| 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 | 51.9 | Low | 62.4 | Low | 251 Ų | 251 | 128.9 Ų | 128.9 | 100% | 1.236 | 81% | 0.813 | S | S | * | * | 0 | 93.4 | 0 | -62.6 | -148.5 | -179.1 | 0 | 0 | 106.7 | |||||
| 2 | G | 43.7 | Very low | 62.9 | Low | 71 Ų | 71 | 127.8 Ų | 127.8 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | -99.5 | -163.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 3 | P | 56.3 | Low | 63.2 | Low | 121 Ų | 121 | 126.6 Ų | 126.6 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | cis | -131 | 179.7 | -47 | 30.7 | -11.8 | 0 | 0 | 0 | 111.1 | C5 | P3-C5 PolarHBondContact O-N 3.48Š| ||
| 4 | D | 56 | Low | 62.5 | Low | 155 Ų | 155 | 126.5 Ų | 126.5 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | -21 | 120.1 | 168.8 | -63.7 | -85.5 | 0 | 0 | 0 | 117.3 | P6 | D4-P6 WeakPolarHBondContact O-CD 3.35Š| ||
| 5 | C | 54.4 | Low | 61.2 | Low | 125 Ų | 125 | 126.9 Ų | 126.9 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 118.8 | 161.4 | -80.8 | 0 | 0 | 0 | 0 | 108.9 | P3 | P3-C5 PolarHBondContact O-N 3.48Š|
| 6 | P | 68.3 | Low | 60.3 | Low | 112 Ų | 112 | 127.9 Ų | 127.9 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 151.6 | 175.1 | 30.3 | -32.2 | 0 | 0 | 0 | 110.7 | D4 | D4-P6 WeakPolarHBondContact O-CD 3.35Š|
| 7 | P | 71.6 | Confident | 59.1 | Low | 114 Ų | 114 | 127.7 Ų | 127.7 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66 | 153.5 | 174.7 | 27.7 | -33.5 | 0 | 0 | 0 | 111.5 | ||
| 8 | P | 70.1 | Confident | 58.4 | Low | 119 Ų | 119 | 128.7 Ų | 128.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 147 | -179.1 | 27.1 | -33.8 | 0 | 0 | 0 | 111.5 | ||
| 9 | P | 72.5 | Confident | 57.6 | Low | 118 Ų | 118 | 129.2 Ų | 129.2 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 151.8 | -178.6 | 27.9 | -33.9 | 0 | 0 | 0 | 111.9 | ||
| 10 | P | 72.9 | Confident | 56.7 | Low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 153.2 | 175.8 | 27.5 | -33.6 | 0 | 0 | 0 | 111.5 | ||
| 11 | P | 68.7 | Low | 56 | Low | 116 Ų | 116 | 131.9 Ų | 131.9 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63 | 147.5 | 179.5 | 26.5 | -33.5 | 0 | 0 | 0 | 111.2 | ||
| 12 | P | 68.1 | Low | 55.3 | Low | 116 Ų | 116 | 124.8 Ų | 124.8 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 147.9 | -179.8 | 26.7 | -33.2 | 0 | 0 | 0 | 111.1 | ||
| 13 | P | 67.1 | Low | 55.3 | Low | 112 Ų | 112 | 130.7 Ų | 130.7 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 153.1 | 174.7 | 27 | -33.2 | 0 | 0 | 0 | 110.6 | N15 | P13-N15 PolarHBondContact O-N 3.29Å; P13-N15 VanDerWaalsContact O-N 3.16Å |
| 14 | P | 53.1 | Low | 54.5 | Low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 124.4 | -178.4 | 23.8 | -31.8 | 0 | 0 | 0 | 110 | N16 | P14-N16 PolarHBondContact O-N 3.22Š|
| 15 | N | 43 | Very low | 53.9 | Low | 133 Ų | 133 | 131.1 Ų | 131.1 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | -60.5 | 97 | 178.1 | -173.4 | 26.4 | 0 | 0 | 0 | 109.7 | P13 N17 | P13-N15 PolarHBondContact O-N 3.29Å; P13-N15 VanDerWaalsContact O-N 3.16Å; N15-N17 PolarHBondContact O-N 3.04Å | ||
| 16 | N | 48 | Very low | 53.4 | Low | 143 Ų | 143 | 128.5 Ų | 128.5 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | -78.5 | 80.5 | 174 | -157.6 | 26 | 0 | 0 | 0 | 108.5 | P14 N18 | P14-N16 PolarHBondContact O-N 3.22Å; N16-N18 PolarHBondContact O-N 3.15Å | ||
| 17 | N | 40 | Very low | 52 | Low | 124 Ų | 124 | 132.3 Ų | 132.3 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | trans | -79.3 | 68.7 | -176.8 | -141.1 | 21.7 | 0 | 0 | 0 | 110 | N15 N19 | N15-N17 PolarHBondContact O-N 3.04Å; N17-N19 PolarHBondContact O-N 3.49Å | ||
| 18 | N | 45.1 | Very low | 51.2 | Low | 146 Ų | 146 | 137.1 Ų | 137.1 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | trans | -96 | 82.2 | 168.9 | -109.6 | -2.9 | 0 | 0 | 0 | 108.9 | N16 | N16-N18 PolarHBondContact O-N 3.15Š| ||
| 19 | N | 43.1 | Very low | 49.7 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -119.4 | 89.1 | 171.9 | -135.2 | 4.1 | 0 | 0 | 0 | 108.7 | N17 | N17-N19 PolarHBondContact O-N 3.49Š| ||
| 20 | N | 39.5 | Very low | 48.6 | Very low | 173 Ų | 173 | 136 Ų | 136 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | -127.4 | 88.9 | 162.2 | -93.5 | -18.8 | 0 | 0 | 0 | 108.4 | ||||
| 21 | N | 43.8 | Very low | 47.5 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | -89.4 | 107.3 | 163 | -163.6 | 15.7 | 0 | 0 | 0 | 107.5 | ||||
| 22 | S | 37.1 | Very low | 46.6 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -140.6 | 90.6 | 157.4 | -168.2 | 0 | 0 | 0 | 0 | 108.7 | H24 | S22-H24 PolarHBondContact O-N 3.24Å; S22-H24 VanDerWaalsContact O-N 3.16Å | ||
| 23 | K | 42.2 | Very low | 45.7 | Very low | 196 Ų | 196 | 134.8 Ų | 134.8 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | -71.2 | 95.8 | 161.8 | -85.3 | 179.6 | 174.3 | 176.3 | 0 | 107.6 | ||||
| 24 | H | 40.2 | Very low | 45.2 | Very low | 162 Ų | 162 | 134 Ų | 134 | 75% | 0.75 | 76% | 0.76 | S | S | * | * | trans | -105.2 | 116 | 156.3 | -116.6 | -56.8 | 0 | 0 | 0 | 109.8 | S22 | S22-H24 PolarHBondContact O-N 3.24Å; S22-H24 VanDerWaalsContact O-N 3.16Å | ||
| 25 | T | 42.6 | Very low | 45.3 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | -1.4 | 125.5 | 151.9 | 50.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 26 | G | 44.5 | Very low | 46.5 | Very low | 71 Ų | 71 | 132.8 Ų | 132.8 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | trans | -62.9 | 140.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 27 | H | 39.8 | Very low | 47.7 | Very low | 192 Ų | 192 | 130.8 Ų | 130.8 | 89% | 0.889 | 73% | 0.734 | S | S | * | * | trans | -135 | 132.1 | 143.6 | -85.1 | -52.2 | 0 | 0 | 0 | 108.7 | S29 | H27-S29 PolarHBondContact O-N 3.38Š| ||
| 28 | K | 54.7 | Low | 49.4 | Very low | 215 Ų | 215 | 131.4 Ų | 131.4 | 94% | 0.935 | 73% | 0.727 | S | S | * | * | trans | -55.7 | 125.5 | 173.7 | -71.4 | 170.4 | 172.4 | 176.2 | 0 | 109.4 | ||||
