 0 | 0 | 112 | Y178 C181 H182 T185 L202 E254 M255 S260 K261 Y262 | Y178-W258 AromaticContact CD2-CH2 3.96Å; Y178-W258 HydrophobicContact CD2-CH2 3.96Å; Y178-W258 AromaticContact CD2-CZ3 3.91Å; Y178-W258 HydrophobicContact CD2-CZ3 3.91Å; Y178-W258 AromaticContact CE2-CH2 3.42Å; Y178-W258 HydrophobicContact CE2-CH2 3.42Å; Y178-W258 VanDerWaalsContact CE2-CH2 3.42Å; Y178-W258 HydrophobicContact CE2-CZ2 4.41Å; Y178-W258 AromaticContact CE2-CZ3 3.85Å; Y178-W258 HydrophobicContact CE2-CZ3 3.85Å; Y178-W258 AromaticContact CZ-CH2 3.96Å; C181-W258 HydrophobicContact CB-CE3 4.14Å; C181-W258 HydrophobicContact CB-CZ3 4.06Å; H182-W258 HydrophobicContact CB-CH2 3.63Å; H182-W258 HydrophobicContact CB-CZ2 4.36Å; H182-W258 HydrophobicContact CB-CZ3 4.21Å; H182-W258 AromaticContact ND1-CH2 3.54Å; H182-W258 AromaticContact ND1-CZ2 3.49Å; H182-W258 WeakPolarHBondContact ND1-CZ2 3.48Å; T185-W258 HydrophobicContact CG2-CB 4.25Å; T185-W258 HydrophobicContact CG2-CD2 3.61Å; T185-W258 HydrophobicContact CG2-CE3 4.02Å; T185-W258 HydrophobicContact CG2-CG 3.7Å; L202-W258 HydrophobicContact CD1-CB 4.23Å; L202-W258 HydrophobicContact CD2-CB 4.22Å; L202-W258 HydrophobicContact CD2-CE3 3.96Å; E254-W258 HydrophobicContact CB-CH2 4.3Å; E254-W258 HydrophobicContact CB-CZ2 4.19Å; E254-W258 PolarHBondContact O-N 3.07Å; M255-W258 HydrophobicContact CG-CE3 4.04Å; M255-W258 HydrophobicContact CG-CZ3 3.94Å; M255-W258 PolarHBondContact O-N 3.12Å; W258-S260 PolarHBondContact O-N 3.34Å; W258-K261 PolarHBondContact O-N 3.41Å; W258-Y262 HydrophobicContact CB-CD2 3.97Å; W258-Y262 HydrophobicContact CB-CE2 4.19Å; W258-Y262 AromaticContact CD1-CE2 3.9Å; W258-Y262 HydrophobicContact CG-CE2 4.27Å; W258-Y262 WeakPolarHBondContact O-CB 3.49Å; W258-Y262 WeakPolarHBondContact O-CD2 3.45Å; W258-Y262 PolarHBondContact O-N 3.01Å |
| 259 | G | 93.5 | Very high | 83 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M255 C256 Y257 K261 C263 | M255-G259 PolarHBondContact O-N 3.49Å; C256-G259 PolarHBondContact O-N 3.44Å; Y257-G259 PolarHBondContact O-N 3.35Å; G259-K261 PolarHBondContact O-N 2.93Å; G259-C263 WeakPolarHBondContact O-CA 3.48Å; G259-C263 WeakPolarHBondContact O-CB 3.45Å; G259-C263 PolarHBondContact O-N 3.1Å |
| 260 | S | 91.9 | Very high | 80.1 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 8% | 0.077 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 174.7 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | C256 Y257 W258 A264 F291 R330 | C256-S260 WeakPolarHBondContact O-CB 3.24Å; C256-S260 PolarHBondContact O-N 2.86Å; C256-S260 PolarHBondContact O-OG 3.42Å; Y257-S260 PolarHBondContact O-N 3.11Å; W258-S260 PolarHBondContact O-N 3.34Å; S260-A264 WeakPolarHBondContact O-CB 3.32Å; S260-F291 WeakPolarHBondContact OG-CB 3.29Å; S260-R330 PolarHBondContact O-NH1 3.44Å; S260-R330 PolarHBondContact O-NH2 3.25Å |
| 261 | K | 90.4 | Very high | 77.3 | Confident | 84 Ų | 84 | 64.3 Ų | 64.3 | 37% | 0.365 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -71.6 | -40.2 | -174.5 | -175.8 | 173.7 | 179.4 | -178.8 | 0 | 113.4 | Y257 W258 G259 F326 | Y257-K261 HydrophobicContact CE1-CD 4.21Å; Y257-K261 HydrophobicContact CE2-CB 4.48Å; Y257-K261 HydrophobicContact CE2-CD 4.05Å; Y257-K261 WeakPolarHBondContact O-CB 3.14Å; Y257-K261 PolarHBondContact O-N 2.91Å; Y257-K261 PolarHBondContact OH-NZ 3.13Å; Y257-K261 VanDerWaalsContact OH-NZ 3.1Å; W258-K261 PolarHBondContact O-N 3.41Å; G259-K261 PolarHBondContact O-N 2.93Å; K261-F326 HydrophobicContact CB-CZ 4.3Å |
| 262 | Y | 88.7 | Confident | 74.2 | Confident | 79 Ų | 79 | 71.2 Ų | 71.2 | 31% | 0.31 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -110.5 | -16.9 | -168.9 | -57.2 | -63.9 | 0 | 0 | 0 | 114.4 | T185 L191 L198 W258 | T185-Y262 HydrophobicContact CG2-CE2 4.19Å; L191-Y262 HydrophobicContact CD1-CD1 4.2Å; L191-Y262 HydrophobicContact CD1-CE1 4.01Å; L198-Y262 HydrophobicContact CD2-CD2 4.47Å; W258-Y262 HydrophobicContact CB-CD2 3.97Å; W258-Y262 HydrophobicContact CB-CE2 4.19Å; W258-Y262 AromaticContact CD1-CE2 3.9Å; W258-Y262 HydrophobicContact CG-CE2 4.27Å; W258-Y262 WeakPolarHBondContact O-CB 3.49Å; W258-Y262 WeakPolarHBondContact O-CD2 3.45Å; W258-Y262 PolarHBondContact O-N 3.01Å |
| 263 | C | 84.6 | Confident | 71.5 | Confident | 4 Ų | 4 | 76.7 Ų | 76.7 | 3% | 0.027 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -117.3 | 2.5 | -173.1 | -51.8 | 0 | 0 | 0 | 0 | 114.4 | K199 G259 D265 F291 | K199-C263 HydrophobicContact CB-CB 4.13Å; K199-C263 HydrophobicContact CD-CB 4.1Å; K199-C263 HydrophobicContact CG-CB 4.05Å; G259-C263 WeakPolarHBondContact O-CA 3.48Å; G259-C263 WeakPolarHBondContact O-CB 3.45Å; G259-C263 PolarHBondContact O-N 3.1Å; C263-D265 VanDerWaalsContact C-N 3.31Å; C263-D265 PolarHBondContact O-N 3.31Å; C263-F291 HydrophobicContact CB-CE2 4.48Å |
| 264 | A | 66.8 | Low | 68.4 | Low | 54 Ų | 54 | 84.7 Ų | 84.7 | 45% | 0.446 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S260 R330 | S260-A264 WeakPolarHBondContact O-CB 3.32Å; A264-R330 VanDerWaalsContact CB-NH1 3.28Å |
| 265 | D | 60.3 | Low | 65.7 | Low | 159 Ų | 159 | 89.3 Ų | 89.3 | 85% | 0.85 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 5 | -176.4 | -60.6 | -36.1 | 0 | 0 | 0 | 113.8 | C263 Q267 | C263-D265 VanDerWaalsContact C-N 3.31Å; C263-D265 PolarHBondContact O-N 3.31Å; D265-Q267 PolarHBondContact O-N 2.89Å |
| 266 | Q | 56.7 | Low | 62.7 | Low | 52 Ų | 52 | 94.4 Ų | 94.4 | 24% | 0.243 | 50% | 0.498 | C | S | . | . | trans | -86.6 | 105.9 | -178.8 | -68.6 | 177.3 | 1.5 | 0 | 0 | 111 | S195 S196 | S195-Q266 PolarHBondContact O-NE2 3.36Å; S195-Q266 PolarHBondContact OG-NE2 2.96Å; S196-Q266 VanDerWaalsContact N-NE2 3.14Å | ||
| 267 | Q | 45.7 | Very low | 59.9 | Low | 168 Ų | 168 | 101.5 Ų | 101.5 | 79% | 0.785 | 54% | 0.541 | S | S | * | . | trans | -52.9 | 149.1 | 157.6 | -81.6 | -87 | -42.9 | 0 | 0 | 109.8 | D265 E269 | D265-Q267 PolarHBondContact O-N 2.89Å; Q267-E269 PolarHBondContact O-N 3.12Å | ||
| 268 | P | 43.9 | Very low | 57 | Low | 110 Ų | 110 | 104.9 Ų | 104.9 | 71% | 0.714 | 57% | 0.572 | S | S | * | * | trans | -58.9 | 112.7 | 175.3 | 23.7 | -31 | 0 | 0 | 0 | 109.2 | N270 | P268-N270 PolarHBondContact O-N 3.3Š| ||
| 269 | E | 43.4 | Very low | 54.1 | Low | 150 Ų | 150 | 107.5 Ų | 107.5 | 70% | 0.701 | 60% | 0.604 | S | S | * | * | trans | -63 | 125.6 | 171.6 | -73.6 | -176.5 | 167.3 | 0 | 0 | 108.3 | Q267 H271 | Q267-E269 PolarHBondContact O-N 3.12Å; E269-H271 PolarHBondContact O-N 2.87Å; E269-H271 VanDerWaalsContact O-N 3.14Å | ||
| 270 | N | 38.9 | Very low | 51.6 | Low | 160 Ų | 160 | 112.8 Ų | 112.8 | 86% | 0.856 | 65% | 0.648 | S | S | * | * | trans | -57.5 | 118 | 167.8 | -74.6 | -43.2 | 0 | 0 | 0 | 107.7 | P268 E272 | P268-N270 PolarHBondContact O-N 3.3Å; N270-E272 PolarHBondContact O-N 3.22Å; N270-E272 VanDerWaalsContact O-N 3.09Å | ||
| 271 | H | 37.7 | Very low | 48.7 | Very low | 182 Ų | 182 | 115.8 Ų | 115.8 | 84% | 0.843 | 68% | 0.68 | S | S | * | * | trans | -53.3 | 112.1 | 176.4 | -85.8 | -67.3 | 0 | 0 | 0 | 111.3 | E269 | E269-H271 PolarHBondContact O-N 2.87Å; E269-H271 VanDerWaalsContact O-N 3.14Å | ||
| 272 | E | 35.4 | Very low | 45.8 | Very low | 193 Ų | 193 | 117 Ų | 117 | 90% | 0.902 | 70% | 0.698 | S | S | * | * | trans | -87.3 | 122.3 | 146.5 | -76.3 | -170 | 167.5 | 0 | 0 | 108 | N270 D274 | N270-E272 PolarHBondContact O-N 3.22Å; N270-E272 VanDerWaalsContact O-N 3.09Å; E272-D274 PolarHBondContact O-N 3.41Å | ||
| 273 | V | 41.3 | Very low | 43.1 | Very low | 115 Ų | 115 | 120 Ų | 120 | 70% | 0.697 | 73% | 0.725 | S | S | * | * | trans | -71.7 | 110.3 | -178.8 | 172.2 | 0 | 0 | 0 | 0 | 108.2 | T275 | V273-T275 WeakPolarHBondContact CG1-OG1 3.5Š| ||
| 274 | D | 32.3 | Very low | 40.7 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | trans | -102.8 | 111.5 | 155 | -109.5 | -19.1 | 0 | 0 | 0 | 109.3 | E272 S276 | E272-D274 PolarHBondContact O-N 3.41Å; D274-S276 PolarHBondContact O-N 3.49Å | ||
| 275 | T | 40.9 | Very low | 39.2 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -77.9 | 112.7 | -177.4 | -59.3 | 0 | 0 | 0 | 0 | 108.7 | V273 | V273-T275 WeakPolarHBondContact CG1-OG1 3.5Š| ||
| 276 | S | 35.6 | Very low | 38.7 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -168.8 | 118.4 | 142.3 | 41.1 | 0 | 0 | 0 | 0 | 112.8 | D274 | D274-S276 PolarHBondContact O-N 3.49Š| ||
| 277 | V | 37.5 | Very low | 38.8 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | 63.9 | 77.4 | 164 | -163 | 0 | 0 | 0 | 0 | 116 | ||||
| 278 | S | 36.9 | Very low | 40.3 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -106.8 | 109.8 | 159.4 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 279 | G | 34.3 | Very low | 42.3 | Very low | 70 Ų | 70 | 133.1 Ų | 133.1 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -69.1 | 136.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 280 | A | 40.8 | Very low | 44.6 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 92% | 0.917 | 77% | 0.767 | S | S | * | * | trans | -58 | 133.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 281 | G | 30.3 | Very low | 47.2 | Very low | 73 Ų | 73 | 123.4 Ų | 123.4 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | trans | -170.2 | 97.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 282 | C | 29.2 | Very low | 49.9 | Very low | 110 Ų | 110 | 118.2 Ų | 118.2 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | trans | 29.9 | 103.1 | 158.7 | -156.1 | 0 | 0 | 0 | 0 | 118.2 | T284 | C282-T284 PolarHBondContact O-N 3.16Š| ||
| 283 | T | 31.9 | Very low | 52.7 | Low | 142 Ų | 142 | 115.4 Ų | 115.4 | 87% | 0.871 | 69% | 0.69 | S | S | * | * | trans | -68.7 | 73.6 | 162.2 | 52.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 284 | T | 34.4 | Very low | 55.3 | Low | 107 Ų | 107 | 111.3 Ų | 111.3 | 66% | 0.656 | 67% | 0.665 | S | S | * | * | trans | -82 | 120.1 | 154.9 | -8.3 | 0 | 0 | 0 | 0 | 105.1 | C282 K286 | C282-T284 PolarHBondContact O-N 3.16Å; T284-K286 PolarHBondContact O-N 2.78Å | ||
| 285 | H | 36.1 | Very low | 58.4 | Low | 193 Ų | 193 | 103.4 Ų | 103.4 | 89% | 0.894 | 62% | 0.623 | S | S | * | * | trans | -60.8 | 84.3 | 168 | -75.6 | -81.7 | 0 | 0 | 0 | 108 | E287 | H285-E287 PolarHBondContact O-N 3.33Š| ||
| 286 | K | 50.2 | Low | 61.1 | Low | 173 Ų | 173 | 98.7 Ų | 98.7 | 75% | 0.752 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 121.5 | 173.5 | -154.4 | 176.4 | -174.9 | -176.7 | 0 | 105 | T284 | T284-K286 PolarHBondContact O-N 2.78Š|
| 287 | E | 58 | Low | 64 | Low | 176 Ų | 176 | 101.1 Ų | 101.1 | 82% | 0.822 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 135.7 | 173.7 | -75.1 | 179.2 | 162.5 | 0 | 0 | 108.8 | H285 L289 | H285-E287 PolarHBondContact O-N 3.33Å; E287-L289 PolarHBondContact O-N 3.09Å |
| 288 | P | 76.2 | Confident | 66.9 | Low | 122 Ų | 122 | 94.9 Ų | 94.9 | 79% | 0.792 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 131.5 | 179.9 | 22.5 | -30.6 | 0 | 0 | 0 | 108.8 | D290 | P288-D290 PolarHBondContact O-N 2.8Å; P288-D290 VanDerWaalsContact O-N 3.13Å |