| 29 | S | 37.3 | Very low | 51.1 | Low | 121 Ų | 121 | 133 Ų | 133 | 85% | 0.846 | 72% | 0.722 | S | S | * | * | trans | -144.7 | 129.5 | 149.9 | -152.4 | 0 | 0 | 0 | 0 | 109.3 | H27 | H27-S29 PolarHBondContact O-N 3.38Š| ||
| 30 | A | 49.4 | Very low | 53 | Low | 92 Ų | 92 | 133.8 Ų | 133.8 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | trans | -74.5 | 149.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 31 | C | 50 | Low | 55.2 | Low | 114 Ų | 114 | 129.9 Ų | 129.9 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | trans | 70.9 | 81.3 | 153.7 | -156.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 32 | V | 50.4 | Low | 57.4 | Low | 120 Ų | 120 | 128.4 Ų | 128.4 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | trans | -152.3 | 83.2 | 144.3 | -162.2 | 0 | 0 | 0 | 0 | 112.1 | M35 | V32-M35 HydrophobicContact CG1-CB 4.34Å; V32-M35 HydrophobicContact CG1-CG 4.09Å | ||
| 33 | P | 49.3 | Very low | 59.8 | Low | 89 Ų | 89 | 127.9 Ų | 127.9 | 58% | 0.578 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -97.2 | -16.9 | 161.7 | -4.2 | 23.9 | 0 | 0 | 0 | 113.4 | ||
| 34 | N | 56.8 | Low | 62 | Low | 94 Ų | 94 | 121 Ų | 121 | 50% | 0.503 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -93.9 | -15.2 | -157 | -154.5 | -10.9 | 0 | 0 | 0 | 115.4 | R38 | N34-R38 VanDerWaalsContact O-CB 3.29Å; N34-R38 WeakPolarHBondContact O-CB 3.44Å; N34-R38 PolarHBondContact O-N 3.38Å |
| 35 | M | 54.6 | Low | 64.5 | Low | 133 Ų | 133 | 119.3 Ų | 119.3 | 66% | 0.655 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -80.1 | -30.8 | -176 | -66.9 | -61.3 | -152.6 | 0 | 0 | 113.3 | V32 R39 | V32-M35 HydrophobicContact CG1-CB 4.34Å; V32-M35 HydrophobicContact CG1-CG 4.09Å; M35-R39 WeakPolarHBondContact O-CB 3.38Å; M35-R39 PolarHBondContact O-N 3.42Å |
| 36 | T | 67.9 | Low | 66.9 | Low | 101 Ų | 101 | 119 Ų | 119 | 62% | 0.62 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -84 | -31.7 | -179.5 | 45 | 0 | 0 | 0 | 0 | 113.2 | R40 | T36-R40 WeakPolarHBondContact O-CB 3.22Å; T36-R40 PolarHBondContact O-N 3.34Å; T36-R40 VanDerWaalsContact O-N 3.12Å |
| 37 | E | 72.7 | Confident | 69.2 | Low | 100 Ų | 100 | 119.6 Ų | 119.6 | 47% | 0.467 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.3 | -47.9 | 174.1 | -73.5 | 179 | 160.5 | 0 | 0 | 110.5 | R39 R40 D41 | E37-R39 VanDerWaalsContact C-N 3.28Å; E37-R39 PolarHBondContact O-N 2.98Å; E37-R40 CarbonylContact O-C 3.58Å; E37-R40 WeakPolarHBondContact O-CA 3.42Å; E37-R40 WeakPolarHBondContact O-CB 3.05Å; E37-R40 PolarHBondContact O-N 3.27Å; E37-D41 VanDerWaalsContact O-CG 3.32Å; E37-D41 PolarHBondContact O-N 3.35Å |
| 38 | R | 76.1 | Confident | 71.7 | Confident | 138 Ų | 138 | 114.6 Ų | 114.6 | 52% | 0.521 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -57 | -40.8 | 175.3 | -168.3 | -179.6 | -82.8 | 171.2 | -9.5 | 112.6 | N34 R40 D41 E42 | N34-R38 VanDerWaalsContact O-CB 3.29Å; N34-R38 WeakPolarHBondContact O-CB 3.44Å; N34-R38 PolarHBondContact O-N 3.38Å; R38-R40 VanDerWaalsContact C-N 3.34Å; R38-R40 PolarHBondContact O-N 3.36Å; R38-D41 PolarHBondContact O-N 2.9Å; R38-E42 WeakPolarHBondContact O-CB 3.29Å; R38-E42 VanDerWaalsContact O-CG 3.28Å; R38-E42 WeakPolarHBondContact O-CG 3.47Å; R38-E42 PolarHBondContact O-N 2.98Å |
| 39 | R | 80.6 | Confident | 73.6 | Confident | 178 Ų | 178 | 109.3 Ų | 109.3 | 67% | 0.672 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.3 | -30.1 | 174.9 | -167.1 | 170 | -174.8 | -170.3 | 0.8 | 113.3 | M35 E37 L43 | M35-R39 WeakPolarHBondContact O-CB 3.38Å; M35-R39 PolarHBondContact O-N 3.42Å; E37-R39 VanDerWaalsContact C-N 3.28Å; E37-R39 PolarHBondContact O-N 2.98Å; R39-L43 WeakPolarHBondContact O-CB 3.22Å; R39-L43 WeakPolarHBondContact O-CD1 3.43Å; R39-L43 VanDerWaalsContact O-CG 3.25Å; R39-L43 WeakPolarHBondContact O-CG 3.43Å; R39-L43 PolarHBondContact O-N 3.17Å; R39-L43 VanDerWaalsContact O-N 3.16Å |
| 40 | R | 83.2 | Confident | 76.3 | Confident | 155 Ų | 155 | 108.2 Ų | 108.2 | 59% | 0.585 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -71.5 | -38.8 | 173.7 | -177.7 | -170.9 | -69.1 | 150.5 | -2.4 | 110.8 | T36 E37 R38 S44 | T36-R40 WeakPolarHBondContact O-CB 3.22Å; T36-R40 PolarHBondContact O-N 3.34Å; T36-R40 VanDerWaalsContact O-N 3.12Å; E37-R40 CarbonylContact O-C 3.58Å; E37-R40 WeakPolarHBondContact O-CA 3.42Å; E37-R40 WeakPolarHBondContact O-CB 3.05Å; E37-R40 PolarHBondContact O-N 3.27Å; R38-R40 VanDerWaalsContact C-N 3.34Å; R38-R40 PolarHBondContact O-N 3.36Å; R40-S44 WeakPolarHBondContact O-CB 3.46Å; R40-S44 PolarHBondContact O-N 2.68Å; R40-S44 PolarHBondContact O-OG 3.4Å |
| 41 | D | 86.7 | Confident | 78.4 | Confident | 91 Ų | 91 | 111.6 Ų | 111.6 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.2 | -44.7 | 177.9 | -62.2 | -23.8 | 0 | 0 | 0 | 110.6 | E37 R38 L43 S44 E45 | E37-D41 VanDerWaalsContact O-CG 3.32Å; E37-D41 PolarHBondContact O-N 3.35Å; R38-D41 PolarHBondContact O-N 2.9Å; D41-L43 PolarHBondContact O-N 2.87Å; D41-S44 WeakPolarHBondContact O-CB 3.38Å; D41-S44 PolarHBondContact O-N 3.2Å; D41-E45 PolarHBondContact O-N 3.13Å |
| 42 | E | 88.7 | Confident | 80.6 | Confident | 111 Ų | 111 | 112.5 Ų | 112.5 | 52% | 0.519 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -56.6 | -46.6 | 173.2 | -74.2 | 166.9 | -168.5 | 0 | 0 | 112.2 | R38 S44 E45 E46 | R38-E42 WeakPolarHBondContact O-CB 3.29Å; R38-E42 VanDerWaalsContact O-CG 3.28Å; R38-E42 WeakPolarHBondContact O-CG 3.47Å; R38-E42 PolarHBondContact O-N 2.98Å; E42-S44 VanDerWaalsContact C-N 3.29Å; E42-S44 PolarHBondContact O-N 3.35Å; E42-E45 PolarHBondContact O-N 3.18Å; E42-E46 PolarHBondContact O-N 2.96Å |
| 43 | L | 87.8 | Confident | 82.7 | Confident | 90 Ų | 90 | 114 Ų | 114 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.4 | -32.9 | 176 | -74.3 | 169.9 | 0 | 0 | 0 | 112.4 | R39 D41 E46 I47 | R39-L43 WeakPolarHBondContact O-CB 3.22Å; R39-L43 WeakPolarHBondContact O-CD1 3.43Å; R39-L43 VanDerWaalsContact O-CG 3.25Å; R39-L43 WeakPolarHBondContact O-CG 3.43Å; R39-L43 PolarHBondContact O-N 3.17Å; R39-L43 VanDerWaalsContact O-N 3.16Å; D41-L43 PolarHBondContact O-N 2.87Å; L43-E46 PolarHBondContact O-N 3.36Å; L43-I47 WeakPolarHBondContact O-CB 3.21Å; L43-I47 WeakPolarHBondContact O-CD1 3.41Å; L43-I47 WeakPolarHBondContact O-CG1 3.4Å; L43-I47 PolarHBondContact O-N 3.34Å |