| 289 | L | 86.3 | Confident | 69.9 | Low | 52 Ų | 52 | 89.1 Ų | 89.1 | 27% | 0.272 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 119.8 | -179.9 | -177.8 | 146.2 | 0 | 0 | 0 | 109.7 | L203 I206 E287 F291 V294 | L203-L289 HydrophobicContact CD2-CB 3.7Å; L203-L289 HydrophobicContact CD2-CD2 3.99Å; L203-L289 HydrophobicContact CD2-CG 4.27Å; I206-L289 HydrophobicContact CB-CD1 4.39Å; I206-L289 HydrophobicContact CD1-CD2 4.29Å; I206-L289 HydrophobicContact CG2-CD1 3.69Å; E287-L289 PolarHBondContact O-N 3.09Å; L289-F291 HydrophobicContact CD2-CD1 3.64Å; L289-F291 HydrophobicContact CD2-CE1 4.06Å; L289-F291 HydrophobicContact CD2-CG 4.19Å; L289-F291 PolarHBondContact O-N 3.32Å; L289-V294 HydrophobicContact CD1-CG2 4.32Å; L289-V294 HydrophobicContact CD2-CG2 4.31Å; L289-V294 HydrophobicContact CG-CG2 3.99Å |
| 290 | D | 91.8 | Very high | 72.9 | Confident | 86 Ų | 86 | 90.5 Ų | 90.5 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | trans | -81.1 | 106.4 | 169.7 | -173 | -30.7 | 0 | 0 | 0 | 108.7 | P288 R292 E293 V294 | P288-D290 PolarHBondContact O-N 2.8Å; P288-D290 VanDerWaalsContact O-N 3.13Å; D290-R292 PolarHBondContact O-N 2.84Å; D290-R292 WeakPolarHBondContact OD1-CA 3.41Å; D290-R292 VanDerWaalsContact OD1-CB 3.29Å; D290-R292 WeakPolarHBondContact OD1-CB 3.49Å; D290-R292 PolarHBondContact OD1-N 3.35Å; D290-E293 HydrophobicContact CB-CB 3.94Å; D290-E293 PolarHBondContact O-N 3.3Å; D290-E293 PolarHBondContact OD1-N 3.07Å; D290-V294 WeakPolarHBondContact O-CB 3.43Å; D290-V294 WeakPolarHBondContact O-CG2 3.23Å; D290-V294 PolarHBondContact O-N 3.09Å; D290-V294 VanDerWaalsContact O-N 3.07Å | ||
| 291 | F | 94.3 | Very high | 75.6 | Confident | 19 Ų | 19 | 88.9 Ų | 88.9 | 8% | 0.083 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -54 | -39.4 | 179 | -71.8 | -61.6 | 0 | 0 | 0 | 111.8 | K199 L202 L203 I206 C256 S260 C263 L289 G295 | K199-F291 HydrophobicContact CG-CE2 4.3Å; K199-F291 HydrophobicContact CG-CZ 4.18Å; L202-F291 HydrophobicContact CB-CE1 4.06Å; L202-F291 HydrophobicContact CB-CZ 4.27Å; L203-F291 HydrophobicContact CD2-CE1 3.9Å; L203-F291 HydrophobicContact CD2-CZ 3.79Å; L203-F291 HydrophobicContact CG-CE1 4.36Å; L203-F291 HydrophobicContact CG-CZ 4.01Å; I206-F291 HydrophobicContact CD1-CD1 3.67Å; I206-F291 HydrophobicContact CD1-CE1 3.63Å; C256-F291 HydrophobicContact CB-CB 4.41Å; C256-F291 WeakPolarHBondContact CB-O 3.49Å; C256-F291 WeakPolarHBondContact O-CB 3.3Å; C256-F291 PolarHBondContact SG-O 3.42Å; C256-F291 VanDerWaalsContact SG-O 3.34Å; S260-F291 WeakPolarHBondContact OG-CB 3.29Å; C263-F291 HydrophobicContact CB-CE2 4.48Å; L289-F291 HydrophobicContact CD2-CD1 3.64Å; L289-F291 HydrophobicContact CD2-CE1 4.06Å; L289-F291 HydrophobicContact CD2-CG 4.19Å; L289-F291 PolarHBondContact O-N 3.32Å; F291-G295 WeakPolarHBondContact O-CA 3.48Å; F291-G295 PolarHBondContact O-N 3.41Å |
| 292 | R | 93.8 | Very high | 78.8 | Confident | 74 Ų | 74 | 85.8 Ų | 85.8 | 28% | 0.279 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -71.6 | -50 | -176.2 | -178.3 | -175.4 | 164.9 | -150.8 | -7.8 | 110.8 | D290 V294 G295 E296 F327 C331 | D290-R292 PolarHBondContact O-N 2.84Å; D290-R292 WeakPolarHBondContact OD1-CA 3.41Å; D290-R292 VanDerWaalsContact OD1-CB 3.29Å; D290-R292 WeakPolarHBondContact OD1-CB 3.49Å; D290-R292 PolarHBondContact OD1-N 3.35Å; R292-V294 VanDerWaalsContact C-N 3.34Å; R292-V294 PolarHBondContact O-N 3.23Å; R292-G295 PolarHBondContact O-N 2.84Å; R292-E296 HydrophobicContact CG-CG 4.39Å; R292-E296 IonicContact CZ-OE1 3.34Å; R292-E296 IonicContact NE-OE1 2.86Å; R292-E296 PolarHBondContact NE-OE1 3Å; R292-E296 IonicContact NH2-OE1 2.93Å; R292-E296 PolarHBondContact NH2-OE1 2.99Å; R292-E296 WeakPolarHBondContact O-CB 3.31Å; R292-E296 WeakPolarHBondContact O-CG 3.5Å; R292-E296 PolarHBondContact O-N 3.32Å; R292-F327 HydrophobicContact CB-CD1 4.36Å; R292-F327 HydrophobicContact CG-CB 3.92Å; R292-F327 HydrophobicContact CG-CD1 3.92Å; R292-F327 HydrophobicContact CG-CG 4Å; R292-F327 PolarHBondContact NE-O 3.17Å; R292-F327 VanDerWaalsContact NE-O 3.1Å; R292-C331 PolarHBondContact NH1-SG 3.03Å; R292-C331 PolarHBondContact NH2-SG 3.47Å |
| 293 | E | 94.8 | Very high | 82.1 | Confident | 133 Ų | 133 | 81.4 Ų | 81.4 | 62% | 0.621 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -58.7 | -48.8 | -179 | -171.5 | -168.7 | 156.2 | 0 | 0 | 110.9 | D290 E296 K297 | D290-E293 HydrophobicContact CB-CB 3.94Å; D290-E293 PolarHBondContact O-N 3.3Å; D290-E293 PolarHBondContact OD1-N 3.07Å; E293-E296 PolarHBondContact O-N 3.25Å; E293-K297 WeakPolarHBondContact O-CB 3.35Å; E293-K297 PolarHBondContact O-N 2.96Å |
| 294 | V | 96.1 | Very high | 85.2 | Confident | 30 Ų | 30 | 78.6 Ų | 78.6 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 178.7 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | I206 L210 L289 D290 R292 E296 K297 I298 | I206-V294 HydrophobicContact CG2-CG1 4.08Å; L210-V294 HydrophobicContact CD1-CG1 3.97Å; L210-V294 HydrophobicContact CD2-CG1 4.47Å; L289-V294 HydrophobicContact CD1-CG2 4.32Å; L289-V294 HydrophobicContact CD2-CG2 4.31Å; L289-V294 HydrophobicContact CG-CG2 3.99Å; D290-V294 WeakPolarHBondContact O-CB 3.43Å; D290-V294 WeakPolarHBondContact O-CG2 3.23Å; D290-V294 PolarHBondContact O-N 3.09Å; D290-V294 VanDerWaalsContact O-N 3.07Å; R292-V294 VanDerWaalsContact C-N 3.34Å; R292-V294 PolarHBondContact O-N 3.23Å; V294-E296 PolarHBondContact O-N 3.04Å; V294-K297 PolarHBondContact O-N 3.32Å; V294-I298 WeakPolarHBondContact O-CB 3.45Å; V294-I298 WeakPolarHBondContact O-CG2 3.33Å; V294-I298 PolarHBondContact O-N 3.05Å |
| 295 | G | 97.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61 | -44.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | F291 R292 L299 | F291-G295 WeakPolarHBondContact O-CA 3.48Å; F291-G295 PolarHBondContact O-N 3.41Å; R292-G295 PolarHBondContact O-N 2.84Å; G295-L299 VanDerWaalsContact O-CB 3.31Å; G295-L299 WeakPolarHBondContact O-CB 3.12Å; G295-L299 VanDerWaalsContact O-CG 3.3Å; G295-L299 WeakPolarHBondContact O-CG 3.34Å; G295-L299 PolarHBondContact O-N 3.1Å |
| 296 | E | 97.5 | Very high | 91.1 | Very high | 24 Ų | 24 | 64.9 Ų | 64.9 | 11% | 0.112 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.2 | -48.4 | 176.3 | -77.5 | -170.1 | -158.7 | 0 | 0 | 111.7 | R292 E293 V294 I298 K300 L324 F327 | R292-E296 HydrophobicContact CG-CG 4.39Å; R292-E296 IonicContact CZ-OE1 3.34Å; R292-E296 IonicContact NE-OE1 2.86Å; R292-E296 PolarHBondContact NE-OE1 3Å; R292-E296 IonicContact NH2-OE1 2.93Å; R292-E296 PolarHBondContact NH2-OE1 2.99Å; R292-E296 WeakPolarHBondContact O-CB 3.31Å; R292-E296 WeakPolarHBondContact O-CG 3.5Å; R292-E296 PolarHBondContact O-N 3.32Å; E293-E296 PolarHBondContact O-N 3.25Å; V294-E296 PolarHBondContact O-N 3.04Å; E296-I298 VanDerWaalsContact C-N 3.35Å; E296-I298 PolarHBondContact O-N 3.36Å; E296-K300 VanDerWaalsContact O-CB 3.27Å; E296-K300 WeakPolarHBondContact O-CB 3.49Å; E296-K300 WeakPolarHBondContact O-CD 3.28Å; E296-K300 WeakPolarHBondContact O-CG 3.4Å; E296-K300 PolarHBondContact O-N 2.95Å; E296-K300 IonicContact OE2-NZ 3.35Å; E296-K300 PolarHBondContact OE2-NZ 3.28Å; E296-L324 HydrophobicContact CB-CD2 4.38Å; E296-L324 HydrophobicContact CG-CD2 4.37Å; E296-F327 HydrophobicContact CG-CB 3.69Å; E296-F327 HydrophobicContact CG-CD2 3.68Å; E296-F327 HydrophobicContact CG-CG 4Å |
| 297 | K | 97.3 | Very high | 93.3 | Very high | 160 Ų | 160 | 60.9 Ų | 60.9 | 70% | 0.696 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -58.9 | -47.6 | -178.9 | -178.5 | 179.5 | 178.6 | 179.5 | 0 | 111.2 | E293 V294 K301 | E293-K297 WeakPolarHBondContact O-CB 3.35Å; E293-K297 PolarHBondContact O-N 2.96Å; V294-K297 PolarHBondContact O-N 3.32Å; K297-K301 PolarHBondContact O-N 3.28Å |
| 298 | I | 97.9 | Very high | 95 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.9 | -40.5 | -174.5 | -156 | 66.1 | 0 | 0 | 0 | 112.3 | L210 L213 M249 V294 E296 K301 Y302 | L210-I298 HydrophobicContact CD2-CD1 4.5Å; L213-I298 HydrophobicContact CD1-CD1 3.76Å; L213-I298 HydrophobicContact CD1-CG1 4.48Å; M249-I298 HydrophobicContact CB-CD1 4.41Å; M249-I298 HydrophobicContact CB-CG1 3.85Å; M249-I298 HydrophobicContact CG-CD1 3.81Å; M249-I298 HydrophobicContact CG-CG1 3.81Å; V294-I298 WeakPolarHBondContact O-CB 3.45Å; V294-I298 WeakPolarHBondContact O-CG2 3.33Å; V294-I298 PolarHBondContact O-N 3.05Å; E296-I298 VanDerWaalsContact C-N 3.35Å; E296-I298 PolarHBondContact O-N 3.36Å; I298-K301 WeakPolarHBondContact O-CB 3.23Å; I298-K301 PolarHBondContact O-N 3.27Å; I298-Y302 PolarHBondContact O-N 3.36Å |
| 299 | L | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.9 | -33.5 | 179.6 | -69.3 | 177.3 | 0 | 0 | 0 | 112.5 | M250 G295 K301 Y302 V303 A320 I323 L324 F327 | M250-L299 HydrophobicContact CE-CD2 4.1Å; M250-L299 HydrophobicContact SD-CD2 4.17Å; G295-L299 VanDerWaalsContact O-CB 3.31Å; G295-L299 WeakPolarHBondContact O-CB 3.12Å; G295-L299 VanDerWaalsContact O-CG 3.3Å; G295-L299 WeakPolarHBondContact O-CG 3.34Å; G295-L299 PolarHBondContact O-N 3.1Å; L299-K301 VanDerWaalsContact C-N 3.29Å; L299-K301 PolarHBondContact O-N 2.74Å; L299-Y302 PolarHBondContact O-N 3.12Å; L299-V303 WeakPolarHBondContact O-CG2 3.5Å; L299-V303 PolarHBondContact O-N 3.42Å; L299-A320 HydrophobicContact CD2-CB 3.94Å; L299-I323 HydrophobicContact CD1-CB 3.77Å; L299-I323 HydrophobicContact CD1-CD1 4.44Å; L299-I323 HydrophobicContact CD1-CG2 3.35Å; L299-L324 HydrophobicContact CB-CD1 4.07Å; L299-L324 HydrophobicContact CB-CD2 3.88Å; L299-L324 HydrophobicContact CB-CG 3.84Å; L299-L324 HydrophobicContact CD1-CG 4.36Å; L299-F327 HydrophobicContact CD1-CE2 4.22Å |
| 300 | K | 98.3 | Very high | 96.2 | Very high | 99 Ų | 99 | 48.5 Ų | 48.5 | 43% | 0.43 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.7 | -42.7 | 170.6 | -77.1 | 167.1 | 179.8 | 162.6 | 0 | 110.7 | E296 S304 L324 | E296-K300 VanDerWaalsContact O-CB 3.27Å; E296-K300 WeakPolarHBondContact O-CB 3.49Å; E296-K300 WeakPolarHBondContact O-CD 3.28Å; E296-K300 WeakPolarHBondContact O-CG 3.4Å; E296-K300 PolarHBondContact O-N 2.95Å; E296-K300 IonicContact OE2-NZ 3.35Å; E296-K300 PolarHBondContact OE2-NZ 3.28Å; K300-S304 WeakPolarHBondContact O-CB 3.38Å; K300-S304 PolarHBondContact O-N 3.12Å; K300-L324 HydrophobicContact CG-CD1 4.35Å; K300-L324 HydrophobicContact CG-CD2 3.96Å |
| 301 | K | 97.8 | Very high | 96.2 | Very high | 77 Ų | 77 | 52 Ų | 52 | 34% | 0.335 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 174.5 | -171.8 | -179.7 | -179.8 | -175.1 | 0 | 111.5 | A238 M249 K297 I298 L299 V303 S304 V305 | A238-K301 VanDerWaalsContact O-CE 3.27Å; A238-K301 WeakPolarHBondContact O-CE 3.47Å; A238-K301 PolarHBondContact O-NZ 2.83Å; M249-K301 HydrophobicContact CE-CD 3.9Å; M249-K301 HydrophobicContact CE-CG 4.38Å; M249-K301 HydrophobicContact SD-CB 4.36Å; M249-K301 HydrophobicContact SD-CD 4.07Å; M249-K301 HydrophobicContact SD-CG 4.05Å; K297-K301 PolarHBondContact O-N 3.28Å; I298-K301 WeakPolarHBondContact O-CB 3.23Å; I298-K301 PolarHBondContact O-N 3.27Å; L299-K301 VanDerWaalsContact C-N 3.29Å; L299-K301 PolarHBondContact O-N 2.74Å; K301-V303 PolarHBondContact O-N 3.4Å; K301-S304 PolarHBondContact O-N 2.83Å; K301-V305 HydrophobicContact CG-CG2 4.5Å; K301-V305 VanDerWaalsContact O-CG2 3.23Å; K301-V305 WeakPolarHBondContact O-CG2 3.41Å; K301-V305 PolarHBondContact O-N 3.22Å |