| 44 | S | 88.6 | Confident | 84.9 | Confident | 51 Ų | 51 | 114.2 Ų | 114.2 | 36% | 0.357 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.6 | -39.1 | 178.6 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | R40 D41 E42 I47 N48 | R40-S44 WeakPolarHBondContact O-CB 3.46Å; R40-S44 PolarHBondContact O-N 2.68Å; R40-S44 PolarHBondContact O-OG 3.4Å; D41-S44 WeakPolarHBondContact O-CB 3.38Å; D41-S44 PolarHBondContact O-N 3.2Å; E42-S44 VanDerWaalsContact C-N 3.29Å; E42-S44 PolarHBondContact O-N 3.35Å; S44-I47 PolarHBondContact O-N 3.4Å; S44-N48 VanDerWaalsContact O-CG 3.26Å; S44-N48 PolarHBondContact O-N 3.24Å; S44-N48 PolarHBondContact O-ND2 3.07Å |
| 45 | E | 93.5 | Very high | 86.7 | Confident | 127 Ų | 127 | 115.6 Ų | 115.6 | 59% | 0.593 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.9 | -43.1 | 171.8 | -72.3 | -179.9 | -178.3 | 0 | 0 | 111.5 | D41 E42 I47 N48 N49 | D41-E45 PolarHBondContact O-N 3.13Å; E42-E45 PolarHBondContact O-N 3.18Å; E45-I47 PolarHBondContact O-N 2.81Å; E45-N48 PolarHBondContact O-N 3.35Å; E45-N49 WeakPolarHBondContact O-CB 3.48Å; E45-N49 VanDerWaalsContact O-CG 3.25Å; E45-N49 PolarHBondContact O-N 2.86Å; E45-N49 PolarHBondContact O-ND2 2.9Å |
| 46 | E | 92.9 | Very high | 88.7 | Confident | 115 Ų | 115 | 115.4 Ų | 115.4 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 176.3 | -168.2 | 172.8 | -163.6 | 0 | 0 | 112 | E42 L43 N48 N49 L50 | E42-E46 PolarHBondContact O-N 2.96Å; L43-E46 PolarHBondContact O-N 3.36Å; E46-N48 VanDerWaalsContact C-N 3.34Å; E46-N48 PolarHBondContact O-N 2.86Å; E46-N49 PolarHBondContact O-N 3.39Å; E46-L50 HydrophobicContact CG-CD1 4.34Å; E46-L50 WeakPolarHBondContact O-CB 3.28Å; E46-L50 VanDerWaalsContact O-CG 3.26Å; E46-L50 WeakPolarHBondContact O-CG 3.46Å; E46-L50 PolarHBondContact O-N 3.15Å |
| 47 | I | 91.7 | Very high | 89.8 | Confident | 84 Ų | 84 | 115.8 Ų | 115.8 | 43% | 0.431 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 175 | -72.2 | 165.8 | 0 | 0 | 0 | 111.4 | L43 S44 E45 L50 R51 | L43-I47 WeakPolarHBondContact O-CB 3.21Å; L43-I47 WeakPolarHBondContact O-CD1 3.41Å; L43-I47 WeakPolarHBondContact O-CG1 3.4Å; L43-I47 PolarHBondContact O-N 3.34Å; S44-I47 PolarHBondContact O-N 3.4Å; E45-I47 PolarHBondContact O-N 2.81Å; I47-L50 PolarHBondContact O-N 2.9Å; I47-R51 VanDerWaalsContact O-CG 3.28Å; I47-R51 WeakPolarHBondContact O-CG 3.43Å; I47-R51 PolarHBondContact O-N 2.78Å |
| 48 | N | 92.7 | Very high | 90.9 | Very high | 87 Ų | 87 | 113.4 Ų | 113.4 | 47% | 0.465 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.7 | -42.9 | 178.3 | -72.6 | -25.7 | 0 | 0 | 0 | 111.7 | S44 E45 E46 L50 R51 E52 | S44-N48 VanDerWaalsContact O-CG 3.26Å; S44-N48 PolarHBondContact O-N 3.24Å; S44-N48 PolarHBondContact O-ND2 3.07Å; E45-N48 PolarHBondContact O-N 3.35Å; E46-N48 VanDerWaalsContact C-N 3.34Å; E46-N48 PolarHBondContact O-N 2.86Å; N48-L50 VanDerWaalsContact C-N 3.32Å; N48-L50 PolarHBondContact O-N 3.39Å; N48-R51 WeakPolarHBondContact O-CB 3.33Å; N48-R51 PolarHBondContact O-N 3.03Å; N48-E52 PolarHBondContact O-N 3.36Å |
| 49 | N | 95.1 | Very high | 91.8 | Very high | 104 Ų | 104 | 113 Ų | 113 | 56% | 0.556 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.9 | -40.9 | 174.4 | -71.5 | -26.4 | 0 | 0 | 0 | 111.8 | E45 E46 E52 K53 | E45-N49 WeakPolarHBondContact O-CB 3.48Å; E45-N49 VanDerWaalsContact O-CG 3.25Å; E45-N49 PolarHBondContact O-N 2.86Å; E45-N49 PolarHBondContact O-ND2 2.9Å; E46-N49 PolarHBondContact O-N 3.39Å; N49-E52 PolarHBondContact O-N 3.24Å; N49-K53 WeakPolarHBondContact O-CB 3.46Å; N49-K53 PolarHBondContact O-N 3.47Å |
| 50 | L | 92.8 | Very high | 92.4 | Very high | 99 Ų | 99 | 109.3 Ų | 109.3 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 175.7 | -73.7 | 171.7 | 0 | 0 | 0 | 112 | E46 I47 N48 K53 V54 | E46-L50 HydrophobicContact CG-CD1 4.34Å; E46-L50 WeakPolarHBondContact O-CB 3.28Å; E46-L50 VanDerWaalsContact O-CG 3.26Å; E46-L50 WeakPolarHBondContact O-CG 3.46Å; E46-L50 PolarHBondContact O-N 3.15Å; I47-L50 PolarHBondContact O-N 2.9Å; N48-L50 VanDerWaalsContact C-N 3.32Å; N48-L50 PolarHBondContact O-N 3.39Å; L50-K53 PolarHBondContact O-N 3Å; L50-V54 VanDerWaalsContact O-CG2 3.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.42Å; L50-V54 PolarHBondContact O-N 3.28Å |
| 51 | R | 94.1 | Very high | 92.8 | Very high | 163 Ų | 163 | 106.2 Ų | 106.2 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.7 | -44.5 | 175.7 | -75.7 | 169.8 | 177.5 | -176.3 | -1.1 | 112 | I47 N48 K53 V54 M55 | I47-R51 VanDerWaalsContact O-CG 3.28Å; I47-R51 WeakPolarHBondContact O-CG 3.43Å; I47-R51 PolarHBondContact O-N 2.78Å; N48-R51 WeakPolarHBondContact O-CB 3.33Å; N48-R51 PolarHBondContact O-N 3.03Å; R51-K53 VanDerWaalsContact C-N 3.32Å; R51-K53 PolarHBondContact O-N 3.41Å; R51-V54 PolarHBondContact O-N 2.87Å; R51-M55 WeakPolarHBondContact O-CG 3.46Å; R51-M55 PolarHBondContact O-N 3.1Å |
| 52 | E | 96.1 | Very high | 93.1 | Very high | 132 Ų | 132 | 106.4 Ų | 106.4 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62 | -42.6 | 176.9 | -170.3 | 177.3 | -178.1 | 0 | 0 | 111.1 | N48 N49 V54 M55 K56 | N48-E52 PolarHBondContact O-N 3.36Å; N49-E52 PolarHBondContact O-N 3.24Å; E52-V54 PolarHBondContact O-N 3.27Å; E52-M55 PolarHBondContact O-N 2.98Å; E52-K56 PolarHBondContact O-N 3.44Å |
| 53 | K | 95.1 | Very high | 93.5 | Very high | 151 Ų | 151 | 106.6 Ų | 106.6 | 66% | 0.657 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -39.8 | 176.1 | -165.2 | 171.5 | -176.1 | 177.3 | 0 | 112.6 | N49 L50 R51 Q57 | N49-K53 WeakPolarHBondContact O-CB 3.46Å; N49-K53 PolarHBondContact O-N 3.47Å; L50-K53 PolarHBondContact O-N 3Å; R51-K53 VanDerWaalsContact C-N 3.32Å; R51-K53 PolarHBondContact O-N 3.41Å; K53-Q57 VanDerWaalsContact O-CB 3.29Å; K53-Q57 WeakPolarHBondContact O-CB 3.39Å; K53-Q57 PolarHBondContact O-N 2.97Å |