| 302 | Y | 98.3 | Very high | 96 | Very high | 8 Ų | 8 | 59.6 Ų | 59.6 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -53.6 | -54.1 | 176.7 | 174.2 | -95.9 | 0 | 0 | 0 | 112.1 | L246 M249 M250 I298 L299 S304 V305 C306 W315 N316 T317 A320 | L246-Y302 HydrophobicContact CB-CD2 4.36Å; L246-Y302 HydrophobicContact CB-CE2 4.11Å; M249-Y302 HydrophobicContact CB-CD2 4.18Å; M250-Y302 HydrophobicContact CB-CD2 4.49Å; M250-Y302 HydrophobicContact CB-CE2 4.22Å; M250-Y302 HydrophobicContact SD-CE1 4.16Å; I298-Y302 PolarHBondContact O-N 3.36Å; L299-Y302 PolarHBondContact O-N 3.12Å; Y302-S304 VanDerWaalsContact C-N 3.34Å; Y302-S304 PolarHBondContact O-N 3.49Å; Y302-V305 PolarHBondContact O-N 3.33Å; Y302-V305 VanDerWaalsContact O-N 3.13Å; Y302-C306 VanDerWaalsContact CE2-SG 3.57Å; Y302-C306 VanDerWaalsContact CZ-SG 3.56Å; Y302-C306 WeakPolarHBondContact O-CB 3.1Å; Y302-C306 PolarHBondContact O-N 3.47Å; Y302-C306 PolarHBondContact O-SG 3.27Å; Y302-C306 VanDerWaalsContact O-SG 3.33Å; Y302-W315 HydrophobicContact CE2-CE3 4.46Å; Y302-N316 PolarHBondContact OH-O 3.2Å; Y302-N316 VanDerWaalsContact OH-O 3.13Å; Y302-T317 HydrophobicContact CE1-CG2 4.24Å; Y302-A320 HydrophobicContact CD1-CB 3.71Å; Y302-A320 HydrophobicContact CE1-CB 3.91Å |
| 303 | V | 98.1 | Very high | 95.8 | Very high | 18 Ų | 18 | 62 Ų | 62 | 11% | 0.109 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | -179.6 | 174 | 0 | 0 | 0 | 0 | 111.2 | L299 K301 V305 C306 E307 T317 A320 K321 L324 | L299-V303 WeakPolarHBondContact O-CG2 3.5Å; L299-V303 PolarHBondContact O-N 3.42Å; K301-V303 PolarHBondContact O-N 3.4Å; V303-V305 PolarHBondContact O-N 3.48Å; V303-C306 PolarHBondContact O-N 2.95Å; V303-E307 HydrophobicContact CG1-CG 4.32Å; V303-E307 WeakPolarHBondContact O-CB 3.3Å; V303-E307 WeakPolarHBondContact O-CG 3.39Å; V303-E307 PolarHBondContact O-N 3.01Å; V303-T317 HydrophobicContact CG2-CG2 4.44Å; V303-A320 HydrophobicContact CG2-CB 3.81Å; V303-K321 HydrophobicContact CG2-CG 4.22Å; V303-L324 HydrophobicContact CG2-CD1 4.22Å |
| 304 | S | 97.3 | Very high | 95.5 | Very high | 83 Ų | 83 | 64.2 Ų | 64.2 | 58% | 0.58 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.4 | -33.4 | 178.6 | -176.9 | 0 | 0 | 0 | 0 | 112.9 | K300 K301 Y302 G308 | K300-S304 WeakPolarHBondContact O-CB 3.38Å; K300-S304 PolarHBondContact O-N 3.12Å; K301-S304 PolarHBondContact O-N 2.83Å; Y302-S304 VanDerWaalsContact C-N 3.34Å; Y302-S304 PolarHBondContact O-N 3.49Å; S304-G308 PolarHBondContact O-N 3.04Å |
| 305 | V | 96.3 | Very high | 95.4 | Very high | 9 Ų | 9 | 66.4 Ų | 66.4 | 6% | 0.055 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -79.7 | -47.9 | -179.3 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | L235 I240 L246 K301 Y302 V303 E307 G308 P309 L310 | L235-V305 HydrophobicContact CD2-CG1 3.45Å; L235-V305 VanDerWaalsContact CD2-CG1 3.45Å; I240-V305 HydrophobicContact CD1-CB 3.98Å; I240-V305 HydrophobicContact CD1-CG1 3.61Å; I240-V305 HydrophobicContact CD1-CG2 3.33Å; L246-V305 HydrophobicContact CD2-CB 4.46Å; L246-V305 HydrophobicContact CD2-CG1 3.81Å; K301-V305 HydrophobicContact CG-CG2 4.5Å; K301-V305 VanDerWaalsContact O-CG2 3.23Å; K301-V305 WeakPolarHBondContact O-CG2 3.41Å; K301-V305 PolarHBondContact O-N 3.22Å; Y302-V305 PolarHBondContact O-N 3.33Å; Y302-V305 VanDerWaalsContact O-N 3.13Å; V303-V305 PolarHBondContact O-N 3.48Å; V305-E307 VanDerWaalsContact C-N 3.33Å; V305-E307 PolarHBondContact O-N 2.92Å; V305-G308 PolarHBondContact O-N 3.1Å; V305-P309 HydrophobicContact CG1-CG 4.16Å; V305-P309 WeakPolarHBondContact O-CD 3.21Å; V305-L310 HydrophobicContact CG1-CD1 3.84Å; V305-L310 HydrophobicContact CG1-CG 4.26Å; V305-L310 PolarHBondContact O-N 3.45Å; V305-L310 VanDerWaalsContact O-N 3.11Å |
| 306 | C | 96.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 71.4 Ų | 71.4 | 3% | 0.027 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 179.5 | -67 | 0 | 0 | 0 | 0 | 112.6 | Y302 V303 L310 K311 W315 T317 | Y302-C306 VanDerWaalsContact CE2-SG 3.57Å; Y302-C306 VanDerWaalsContact CZ-SG 3.56Å; Y302-C306 WeakPolarHBondContact O-CB 3.1Å; Y302-C306 PolarHBondContact O-N 3.47Å; Y302-C306 PolarHBondContact O-SG 3.27Å; Y302-C306 VanDerWaalsContact O-SG 3.33Å; V303-C306 PolarHBondContact O-N 2.95Å; C306-L310 CarbonylContact O-C 3.21Å; C306-K311 VanDerWaalsContact O-CA 3.29Å; C306-K311 WeakPolarHBondContact O-CA 3.21Å; C306-K311 PolarHBondContact O-N 3.22Å; C306-K311 VanDerWaalsContact O-N 3.17Å; C306-W315 HydrophobicContact CB-CB 3.85Å; C306-W315 VanDerWaalsContact SG-CB 3.53Å; C306-T317 HydrophobicContact CB-CG2 3.54Å |
| 307 | E | 95.8 | Very high | 95.2 | Very high | 89 Ų | 89 | 71 Ų | 71 | 42% | 0.416 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -6.9 | -179.4 | -57 | -170.7 | 160.5 | 0 | 0 | 113.5 | V303 V305 T317 K321 | V303-E307 HydrophobicContact CG1-CG 4.32Å; V303-E307 WeakPolarHBondContact O-CB 3.3Å; V303-E307 WeakPolarHBondContact O-CG 3.39Å; V303-E307 PolarHBondContact O-N 3.01Å; V305-E307 VanDerWaalsContact C-N 3.33Å; V305-E307 PolarHBondContact O-N 2.92Å; E307-T317 HydrophobicContact CG-CG2 3.81Å; E307-T317 WeakPolarHBondContact OE1-CB 3.41Å; E307-T317 PolarHBondContact OE1-OG1 2.84Å; E307-K321 WeakPolarHBondContact OE1-CE 3.3Å; E307-K321 IonicContact OE1-NZ 3.76Å; E307-K321 PolarHBondContact OE1-NZ 3.07Å; E307-K321 IonicContact OE2-NZ 3.92Å; E307-K321 PolarHBondContact OE2-NZ 3.47Å |
| 308 | G | 94.1 | Very high | 95.2 | Very high | 36 Ų | 36 | 67.1 Ų | 67.1 | 37% | 0.371 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -108.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | S304 V305 L310 K311 | S304-G308 PolarHBondContact O-N 3.04Å; V305-G308 PolarHBondContact O-N 3.1Å; G308-L310 PolarHBondContact O-N 2.98Å; G308-K311 WeakPolarHBondContact O-CB 3.48Å; G308-K311 PolarHBondContact O-N 2.85Å; G308-K311 VanDerWaalsContact O-N 3.11Å |
| 309 | P | 93.3 | Very high | 95.2 | Very high | 29 Ų | 29 | 69.1 Ų | 69.1 | 19% | 0.188 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.2 | -174.5 | 25.7 | -36.5 | 0 | 0 | 0 | 114.8 | D231 K234 L235 V305 | D231-P309 HydrophobicContact CB-CB 3.85Å; K234-P309 HydrophobicContact CB-CB 4.38Å; L235-P309 HydrophobicContact CD2-CB 4.2Å; L235-P309 HydrophobicContact CD2-CG 3.79Å; L235-P309 HydrophobicContact CG-CB 4.07Å; L235-P309 HydrophobicContact CG-CG 4.16Å; V305-P309 HydrophobicContact CG1-CG 4.16Å; V305-P309 WeakPolarHBondContact O-CD 3.21Å |
| 310 | L | 94.3 | Very high | 95.2 | Very high | 24 Ų | 24 | 69.1 Ų | 69.1 | 13% | 0.126 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 17.7 | 178.8 | -64.2 | 178.2 | 0 | 0 | 0 | 114 | L235 L246 V305 C306 G308 E312 Q313 | L235-L310 HydrophobicContact CD1-CD2 3.66Å; L235-L310 HydrophobicContact CD1-CG 4.16Å; L235-L310 HydrophobicContact CD2-CD1 4.08Å; L235-L310 HydrophobicContact CD2-CD2 4.4Å; L235-L310 HydrophobicContact CD2-CG 3.99Å; L246-L310 HydrophobicContact CD1-CD1 3.32Å; L246-L310 HydrophobicContact CD2-CD1 4.15Å; L246-L310 HydrophobicContact CG-CD1 4.32Å; V305-L310 HydrophobicContact CG1-CD1 3.84Å; V305-L310 HydrophobicContact CG1-CG 4.26Å; V305-L310 PolarHBondContact O-N 3.45Å; V305-L310 VanDerWaalsContact O-N 3.11Å; C306-L310 CarbonylContact O-C 3.21Å; G308-L310 PolarHBondContact O-N 2.98Å; L310-E312 PolarHBondContact O-N 2.74Å; L310-E312 VanDerWaalsContact O-N 3.11Å; L310-Q313 HydrophobicContact CB-CB 4.36Å; L310-Q313 HydrophobicContact CB-CG 4.45Å; L310-Q313 HydrophobicContact CD2-CG 3.94Å; L310-Q313 WeakPolarHBondContact O-CB 3.43Å; L310-Q313 PolarHBondContact O-N 3.48Å |
| 311 | K | 92.5 | Very high | 95.2 | Very high | 159 Ų | 159 | 68.3 Ų | 68.3 | 69% | 0.691 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -55.7 | -34.2 | -176 | -175.2 | -179.9 | 176.9 | -174.1 | 0 | 113.3 | C306 G308 Q313 | C306-K311 VanDerWaalsContact O-CA 3.29Å; C306-K311 WeakPolarHBondContact O-CA 3.21Å; C306-K311 PolarHBondContact O-N 3.22Å; C306-K311 VanDerWaalsContact O-N 3.17Å; G308-K311 WeakPolarHBondContact O-CB 3.48Å; G308-K311 PolarHBondContact O-N 2.85Å; G308-K311 VanDerWaalsContact O-N 3.11Å; K311-Q313 VanDerWaalsContact C-N 3.29Å |
| 312 | E | 89.9 | Confident | 95.2 | Very high | 179 Ų | 179 | 70.3 Ų | 70.3 | 84% | 0.836 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -79.5 | -9.8 | 179.8 | -58.8 | -171.8 | 168.1 | 0 | 0 | 113.5 | L310 | L310-E312 PolarHBondContact O-N 2.74Å; L310-E312 VanDerWaalsContact O-N 3.11Å |
| 313 | Q | 88.6 | Confident | 95.2 | Very high | 126 Ų | 126 | 70.1 Ų | 70.1 | 59% | 0.589 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -95.6 | 9.6 | -178.4 | -54.8 | -58.1 | -39.1 | 0 | 0 | 112.9 | L310 K311 W315 | L310-Q313 HydrophobicContact CB-CB 4.36Å; L310-Q313 HydrophobicContact CB-CG 4.45Å; L310-Q313 HydrophobicContact CD2-CG 3.94Å; L310-Q313 WeakPolarHBondContact O-CB 3.43Å; L310-Q313 PolarHBondContact O-N 3.48Å; K311-Q313 VanDerWaalsContact C-N 3.29Å; Q313-W315 PolarHBondContact O-N 3.43Å |
| 314 | E | 88.8 | Confident | 95.2 | Very high | 178 Ų | 178 | 70 Ų | 70 | 83% | 0.832 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 28.8 | 170.1 | -57.1 | -170.3 | 161.3 | 0 | 0 | 116.2 | N316 | E314-N316 PolarHBondContact O-N 3.21Š|
| 315 | W | 94.1 | Very high | 95.1 | Very high | 77 Ų | 77 | 70.5 Ų | 70.5 | 29% | 0.292 | 35% | 0.351 | S | S | . | . | trans | -62.1 | 129.4 | 173.7 | -78.7 | 88.2 | 0 | 0 | 0 | 111.7 | D243 L246 L247 Y302 C306 Q313 T317 | D243-W315 HydrophobicContact CB-CH2 4.14Å; D243-W315 HydrophobicContact CB-CZ2 3.79Å; L246-W315 HydrophobicContact CB-CE3 4.44Å; L246-W315 HydrophobicContact CB-CH2 4.08Å; L246-W315 HydrophobicContact CB-CZ2 4.37Å; L246-W315 HydrophobicContact CB-CZ3 4.13Å; L246-W315 HydrophobicContact CD1-CD2 3.89Å; L246-W315 VanDerWaalsContact CD1-CE2 3.42Å; L246-W315 HydrophobicContact CD1-CE3 4.43Å; L246-W315 HydrophobicContact CD1-CG 4.38Å; L246-W315 HydrophobicContact CD1-CH2 4.16Å; L246-W315 HydrophobicContact CD1-CZ2 3.6Å; L247-W315 HydrophobicContact CD2-CH2 4.28Å; L247-W315 HydrophobicContact CD2-CZ3 4.08Å; L247-W315 HydrophobicContact CG-CH2 4.34Å; Y302-W315 HydrophobicContact CE2-CE3 4.46Å; C306-W315 HydrophobicContact CB-CB 3.85Å; C306-W315 VanDerWaalsContact SG-CB 3.53Å; Q313-W315 PolarHBondContact O-N 3.43Å; W315-T317 PolarHBondContact O-N 2.98Å | ||
| 316 | N | 94.1 | Very high | 95.1 | Very high | 104 Ų | 104 | 72.7 Ų | 72.7 | 56% | 0.556 | 36% | 0.361 | S | S | * | . | trans | -80.1 | 113.9 | -175.7 | -173.8 | -15.4 | 0 | 0 | 0 | 112.6 | Y302 E314 T318 | Y302-N316 PolarHBondContact OH-O 3.2Å; Y302-N316 VanDerWaalsContact OH-O 3.13Å; E314-N316 PolarHBondContact O-N 3.21Å; N316-T318 WeakPolarHBondContact OD1-CB 3.33Å; N316-T318 PolarHBondContact OD1-N 2.96Å; N316-T318 PolarHBondContact OD1-OG1 2.68Å | ||
| 317 | T | 97.4 | Very high | 94.9 | Very high | 15 Ų | 15 | 72.6 Ų | 72.6 | 9% | 0.092 | 36% | 0.36 | C | S | . | . | trans | -96 | -0.3 | 177.9 | 62.2 | 0 | 0 | 0 | 0 | 114.9 | Y302 V303 C306 E307 W315 N319 A320 K321 | Y302-T317 HydrophobicContact CE1-CG2 4.24Å; V303-T317 HydrophobicContact CG2-CG2 4.44Å; C306-T317 HydrophobicContact CB-CG2 3.54Å; E307-T317 HydrophobicContact CG-CG2 3.81Å; E307-T317 WeakPolarHBondContact OE1-CB 3.41Å; E307-T317 PolarHBondContact OE1-OG1 2.84Å; W315-T317 PolarHBondContact O-N 2.98Å; T317-N319 PolarHBondContact O-N 3.32Å; T317-A320 PolarHBondContact O-N 3.25Å; T317-K321 WeakPolarHBondContact O-CB 3.36Å; T317-K321 WeakPolarHBondContact O-CG 3.39Å; T317-K321 PolarHBondContact O-N 3.02Å | ||