| 54 | V | 95.5 | Very high | 93.8 | Very high | 95 Ų | 95 | 106.9 Ų | 106.9 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.8 | -41.7 | 175.1 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | L50 R51 E52 Q57 S58 | L50-V54 VanDerWaalsContact O-CG2 3.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.42Å; L50-V54 PolarHBondContact O-N 3.28Å; R51-V54 PolarHBondContact O-N 2.87Å; E52-V54 PolarHBondContact O-N 3.27Å; V54-Q57 PolarHBondContact O-N 2.96Å; V54-S58 WeakPolarHBondContact O-CB 3.32Å; V54-S58 PolarHBondContact O-N 3Å |
| 55 | M | 95.1 | Very high | 93.9 | Very high | 122 Ų | 122 | 110.5 Ų | 110.5 | 60% | 0.601 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.9 | -47.1 | 176 | -69.5 | -147 | -55.9 | 0 | 0 | 111.3 | R51 E52 Q57 S58 E59 | R51-M55 WeakPolarHBondContact O-CG 3.46Å; R51-M55 PolarHBondContact O-N 3.1Å; E52-M55 PolarHBondContact O-N 2.98Å; M55-Q57 VanDerWaalsContact C-N 3.32Å; M55-Q57 PolarHBondContact O-N 2.84Å; M55-S58 WeakPolarHBondContact O-CB 3.35Å; M55-S58 PolarHBondContact O-N 3.33Å; M55-S58 PolarHBondContact O-OG 3.28Å; M55-E59 WeakPolarHBondContact O-CG 3.3Å; M55-E59 PolarHBondContact O-N 3.36Å |
| 56 | K | 95.5 | Very high | 94 | Very high | 130 Ų | 130 | 108 Ų | 108 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.6 | -43.3 | 176.4 | -169.7 | 178.7 | 179.7 | -179.7 | 0 | 112.2 | E52 S58 E59 E60 | E52-K56 PolarHBondContact O-N 3.44Å; K56-S58 VanDerWaalsContact C-N 3.29Å; K56-S58 PolarHBondContact O-N 3.03Å; K56-E59 PolarHBondContact O-N 3.35Å; K56-E60 WeakPolarHBondContact O-CG 3.27Å; K56-E60 PolarHBondContact O-N 3.38Å |
| 57 | Q | 92.5 | Very high | 94.1 | Very high | 108 Ų | 108 | 108 Ų | 108 | 51% | 0.505 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.9 | -33.5 | 176.5 | -169.5 | 167.8 | 15.1 | 0 | 0 | 112.1 | K53 V54 M55 N61 | K53-Q57 VanDerWaalsContact O-CB 3.29Å; K53-Q57 WeakPolarHBondContact O-CB 3.39Å; K53-Q57 PolarHBondContact O-N 2.97Å; V54-Q57 PolarHBondContact O-N 2.96Å; M55-Q57 VanDerWaalsContact C-N 3.32Å; M55-Q57 PolarHBondContact O-N 2.84Å; Q57-N61 WeakPolarHBondContact O-CB 3.49Å; Q57-N61 VanDerWaalsContact O-CG 3.24Å; Q57-N61 PolarHBondContact O-N 3.35Å; Q57-N61 PolarHBondContact O-ND2 3.36Å |
| 58 | S | 93.8 | Very high | 94.3 | Very high | 51 Ų | 51 | 108.3 Ų | 108.3 | 36% | 0.357 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 174.6 | 78.3 | 0 | 0 | 0 | 0 | 112.3 | V54 M55 K56 N61 N62 | V54-S58 WeakPolarHBondContact O-CB 3.32Å; V54-S58 PolarHBondContact O-N 3Å; M55-S58 WeakPolarHBondContact O-CB 3.35Å; M55-S58 PolarHBondContact O-N 3.33Å; M55-S58 PolarHBondContact O-OG 3.28Å; K56-S58 VanDerWaalsContact C-N 3.29Å; K56-S58 PolarHBondContact O-N 3.03Å; S58-N61 PolarHBondContact O-N 2.93Å; S58-N62 VanDerWaalsContact O-CG 3.25Å; S58-N62 PolarHBondContact O-N 3.06Å; S58-N62 PolarHBondContact O-ND2 2.97Å |
| 59 | E | 96.1 | Very high | 94.3 | Very high | 128 Ų | 128 | 109.8 Ų | 109.8 | 60% | 0.598 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.5 | -44.1 | 174.3 | -70.5 | 173.5 | -179 | 0 | 0 | 111.3 | M55 K56 N61 N62 N63 | M55-E59 WeakPolarHBondContact O-CG 3.3Å; M55-E59 PolarHBondContact O-N 3.36Å; K56-E59 PolarHBondContact O-N 3.35Å; E59-N61 PolarHBondContact O-N 2.9Å; E59-N62 PolarHBondContact O-N 2.73Å; E59-N63 WeakPolarHBondContact O-CB 3.42Å; E59-N63 PolarHBondContact O-N 3.48Å |
| 60 | E | 93.8 | Very high | 94.3 | Very high | 101 Ų | 101 | 111.8 Ų | 111.8 | 47% | 0.472 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60 | -43.9 | 174.6 | -73.5 | 173.2 | -171.3 | 0 | 0 | 111.6 | K56 N63 L64 | K56-E60 WeakPolarHBondContact O-CG 3.27Å; K56-E60 PolarHBondContact O-N 3.38Å; E60-N63 PolarHBondContact O-N 2.92Å; E60-L64 WeakPolarHBondContact O-CG 3.33Å; E60-L64 PolarHBondContact O-N 3Å |
| 61 | N | 90.2 | Very high | 94.3 | Very high | 91 Ų | 91 | 111.2 Ų | 111.2 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 176 | -75.5 | -22.8 | 0 | 0 | 0 | 112.6 | Q57 S58 E59 N63 L64 Q65 | Q57-N61 WeakPolarHBondContact O-CB 3.49Å; Q57-N61 VanDerWaalsContact O-CG 3.24Å; Q57-N61 PolarHBondContact O-N 3.35Å; Q57-N61 PolarHBondContact O-ND2 3.36Å; S58-N61 PolarHBondContact O-N 2.93Å; E59-N61 PolarHBondContact O-N 2.9Å; N61-N63 VanDerWaalsContact C-N 3.31Å; N61-N63 PolarHBondContact O-N 3.32Å; N61-L64 PolarHBondContact O-N 3.46Å; N61-Q65 WeakPolarHBondContact O-CB 3.19Å; N61-Q65 PolarHBondContact O-N 3.16Å |
| 62 | N | 94.1 | Very high | 94.2 | Very high | 95 Ų | 95 | 107.1 Ų | 107.1 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64 | -37.6 | 176.3 | -72.3 | -28.8 | 0 | 0 | 0 | 111.8 | S58 E59 Q65 S66 | S58-N62 VanDerWaalsContact O-CG 3.25Å; S58-N62 PolarHBondContact O-N 3.06Å; S58-N62 PolarHBondContact O-ND2 2.97Å; E59-N62 PolarHBondContact O-N 2.73Å; N62-Q65 PolarHBondContact O-N 3.32Å; N62-S66 PolarHBondContact O-N 3.39Å; N62-S66 PolarHBondContact O-OG 3.07Å |
| 63 | N | 96.3 | Very high | 94 | Very high | 114 Ų | 114 | 105.9 Ų | 105.9 | 61% | 0.61 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.5 | -45.1 | 176.7 | -170.9 | 30.3 | 0 | 0 | 0 | 111.5 | E59 E60 N61 Q65 S66 Q67 | E59-N63 WeakPolarHBondContact O-CB 3.42Å; E59-N63 PolarHBondContact O-N 3.48Å; E60-N63 PolarHBondContact O-N 2.92Å; N61-N63 VanDerWaalsContact C-N 3.31Å; N61-N63 PolarHBondContact O-N 3.32Å; N63-Q65 VanDerWaalsContact C-N 3.32Å; N63-Q65 PolarHBondContact O-N 2.95Å; N63-S66 WeakPolarHBondContact O-CB 3.47Å; N63-S66 PolarHBondContact O-N 3.49Å; N63-Q67 PolarHBondContact O-N 2.77Å |
| 64 | L | 94.1 | Very high | 93.8 | Very high | 96 Ų | 96 | 103.8 Ų | 103.8 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 174.6 | -72.1 | 173.5 | 0 | 0 | 0 | 111.7 | E60 N61 S66 Q67 V68 | E60-L64 WeakPolarHBondContact O-CG 3.33Å; E60-L64 PolarHBondContact O-N 3Å; N61-L64 PolarHBondContact O-N 3.46Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 3.49Å; L64-Q67 PolarHBondContact O-N 2.95Å; L64-V68 WeakPolarHBondContact O-CG2 3.45Å; L64-V68 PolarHBondContact O-N 3.44Å |