| 318 | T | 97.8 | Very high | 94.6 | Very high | 79 Ų | 79 | 72.5 Ų | 72.5 | 49% | 0.485 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.6 | -50.5 | -173.1 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | N316 K321 Q322 | N316-T318 WeakPolarHBondContact OD1-CB 3.33Å; N316-T318 PolarHBondContact OD1-N 2.96Å; N316-T318 PolarHBondContact OD1-OG1 2.68Å; T318-K321 PolarHBondContact O-N 3.48Å; T318-Q322 WeakPolarHBondContact O-CG 3.48Å; T318-Q322 PolarHBondContact O-N 3.37Å |
| 319 | N | 97.3 | Very high | 93.9 | Very high | 58 Ų | 58 | 77.4 Ų | 77.4 | 31% | 0.31 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | -179.2 | -170.8 | 29.3 | 0 | 0 | 0 | 111.5 | M250 E254 T317 K321 Q322 I323 | M250-N319 HydrophobicContact CE-CB 4.4Å; M250-N319 WeakPolarHBondContact CE-ND2 3.46Å; E254-N319 VanDerWaalsContact CD-ND2 3.29Å; E254-N319 PolarHBondContact OE1-ND2 3.28Å; T317-N319 PolarHBondContact O-N 3.32Å; N319-K321 VanDerWaalsContact C-N 3.3Å; N319-K321 PolarHBondContact O-N 2.78Å; N319-Q322 WeakPolarHBondContact O-CB 3.05Å; N319-Q322 PolarHBondContact O-N 3.32Å; N319-Q322 VanDerWaalsContact O-N 3.1Å; N319-I323 WeakPolarHBondContact O-CG1 3.14Å; N319-I323 PolarHBondContact O-N 3.14Å |
| 320 | A | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -55.2 | -44.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M250 L299 Y302 V303 T317 I323 L324 | M250-A320 HydrophobicContact SD-CB 4.02Å; L299-A320 HydrophobicContact CD2-CB 3.94Å; Y302-A320 HydrophobicContact CD1-CB 3.71Å; Y302-A320 HydrophobicContact CE1-CB 3.91Å; V303-A320 HydrophobicContact CG2-CB 3.81Å; T317-A320 PolarHBondContact O-N 3.25Å; A320-I323 PolarHBondContact O-N 3.09Å; A320-L324 WeakPolarHBondContact O-CB 3.22Å; A320-L324 VanDerWaalsContact O-CG 3.3Å; A320-L324 WeakPolarHBondContact O-CG 3.39Å; A320-L324 PolarHBondContact O-N 3.49Å |
| 321 | K | 98.3 | Very high | 90.8 | Very high | 82 Ų | 82 | 84.2 Ų | 84.2 | 36% | 0.357 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | 176.5 | -72.7 | 176.3 | 175 | -179.1 | 0 | 112.7 | V303 E307 T317 T318 N319 L324 N325 | V303-K321 HydrophobicContact CG2-CG 4.22Å; E307-K321 WeakPolarHBondContact OE1-CE 3.3Å; E307-K321 IonicContact OE1-NZ 3.76Å; E307-K321 PolarHBondContact OE1-NZ 3.07Å; E307-K321 IonicContact OE2-NZ 3.92Å; E307-K321 PolarHBondContact OE2-NZ 3.47Å; T317-K321 WeakPolarHBondContact O-CB 3.36Å; T317-K321 WeakPolarHBondContact O-CG 3.39Å; T317-K321 PolarHBondContact O-N 3.02Å; T318-K321 PolarHBondContact O-N 3.48Å; N319-K321 VanDerWaalsContact C-N 3.3Å; N319-K321 PolarHBondContact O-N 2.78Å; K321-L324 PolarHBondContact O-N 2.7Å; K321-N325 VanDerWaalsContact O-CG 3.25Å; K321-N325 PolarHBondContact O-N 3.32Å; K321-N325 PolarHBondContact O-ND2 2.79Å |
| 322 | Q | 97.9 | Very high | 88.2 | Confident | 119 Ų | 119 | 86.5 Ų | 86.5 | 56% | 0.556 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.7 | -43.8 | 175.1 | -73.3 | 173.9 | -8.7 | 0 | 0 | 111.9 | T318 N319 N325 F326 | T318-Q322 WeakPolarHBondContact O-CG 3.48Å; T318-Q322 PolarHBondContact O-N 3.37Å; N319-Q322 WeakPolarHBondContact O-CB 3.05Å; N319-Q322 PolarHBondContact O-N 3.32Å; N319-Q322 VanDerWaalsContact O-N 3.1Å; Q322-N325 WeakPolarHBondContact O-CB 3.2Å; Q322-N325 PolarHBondContact O-N 3.26Å; Q322-F326 PolarHBondContact O-N 3.39Å |
| 323 | I | 97.9 | Very high | 88.2 | Confident | 4 Ų | 4 | 81.9 Ų | 81.9 | 2% | 0.021 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 176.3 | -67.5 | 167.7 | 0 | 0 | 0 | 111 | M250 E254 Y257 L299 N319 A320 N325 F326 F327 | M250-I323 HydrophobicContact CE-CD1 3.79Å; E254-I323 HydrophobicContact CB-CD1 4.47Å; E254-I323 HydrophobicContact CG-CD1 3.47Å; E254-I323 VanDerWaalsContact CG-CD1 3.47Å; Y257-I323 HydrophobicContact CD1-CG1 4.35Å; Y257-I323 HydrophobicContact CD2-CG2 4.43Å; Y257-I323 HydrophobicContact CG-CG1 4.11Å; Y257-I323 HydrophobicContact CG-CG2 4.24Å; L299-I323 HydrophobicContact CD1-CB 3.77Å; L299-I323 HydrophobicContact CD1-CD1 4.44Å; L299-I323 HydrophobicContact CD1-CG2 3.35Å; N319-I323 WeakPolarHBondContact O-CG1 3.14Å; N319-I323 PolarHBondContact O-N 3.14Å; A320-I323 PolarHBondContact O-N 3.09Å; I323-N325 VanDerWaalsContact C-N 3.28Å; I323-N325 PolarHBondContact O-N 3.15Å; I323-F326 WeakPolarHBondContact O-CA 3.41Å; I323-F326 WeakPolarHBondContact O-CB 3.13Å; I323-F326 PolarHBondContact O-N 3Å; I323-F327 HydrophobicContact CG2-CD2 4.02Å; I323-F327 HydrophobicContact CG2-CE1 4.44Å; I323-F327 HydrophobicContact CG2-CE2 3.38Å; I323-F327 HydrophobicContact CG2-CZ 3.63Å; I323-F327 PolarHBondContact O-N 3.38Å |
| 324 | L | 97.8 | Very high | 88.1 | Confident | 16 Ų | 16 | 79.5 Ų | 79.5 | 8% | 0.084 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -56.8 | -45 | 174.3 | -77 | 169.1 | 0 | 0 | 0 | 110.8 | E296 L299 K300 V303 A320 K321 F326 F327 H328 | E296-L324 HydrophobicContact CB-CD2 4.38Å; E296-L324 HydrophobicContact CG-CD2 4.37Å; L299-L324 HydrophobicContact CB-CD1 4.07Å; L299-L324 HydrophobicContact CB-CD2 3.88Å; L299-L324 HydrophobicContact CB-CG 3.84Å; L299-L324 HydrophobicContact CD1-CG 4.36Å; K300-L324 HydrophobicContact CG-CD1 4.35Å; K300-L324 HydrophobicContact CG-CD2 3.96Å; V303-L324 HydrophobicContact CG2-CD1 4.22Å; A320-L324 WeakPolarHBondContact O-CB 3.22Å; A320-L324 VanDerWaalsContact O-CG 3.3Å; A320-L324 WeakPolarHBondContact O-CG 3.39Å; A320-L324 PolarHBondContact O-N 3.49Å; K321-L324 PolarHBondContact O-N 2.7Å; L324-F326 VanDerWaalsContact C-N 3.31Å; L324-F326 PolarHBondContact O-N 2.68Å; L324-F327 PolarHBondContact O-N 3.35Å; L324-H328 PolarHBondContact O-N 2.83Å; L324-H328 VanDerWaalsContact O-N 3.16Å; L324-H328 PolarHBondContact O-ND1 3.18Å |