| 65 | Q | 91.8 | Very high | 93.2 | Very high | 127 Ų | 127 | 103.9 Ų | 103.9 | 59% | 0.593 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.8 | -41.3 | 176.2 | -168.9 | 172.7 | 6 | 0 | 0 | 111.8 | N61 N62 N63 Q67 V68 Q69 | N61-Q65 WeakPolarHBondContact O-CB 3.19Å; N61-Q65 PolarHBondContact O-N 3.16Å; N62-Q65 PolarHBondContact O-N 3.32Å; N63-Q65 VanDerWaalsContact C-N 3.32Å; N63-Q65 PolarHBondContact O-N 2.95Å; Q65-Q67 VanDerWaalsContact C-N 3.33Å; Q65-Q67 PolarHBondContact O-N 3.29Å; Q65-V68 PolarHBondContact O-N 3.49Å; Q65-Q69 PolarHBondContact O-N 3.39Å |
| 66 | S | 95.8 | Very high | 92.8 | Very high | 76 Ų | 76 | 101.7 Ų | 101.7 | 53% | 0.531 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 174.1 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | N62 N63 L64 Q69 K70 | N62-S66 PolarHBondContact O-N 3.39Å; N62-S66 PolarHBondContact O-OG 3.07Å; N63-S66 WeakPolarHBondContact O-CB 3.47Å; N63-S66 PolarHBondContact O-N 3.49Å; L64-S66 VanDerWaalsContact C-N 3.33Å; L64-S66 PolarHBondContact O-N 3.49Å; S66-Q69 PolarHBondContact O-N 3.24Å; S66-K70 PolarHBondContact O-N 3.45Å |
| 67 | Q | 94.7 | Very high | 92.5 | Very high | 114 Ų | 114 | 98.8 Ų | 98.8 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 177 | -171 | 172.7 | 37 | 0 | 0 | 112.3 | N63 L64 Q65 Q69 K70 L71 | N63-Q67 PolarHBondContact O-N 2.77Å; L64-Q67 PolarHBondContact O-N 2.95Å; Q65-Q67 VanDerWaalsContact C-N 3.33Å; Q65-Q67 PolarHBondContact O-N 3.29Å; Q67-Q69 VanDerWaalsContact C-N 3.32Å; Q67-Q69 PolarHBondContact O-N 3.4Å; Q67-K70 PolarHBondContact O-N 3.14Å; Q67-L71 HydrophobicContact CG-CD1 4.36Å; Q67-L71 WeakPolarHBondContact O-CG 3.4Å; Q67-L71 PolarHBondContact O-N 3.33Å |
| 68 | V | 95.1 | Very high | 92.1 | Very high | 91 Ų | 91 | 98 Ų | 98 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | 175.4 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | L64 Q65 L71 T72 | L64-V68 WeakPolarHBondContact O-CG2 3.45Å; L64-V68 PolarHBondContact O-N 3.44Å; Q65-V68 PolarHBondContact O-N 3.49Å; V68-L71 PolarHBondContact O-N 2.98Å; V68-T72 WeakPolarHBondContact O-CB 3.5Å; V68-T72 PolarHBondContact O-N 3.38Å; V68-T72 PolarHBondContact O-OG1 3.15Å |
| 69 | Q | 93.7 | Very high | 91.3 | Very high | 118 Ų | 118 | 104.9 Ų | 104.9 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 177.9 | -172.9 | 144.6 | 1.5 | 0 | 0 | 111.7 | Q65 S66 Q67 L71 T72 E73 | Q65-Q69 PolarHBondContact O-N 3.39Å; S66-Q69 PolarHBondContact O-N 3.24Å; Q67-Q69 VanDerWaalsContact C-N 3.32Å; Q67-Q69 PolarHBondContact O-N 3.4Å; Q69-L71 PolarHBondContact O-N 2.88Å; Q69-T72 WeakPolarHBondContact O-CB 3.4Å; Q69-T72 PolarHBondContact O-N 3.27Å; Q69-T72 VanDerWaalsContact O-N 3.14Å; Q69-E73 WeakPolarHBondContact O-CG 3.26Å; Q69-E73 PolarHBondContact O-N 2.96Å |
| 70 | K | 94.8 | Very high | 90.4 | Very high | 146 Ų | 146 | 106 Ų | 106 | 64% | 0.635 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.6 | -44.2 | 175.6 | -171.3 | 178.8 | 179.4 | -176.5 | 0 | 112.7 | S66 Q67 T72 E73 E74 | S66-K70 PolarHBondContact O-N 3.45Å; Q67-K70 PolarHBondContact O-N 3.14Å; K70-T72 VanDerWaalsContact C-N 3.26Å; K70-T72 PolarHBondContact O-N 3.43Å; K70-E73 PolarHBondContact O-N 2.8Å; K70-E74 PolarHBondContact O-N 2.85Å |
| 71 | L | 91.9 | Very high | 89.4 | Confident | 86 Ų | 86 | 108 Ų | 108 | 45% | 0.45 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.6 | -30 | 176.8 | -73.7 | 171.9 | 0 | 0 | 0 | 112.5 | Q67 V68 Q69 N75 | Q67-L71 HydrophobicContact CG-CD1 4.36Å; Q67-L71 WeakPolarHBondContact O-CG 3.4Å; Q67-L71 PolarHBondContact O-N 3.33Å; V68-L71 PolarHBondContact O-N 2.98Å; Q69-L71 PolarHBondContact O-N 2.88Å; L71-N75 WeakPolarHBondContact O-CB 3.38Å; L71-N75 PolarHBondContact O-N 3.14Å; L71-N75 PolarHBondContact O-ND2 3.15Å |
| 72 | T | 92.9 | Very high | 88.4 | Confident | 78 Ų | 78 | 109.3 Ų | 109.3 | 48% | 0.479 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69 | -45.6 | 175.6 | -55.7 | 0 | 0 | 0 | 0 | 110.3 | V68 Q69 K70 E74 N75 T76 | V68-T72 WeakPolarHBondContact O-CB 3.5Å; V68-T72 PolarHBondContact O-N 3.38Å; V68-T72 PolarHBondContact O-OG1 3.15Å; Q69-T72 WeakPolarHBondContact O-CB 3.4Å; Q69-T72 PolarHBondContact O-N 3.27Å; Q69-T72 VanDerWaalsContact O-N 3.14Å; K70-T72 VanDerWaalsContact C-N 3.26Å; K70-T72 PolarHBondContact O-N 3.43Å; T72-E74 VanDerWaalsContact C-N 3.34Å; T72-E74 PolarHBondContact O-N 3.27Å; T72-N75 PolarHBondContact O-N 2.83Å; T72-T76 WeakPolarHBondContact O-CG2 3.35Å; T72-T76 PolarHBondContact O-N 3.15Å; T72-T76 PolarHBondContact O-OG1 3.21Å |
| 73 | E | 92.3 | Very high | 86.4 | Confident | 106 Ų | 106 | 112.1 Ų | 112.1 | 50% | 0.495 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.1 | -38.6 | 175.9 | -71.7 | 169.8 | -169.5 | 0 | 0 | 112.4 | Q69 K70 T76 T77 | Q69-E73 WeakPolarHBondContact O-CG 3.26Å; Q69-E73 PolarHBondContact O-N 2.96Å; K70-E73 PolarHBondContact O-N 2.8Å; E73-T76 VanDerWaalsContact CA-OG1 3.3Å; E73-T76 WeakPolarHBondContact CA-OG1 3.4Å; E73-T76 PolarHBondContact O-N 2.79Å; E73-T76 PolarHBondContact O-OG1 3.41Å; E73-T77 WeakPolarHBondContact O-CB 3.42Å; E73-T77 PolarHBondContact O-N 3.48Å; E73-T77 PolarHBondContact O-OG1 3.33Å |
| 74 | E | 90.4 | Very high | 84.1 | Confident | 107 Ų | 107 | 112 Ų | 112 | 50% | 0.5 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.9 | -42.5 | 175 | -168 | 171.4 | -174 | 0 | 0 | 111.2 | K70 T72 T76 T77 L78 | K70-E74 PolarHBondContact O-N 2.85Å; T72-E74 VanDerWaalsContact C-N 3.34Å; T72-E74 PolarHBondContact O-N 3.27Å; E74-T76 PolarHBondContact O-N 3.35Å; E74-T77 PolarHBondContact O-N 2.73Å; E74-L78 HydrophobicContact CG-CD1 4.38Å; E74-L78 WeakPolarHBondContact O-CB 3.35Å; E74-L78 WeakPolarHBondContact O-CG 3.36Å; E74-L78 PolarHBondContact O-N 3.37Å |