| 325 | N | 96.7 | Very high | 88.1 | Confident | 93 Ų | 93 | 74.1 Ų | 74.1 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 175.3 | -72.1 | -23.7 | 0 | 0 | 0 | 111.7 | K321 Q322 I323 F327 H328 H329 | K321-N325 VanDerWaalsContact O-CG 3.25Å; K321-N325 PolarHBondContact O-N 3.32Å; K321-N325 PolarHBondContact O-ND2 2.79Å; Q322-N325 WeakPolarHBondContact O-CB 3.2Å; Q322-N325 PolarHBondContact O-N 3.26Å; I323-N325 VanDerWaalsContact C-N 3.28Å; I323-N325 PolarHBondContact O-N 3.15Å; N325-F327 VanDerWaalsContact C-N 3.33Å; N325-F327 PolarHBondContact O-N 3.28Å; N325-H328 PolarHBondContact O-N 3.23Å; N325-H329 PolarHBondContact O-N 3.28Å; N325-H329 VanDerWaalsContact O-N 3.12Å; N325-H329 PolarHBondContact O-ND1 3.45Å |
| 326 | F | 94.9 | Very high | 87.8 | Confident | 56 Ų | 56 | 73.9 Ų | 73.9 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.6 | -44.5 | 175.3 | 172.9 | -90.9 | 0 | 0 | 0 | 112.4 | Y257 K261 Q322 I323 L324 H328 H329 R330 | Y257-F326 HydrophobicContact CD2-CB 4.44Å; Y257-F326 AromaticContact CD2-CD1 3.53Å; Y257-F326 HydrophobicContact CD2-CD1 3.53Å; Y257-F326 HydrophobicContact CD2-CD2 4.47Å; Y257-F326 AromaticContact CD2-CE1 3.8Å; Y257-F326 HydrophobicContact CD2-CE1 3.8Å; Y257-F326 AromaticContact CD2-CG 3.9Å; Y257-F326 HydrophobicContact CD2-CG 3.9Å; Y257-F326 HydrophobicContact CD2-CZ 4.38Å; Y257-F326 HydrophobicContact CE2-CB 4.27Å; Y257-F326 AromaticContact CE2-CD1 3.74Å; Y257-F326 HydrophobicContact CE2-CD1 3.74Å; Y257-F326 AromaticContact CE2-CD2 3.83Å; Y257-F326 HydrophobicContact CE2-CD2 3.83Å; Y257-F326 AromaticContact CE2-CE1 3.96Å; Y257-F326 HydrophobicContact CE2-CE1 3.96Å; Y257-F326 HydrophobicContact CE2-CE2 4.04Å; Y257-F326 AromaticContact CE2-CG 3.67Å; Y257-F326 HydrophobicContact CE2-CG 3.67Å; Y257-F326 HydrophobicContact CE2-CZ 4.1Å; K261-F326 HydrophobicContact CB-CZ 4.3Å; Q322-F326 PolarHBondContact O-N 3.39Å; I323-F326 WeakPolarHBondContact O-CA 3.41Å; I323-F326 WeakPolarHBondContact O-CB 3.13Å; I323-F326 PolarHBondContact O-N 3Å; L324-F326 VanDerWaalsContact C-N 3.31Å; L324-F326 PolarHBondContact O-N 2.68Å; F326-H328 VanDerWaalsContact C-N 3.33Å; F326-H328 PolarHBondContact O-N 3.13Å; F326-H329 PolarHBondContact O-N 3.36Å; F326-R330 PolarHBondContact O-N 2.94Å |
| 327 | F | 93.9 | Very high | 87.4 | Confident | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.009 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.9 | -37.2 | 177.8 | -64.9 | -37.8 | 0 | 0 | 0 | 113.1 | C256 R292 E296 L299 I323 L324 N325 | C256-F327 HydrophobicContact CB-CZ 4.08Å; R292-F327 HydrophobicContact CB-CD1 4.36Å; R292-F327 HydrophobicContact CG-CB 3.92Å; R292-F327 HydrophobicContact CG-CD1 3.92Å; R292-F327 HydrophobicContact CG-CG 4Å; R292-F327 PolarHBondContact NE-O 3.17Å; R292-F327 VanDerWaalsContact NE-O 3.1Å; E296-F327 HydrophobicContact CG-CB 3.69Å; E296-F327 HydrophobicContact CG-CD2 3.68Å; E296-F327 HydrophobicContact CG-CG 4Å; L299-F327 HydrophobicContact CD1-CE2 4.22Å; I323-F327 HydrophobicContact CG2-CD2 4.02Å; I323-F327 HydrophobicContact CG2-CE1 4.44Å; I323-F327 HydrophobicContact CG2-CE2 3.38Å; I323-F327 HydrophobicContact CG2-CZ 3.63Å; I323-F327 PolarHBondContact O-N 3.38Å; L324-F327 PolarHBondContact O-N 3.35Å; N325-F327 VanDerWaalsContact C-N 3.33Å; N325-F327 PolarHBondContact O-N 3.28Å |
| 328 | H | 88.3 | Confident | 86.7 | Confident | 86 Ų | 86 | 75.8 Ų | 75.8 | 40% | 0.398 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.7 | -32.9 | 176.4 | -65.4 | 97.5 | 0 | 0 | 0 | 113.3 | L324 N325 F326 C331 | L324-H328 PolarHBondContact O-N 2.83Å; L324-H328 VanDerWaalsContact O-N 3.16Å; L324-H328 PolarHBondContact O-ND1 3.18Å; N325-H328 PolarHBondContact O-N 3.23Å; F326-H328 VanDerWaalsContact C-N 3.33Å; F326-H328 PolarHBondContact O-N 3.13Å; H328-C331 WeakPolarHBondContact O-CB 3.38Å; H328-C331 PolarHBondContact O-N 2.93Å |
| 329 | H | 80.7 | Confident | 85.9 | Confident | 139 Ų | 139 | 75.6 Ų | 75.6 | 64% | 0.644 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -77.1 | -20.2 | -175.8 | -74.3 | 71.2 | 0 | 0 | 0 | 113.8 | N325 F326 C331 | N325-H329 PolarHBondContact O-N 3.28Å; N325-H329 VanDerWaalsContact O-N 3.12Å; N325-H329 PolarHBondContact O-ND1 3.45Å; F326-H329 PolarHBondContact O-N 3.36Å; H329-C331 PolarHBondContact O-N 3.45Å |
| 330 | R | 68.6 | Low | 85 | Confident | 122 Ų | 122 | 76.9 Ų | 76.9 | 46% | 0.46 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 3.9 | 172.2 | -96.9 | -167.4 | 175.2 | -174.9 | 5 | 114.3 | S260 A264 F326 | S260-R330 PolarHBondContact O-NH1 3.44Å; S260-R330 PolarHBondContact O-NH2 3.25Å; A264-R330 VanDerWaalsContact CB-NH1 3.28Å; F326-R330 PolarHBondContact O-N 2.94Å |
| 331 | C | 52.2 | Low | 83.9 | Confident | 75 Ų | 75 | 83.3 Ų | 83.3 | 51% | 0.507 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -17.3 | 174.1 | -102.4 | 0 | 0 | 0 | 0 | 115 | R292 H328 H329 | R292-C331 PolarHBondContact NH1-SG 3.03Å; R292-C331 PolarHBondContact NH2-SG 3.47Å; H328-C331 WeakPolarHBondContact O-CB 3.38Å; H328-C331 PolarHBondContact O-N 2.93Å; H329-C331 PolarHBondContact O-N 3.45Å |
| 332 | N | 39.9 | Very low | 82.6 | Confident | 206 Ų | 206 | 83.5 Ų | 83.5 | 100% | 1.102 | 41% | 0.411 | S | S | * | . | trans | -107.8 | 0 | -177.8 | -66.5 | -20 | 0 | 0 | 0 | 110.3 |
Retrieved 332 of 332 residues in 943.5 ms
(Link to these results)