| 75 | N | 81.6 | Confident | 81.4 | Confident | 96 Ų | 96 | 113.1 Ų | 113.1 | 51% | 0.513 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.6 | -37 | 174.5 | -89.1 | -72.4 | 0 | 0 | 0 | 113.2 | L71 T72 R79 | L71-N75 WeakPolarHBondContact O-CB 3.38Å; L71-N75 PolarHBondContact O-N 3.14Å; L71-N75 PolarHBondContact O-ND2 3.15Å; T72-N75 PolarHBondContact O-N 2.83Å; N75-R79 WeakPolarHBondContact O-CG 3.46Å; N75-R79 PolarHBondContact O-N 3.16Å |
| 76 | T | 88.2 | Confident | 79.4 | Confident | 76 Ų | 76 | 112.6 Ų | 112.6 | 47% | 0.466 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67 | -42.2 | 174.9 | 50.6 | 0 | 0 | 0 | 0 | 111 | T72 E73 E74 L78 R79 E80 | T72-T76 WeakPolarHBondContact O-CG2 3.35Å; T72-T76 PolarHBondContact O-N 3.15Å; T72-T76 PolarHBondContact O-OG1 3.21Å; E73-T76 VanDerWaalsContact CA-OG1 3.3Å; E73-T76 WeakPolarHBondContact CA-OG1 3.4Å; E73-T76 PolarHBondContact O-N 2.79Å; E73-T76 PolarHBondContact O-OG1 3.41Å; E74-T76 PolarHBondContact O-N 3.35Å; T76-L78 VanDerWaalsContact C-N 3.34Å; T76-L78 PolarHBondContact O-N 3.15Å; T76-R79 PolarHBondContact O-N 2.95Å; T76-E80 PolarHBondContact O-N 3.17Å |
| 77 | T | 88.9 | Confident | 76.6 | Confident | 70 Ų | 70 | 117.9 Ų | 117.9 | 43% | 0.429 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.4 | -36.5 | 178.4 | -50.7 | 0 | 0 | 0 | 0 | 112.1 | E73 E74 Q81 | E73-T77 WeakPolarHBondContact O-CB 3.42Å; E73-T77 PolarHBondContact O-N 3.48Å; E73-T77 PolarHBondContact O-OG1 3.33Å; E74-T77 PolarHBondContact O-N 2.73Å; T77-Q81 WeakPolarHBondContact O-CG 3.39Å; T77-Q81 PolarHBondContact O-N 3Å; T77-Q81 PolarHBondContact O-NE2 2.97Å; T77-Q81 VanDerWaalsContact O-NE2 3.14Å |
| 78 | L | 83.5 | Confident | 73.9 | Confident | 90 Ų | 90 | 120 Ų | 120 | 47% | 0.471 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.4 | -34.1 | 174.6 | -73.4 | 171.3 | 0 | 0 | 0 | 112.2 | E74 T76 Q81 V82 | E74-L78 HydrophobicContact CG-CD1 4.38Å; E74-L78 WeakPolarHBondContact O-CB 3.35Å; E74-L78 WeakPolarHBondContact O-CG 3.36Å; E74-L78 PolarHBondContact O-N 3.37Å; T76-L78 VanDerWaalsContact C-N 3.34Å; T76-L78 PolarHBondContact O-N 3.15Å; L78-Q81 PolarHBondContact O-N 3.48Å; L78-V82 VanDerWaalsContact O-CG2 3.28Å; L78-V82 WeakPolarHBondContact O-CG2 3.38Å |
| 79 | R | 77.8 | Confident | 71.4 | Confident | 196 Ų | 196 | 123.9 Ų | 123.9 | 74% | 0.74 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.7 | -41.6 | 174.2 | -77.6 | 177.3 | 175.2 | -144.7 | -2.2 | 112 | N75 T76 Q81 V82 E83 | N75-R79 WeakPolarHBondContact O-CG 3.46Å; N75-R79 PolarHBondContact O-N 3.16Å; T76-R79 PolarHBondContact O-N 2.95Å; R79-Q81 VanDerWaalsContact C-N 3.26Å; R79-Q81 PolarHBondContact O-N 2.63Å; R79-V82 PolarHBondContact O-N 3.02Å; R79-V82 VanDerWaalsContact O-N 3.1Å; R79-E83 PolarHBondContact O-N 2.65Å |
| 80 | E | 77.3 | Confident | 68.7 | Low | 151 Ų | 151 | 125 Ų | 125 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.5 | -29.9 | 176.6 | -124.9 | 172.8 | 175.9 | 0 | 0 | 112.5 | T76 V82 | T76-E80 PolarHBondContact O-N 3.17Å; E80-V82 VanDerWaalsContact C-N 3.29Å; E80-V82 PolarHBondContact O-N 3.02Å |
| 81 | Q | 71.8 | Confident | 65.9 | Low | 143 Ų | 143 | 125.1 Ų | 125.1 | 67% | 0.668 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -12.6 | 174.4 | -77.9 | 173.9 | 77.3 | 0 | 0 | 114.4 | T77 L78 R79 | T77-Q81 WeakPolarHBondContact O-CG 3.39Å; T77-Q81 PolarHBondContact O-N 3Å; T77-Q81 PolarHBondContact O-NE2 2.97Å; T77-Q81 VanDerWaalsContact O-NE2 3.14Å; L78-Q81 PolarHBondContact O-N 3.48Å; R79-Q81 VanDerWaalsContact C-N 3.26Å; R79-Q81 PolarHBondContact O-N 2.63Å |
| 82 | V | 68.9 | Low | 63.1 | Low | 119 Ų | 119 | 128.3 Ų | 128.3 | 72% | 0.721 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -3.9 | -175.3 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | L78 R79 E80 | L78-V82 VanDerWaalsContact O-CG2 3.28Å; L78-V82 WeakPolarHBondContact O-CG2 3.38Å; R79-V82 PolarHBondContact O-N 3.02Å; R79-V82 VanDerWaalsContact O-N 3.1Å; E80-V82 VanDerWaalsContact C-N 3.29Å; E80-V82 PolarHBondContact O-N 3.02Å |
| 83 | E | 52.3 | Low | 60.7 | Low | 155 Ų | 155 | 132.4 Ų | 132.4 | 72% | 0.724 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 122.8 | 176 | -159.8 | 165.6 | -157.5 | 0 | 0 | 110.9 | R79 | R79-E83 PolarHBondContact O-N 2.65Š|
| 84 | P | 48.7 | Very low | 58.1 | Low | 111 Ų | 111 | 136.1 Ų | 136.1 | 72% | 0.721 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 137 | 169.6 | 31.2 | -29.2 | 0 | 0 | 0 | 109.4 | ||
| 85 | T | 37.1 | Very low | 55.7 | Low | 120 Ų | 120 | 139 Ų | 139 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 137.7 | 173.7 | 36 | 0 | 0 | 0 | 0 | 112.7 | E87 | T85-E87 PolarHBondContact O-N 3.4Š|
| 86 | P | 49.1 | Very low | 53.4 | Low | 116 Ų | 116 | 146.2 Ų | 146.2 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 120.9 | 167.8 | 31.6 | -27.9 | 0 | 0 | 0 | 108 | ||
| 87 | E | 37.9 | Very low | 50.9 | Low | 186 Ų | 186 | 146.4 Ų | 146.4 | 87% | 0.869 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 120.2 | 165.5 | -71.7 | -174.7 | 169.9 | 0 | 0 | 108.3 | T85 | T85-E87 PolarHBondContact O-N 3.4Š|
| 88 | D | 37.8 | Very low | 48.2 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 158.7 | 173.4 | -68.1 | -55.3 | 0 | 0 | 0 | 112.3 | ||
| 89 | E | 43.5 | Very low | 46.1 | Very low | 173 Ų | 173 | 148.7 Ų | 148.7 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 145.6 | -175.9 | -53.9 | 175.8 | 133.1 | 0 | 0 | 114.4 | ||
| 90 | D | 35.7 | Very low | 44.1 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | 157.5 | 142.9 | 117.2 | -82.9 | -33.4 | 0 | 0 | 0 | 115.6 | |||||
| 91 | D | 35.9 | Very low | 42.2 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | 63.3 | 110.3 | 159.3 | -63.7 | -37 | 0 | 0 | 0 | 121.3 | ||||
| 92 | D | 33.5 | Very low | 40.4 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | -174.9 | 135.6 | 95.2 | -147.4 | 1.1 | 0 | 0 | 0 | 111.9 | |||||
| 93 | I | 42 | Very low | 39.3 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -97.6 | 102.5 | 175.8 | -128.9 | 160.4 | 0 | 0 | 0 | 107.2 | ||||
| 94 | E | 38.4 | Very low | 39.1 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -148.6 | 122.3 | 158.7 | -137.9 | 179.2 | -179.5 | 0 | 0 | 114.8 | ||||
| 95 | L | 40.8 | Very low | 39.1 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | trans | -50.9 | 119.4 | 177.7 | -161.5 | 78.5 | 0 | 0 | 0 | 114 | ||||
| 96 | R | 33.3 | Very low | 39.6 | Very low | 247 Ų | 247 | 136.1 Ų | 136.1 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | trans | -165 | 116.4 | 144.1 | -112.3 | 168.1 | 177.8 | -157.6 | -0.8 | 112.1 | ||||
| 97 | G | 34.5 | Very low | 39.3 | Very low | 81 Ų | 81 | 135.8 Ų | 135.8 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -74.5 | 149.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 98 | A | 32.4 | Very low | 39.9 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -171.6 | 121.4 | 139.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 99 | A | 40.1 | Very low | 40.6 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | 2.9 | 110.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 100 | A | 35.4 | Very low | 41 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -150.3 | 126.7 | 142.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | A102 | A100-A102 PolarHBondContact O-N 3.3Š| ||
| 101 | A | 36.3 | Very low | 41.8 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59 | 126.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A103 | A101-A103 PolarHBondContact O-N 3.41Š|
| 102 | A | 35.8 | Very low | 42.1 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 119.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109 | A100 | A100-A102 PolarHBondContact O-N 3.3Š|
| 103 | A | 44 | Very low | 43.1 | Very low | 87 Ų | 87 | 123.7 Ų | 123.7 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 137.7 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | A101 | A101-A103 PolarHBondContact O-N 3.41Š|
| 104 | P | 48.7 | Very low | 43.8 | Very low | 114 Ų | 114 | 124.2 Ų | 124.2 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 150.3 | 176.7 | 27.1 | -31.7 | 0 | 0 | 0 | 109.9 | ||
| 105 | P | 48.7 | Very low | 45.4 | Very low | 113 Ų | 113 | 121 Ų | 121 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 149.5 | 169.1 | 25.5 | -32.5 | 0 | 0 | 0 | 109.5 | ||
| 106 | P | 47 | Very low | 47.4 | Very low | 113 Ų | 113 | 116.4 Ų | 116.4 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 143.9 | 174.9 | 25.3 | -32.9 | 0 | 0 | 0 | 108.6 | I108 | P106-I108 PolarHBondContact O-N 3.09Å; P106-I108 VanDerWaalsContact O-N 3.09Å |
| 107 | P | 42.9 | Very low | 50 | Low | 110 Ų | 110 | 105 Ų | 105 | 71% | 0.714 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 125.4 | 178.3 | -5.8 | 18.1 | 0 | 0 | 0 | 107.2 | E109 | P107-E109 PolarHBondContact O-N 3.26Š|
| 108 | I | 51.6 | Low | 52.7 | Low | 155 Ų | 155 | 106.8 Ų | 106.8 | 80% | 0.795 | 67% | 0.665 | S | S | * | * | trans | -60 | 101.4 | 152.5 | -57.4 | 166.6 | 0 | 0 | 0 | 102.4 | P106 E110 | P106-I108 PolarHBondContact O-N 3.09Å; P106-I108 VanDerWaalsContact O-N 3.09Å; I108-E110 PolarHBondContact O-N 2.91Å | ||
| 109 | E | 53 | Low | 55.7 | Low | 135 Ų | 135 | 108.6 Ų | 108.6 | 63% | 0.631 | 65% | 0.654 | S | S | * | * | trans | -59.7 | 92.9 | 166.7 | -67.6 | -178.2 | 174.7 | 0 | 0 | 104.7 | P107 E111 | P107-E109 PolarHBondContact O-N 3.26Å; E109-E111 PolarHBondContact O-N 3.17Å | ||
| 110 | E | 50.6 | Low | 58.4 | Low | 179 Ų | 179 | 103.6 Ų | 103.6 | 84% | 0.836 | 61% | 0.612 | S | S | * | * | trans | -57.3 | 99 | 162 | -80.7 | -174.8 | 153 | 0 | 0 | 104.7 | I108 C112 | I108-E110 PolarHBondContact O-N 2.91Å; E110-C112 PolarHBondContact O-N 2.84Å | ||
| 111 | E | 52 | Low | 61.2 | Low | 74 Ų | 74 | 102.7 Ų | 102.7 | 35% | 0.346 | 59% | 0.593 | S | S | . | * | trans | -46.9 | 111.2 | 169.8 | -74.8 | 176.4 | 160.5 | 0 | 0 | 106.5 | E109 P113 R143 | E109-E111 PolarHBondContact O-N 3.17Å; E111-P113 WeakPolarHBondContact O-CD 3.35Å; E111-R143 WeakPolarHBondContact OE1-CD 3.49Å; E111-R143 VanDerWaalsContact OE1-CG 3.28Å; E111-R143 WeakPolarHBondContact OE1-CG 3.44Å; E111-R143 IonicContact OE1-CZ 2.83Å; E111-R143 IonicContact OE1-NE 3.47Å; E111-R143 PolarHBondContact OE1-NE 2.99Å; E111-R143 IonicContact OE1-NH1 3.68Å; E111-R143 PolarHBondContact OE1-NH1 3.36Å; E111-R143 IonicContact OE2-CZ 3.64Å; E111-R143 IonicContact OE2-NH1 3.74Å; E111-R143 PolarHBondContact OE2-NH1 3.03Å | ||
| 112 | C | 42.9 | Very low | 63.9 | Low | 54 Ų | 54 | 98.1 Ų | 98.1 | 37% | 0.365 | 56% | 0.556 | S | S | . | * | trans | -54.1 | 127.5 | -177 | -171.2 | 0 | 0 | 0 | 0 | 107.8 | E110 E114 D115 | E110-C112 PolarHBondContact O-N 2.84Å; C112-E114 PolarHBondContact O-N 3.31Å; C112-D115 PolarHBondContact O-N 3.35Å; C112-D115 VanDerWaalsContact O-N 3.1Å | ||
| 113 | P | 55.7 | Low | 66.6 | Low | 109 Ų | 109 | 96.3 Ų | 96.3 | 71% | 0.708 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -54.5 | -17.8 | 178.8 | -27.1 | 34.2 | 0 | 0 | 0 | 114 | E111 D115 | E111-P113 WeakPolarHBondContact O-CD 3.35Å; P113-D115 VanDerWaalsContact C-N 3.34Å |
| 114 | E | 55.5 | Low | 68.8 | Low | 175 Ų | 175 | 94.3 Ų | 94.3 | 82% | 0.818 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -75.2 | -15.2 | -178.1 | -65.5 | 173.3 | 160.3 | 0 | 0 | 114.1 | C112 | C112-E114 PolarHBondContact O-N 3.31Š|
| 115 | D | 71.4 | Confident | 70.7 | Confident | 116 Ų | 116 | 94 Ų | 94 | 62% | 0.62 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -97.8 | -10.7 | -179 | -73.1 | -49.4 | 0 | 0 | 0 | 114.3 | C112 P113 F137 | C112-D115 PolarHBondContact O-N 3.35Å; C112-D115 VanDerWaalsContact O-N 3.1Å; P113-D115 VanDerWaalsContact C-N 3.34Å; D115-F137 HydrophobicContact CB-CE2 4.44Å; D115-F137 WeakPolarHBondContact O-CD2 3.47Å |
| 116 | L | 83.8 | Confident | 72.8 | Confident | 71 Ų | 71 | 91.8 Ų | 91.8 | 37% | 0.372 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -72 | 141.6 | -177.7 | -76.8 | 163.9 | 0 | 0 | 0 | 111.8 | F137 F154 M158 | L116-F137 HydrophobicContact CD2-CE2 4.04Å; L116-F137 HydrophobicContact CD2-CZ 3.95Å; L116-F154 HydrophobicContact CD2-CE2 4.23Å; L116-M158 HydrophobicContact CB-CE 4.05Å; L116-M158 HydrophobicContact CD2-CE 4.4Å; L116-M158 HydrophobicContact CD2-SD 4.33Å |
| 117 | P | 87.6 | Confident | 74.9 | Confident | 9 Ų | 9 | 86.8 Ų | 86.8 | 6% | 0.058 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 152.5 | 172.7 | -27.1 | 33.3 | 0 | 0 | 0 | 113.2 | Q133 F137 F154 M158 | P117-Q133 HydrophobicContact CB-CB 3.92Å; P117-Q133 HydrophobicContact CG-CB 4.33Å; P117-F137 HydrophobicContact CG-CB 4.04Å; P117-F137 HydrophobicContact CG-CG 4.43Å; P117-F154 HydrophobicContact CG-CE1 4.24Å; P117-F154 HydrophobicContact CG-CZ 3.77Å; P117-M158 HydrophobicContact CB-CE 3.98Å; P117-M158 HydrophobicContact CG-CE 4.36Å; P117-M158 WeakPolarHBondContact O-CE 3.16Å |
| 118 | E | 91.9 | Very high | 77.2 | Confident | 117 Ų | 117 | 84.3 Ų | 84.3 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 140.5 | 171.7 | -169.2 | 175 | 179.6 | 0 | 0 | 110 | F120 M126 F130 | E118-F120 PolarHBondContact O-N 3.18Å; E118-M126 WeakPolarHBondContact OE2-CE 3.39Å; E118-F130 VanDerWaalsContact O-CD2 3.24Å; E118-F130 WeakPolarHBondContact O-CD2 3.32Å |
| 119 | K | 94.8 | Very high | 79.2 | Confident | 138 Ų | 138 | 79.6 Ų | 79.6 | 60% | 0.6 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 134.3 | -178.7 | -67.8 | -167.4 | 179.9 | -172.7 | 0 | 111.1 | M158 T160 | K119-M158 CarbonylContact C-O 3.59Å; K119-M158 VanDerWaalsContact CA-O 3.26Å; K119-M158 WeakPolarHBondContact CA-O 3.25Å; K119-T160 HydrophobicContact CB-CG2 3.91Å; K119-T160 HydrophobicContact CD-CG2 3.57Å; K119-T160 HydrophobicContact CG-CG2 4.25Å |
| 120 | F | 96.8 | Very high | 81.2 | Confident | 3 Ų | 3 | 73.4 Ų | 73.4 | 1% | 0.013 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -98.6 | 119.1 | -178.5 | -179.1 | -113.2 | 0 | 0 | 0 | 112 | E118 G122 N123 M126 L127 F130 M158 M159 T160 A163 M188 F192 | E118-F120 PolarHBondContact O-N 3.18Å; F120-G122 VanDerWaalsContact CZ-CA 3.47Å; F120-N123 WeakPolarHBondContact CE2-O 3.42Å; F120-M126 HydrophobicContact CD2-CB 4.32Å; F120-M126 HydrophobicContact CE2-CB 4.39Å; F120-L127 HydrophobicContact CE1-CD1 4.31Å; F120-L127 HydrophobicContact CE2-CB 4.1Å; F120-L127 HydrophobicContact CE2-CD1 4.37Å; F120-L127 HydrophobicContact CZ-CB 4.19Å; F120-L127 HydrophobicContact CZ-CD1 3.87Å; F120-F130 HydrophobicContact CB-CB 4.34Å; F120-F130 HydrophobicContact CB-CD1 3.85Å; F120-F130 HydrophobicContact CB-CD2 3.54Å; F120-F130 HydrophobicContact CB-CE1 3.97Å; F120-F130 HydrophobicContact CB-CE2 3.62Å; F120-F130 HydrophobicContact CB-CG 3.62Å; F120-F130 HydrophobicContact CB-CZ 3.83Å; F120-F130 HydrophobicContact CD1-CD1 4.35Å; F120-F130 HydrophobicContact CD1-CE1 4.44Å; F120-F130 HydrophobicContact CD2-CB 4.14Å; F120-F130 HydrophobicContact CD2-CD1 4.38Å; F120-F130 HydrophobicContact CD2-CG 4.2Å; F120-F130 HydrophobicContact CG-CB 4.45Å; F120-F130 AromaticContact CG-CD1 3.96Å; F120-F130 HydrophobicContact CG-CD1 3.96Å; F120-F130 HydrophobicContact CG-CD2 4.41Å; F120-F130 HydrophobicContact CG-CE1 4.3Å; F120-F130 HydrophobicContact CG-CG 4.01Å; F120-M158 PolarHBondContact N-O 3.06Å; F120-M159 HydrophobicContact CD1-CE 4.23Å; F120-M159 HydrophobicContact CD1-CG 4.45Å; F120-M159 CarbonylContact O-C 3.54Å; F120-M159 WeakPolarHBondContact O-CA 3.31Å; F120-T160 PolarHBondContact O-N 3.18Å; F120-T160 PolarHBondContact O-OG1 3.36Å; F120-A163 HydrophobicContact CD1-CB 3.52Å; F120-A163 HydrophobicContact CE1-CB 3.8Å; F120-A163 HydrophobicContact CG-CB 4.49Å; F120-A163 WeakPolarHBondContact O-CB 3.28Å; F120-M188 HydrophobicContact CD1-CE 3.4Å; F120-M188 VanDerWaalsContact CD1-CE 3.4Å; F120-M188 HydrophobicContact CE1-CE 3.4Å; F120-M188 VanDerWaalsContact CE1-CE 3.4Å; F120-M188 HydrophobicContact CG-CE 4.21Å; F120-M188 HydrophobicContact CZ-CE 4.19Å; F120-F192 HydrophobicContact CE1-CB 4.39Å; F120-F192 HydrophobicContact CE1-CD1 4.21Å; F120-F192 AromaticContact CE1-CD2 3.88Å; F120-F192 HydrophobicContact CE1-CD2 3.88Å; F120-F192 HydrophobicContact CE1-CE2 4.23Å; F120-F192 AromaticContact CE1-CG 3.89Å; F120-F192 HydrophobicContact CE1-CG 3.89Å; F120-F192 HydrophobicContact CZ-CB 4Å; F120-F192 HydrophobicContact CZ-CD1 4.25Å; F120-F192 HydrophobicContact CZ-CD2 4.35Å; F120-F192 AromaticContact CZ-CG 3.94Å; F120-F192 HydrophobicContact CZ-CG 3.94Å |
| 121 | D | 95.3 | Very high | 83.3 | Confident | 84 Ų | 84 | 67.1 Ų | 67.1 | 45% | 0.449 | 36% | 0.363 | S | S | . | . | trans | -92.9 | -12.1 | -177.8 | 72.2 | -19.7 | 0 | 0 | 0 | 114.2 | N123 T160 R162 A163 | D121-N123 VanDerWaalsContact OD1-CB 3.29Å; D121-N123 WeakPolarHBondContact OD1-CB 3.49Å; D121-N123 PolarHBondContact OD1-N 2.87Å; D121-T160 WeakPolarHBondContact CA-O 3.47Å; D121-T160 WeakPolarHBondContact CA-OG1 3.42Å; D121-R162 WeakPolarHBondContact O-CB 3.5Å; D121-R162 PolarHBondContact O-N 3.03Å; D121-R162 VanDerWaalsContact O-N 3.16Å; D121-A163 PolarHBondContact O-N 3.25Å; D121-A163 VanDerWaalsContact O-N 3.09Å | ||
| 122 | G | 93 | Very high | 85.3 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 7% | 0.072 | 36% | 0.364 | C | S | . | . | S | Bend | trans | 112 | 6.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F120 | F120-G122 VanDerWaalsContact CZ-CA 3.47Š|
| 123 | N | 92.2 | Very high | 87.7 | Confident | 60 Ų | 60 | 66.4 Ų | 66.4 | 32% | 0.321 | 36% | 0.362 | S | S | . | . | trans | -68.8 | 119.8 | 175.8 | -178.4 | -2.1 | 0 | 0 | 0 | 112 | F120 D121 D125 M126 L127 | F120-N123 WeakPolarHBondContact CE2-O 3.42Å; D121-N123 VanDerWaalsContact OD1-CB 3.29Å; D121-N123 WeakPolarHBondContact OD1-CB 3.49Å; D121-N123 PolarHBondContact OD1-N 2.87Å; N123-D125 PolarHBondContact O-N 3.14Å; N123-D125 VanDerWaalsContact O-N 3.16Å; N123-D125 PolarHBondContact OD1-N 3.21Å; N123-D125 VanDerWaalsContact OD1-N 3.09Å; N123-M126 HydrophobicContact CB-CB 4.38Å; N123-M126 HydrophobicContact CB-CG 4.29Å; N123-M126 PolarHBondContact O-N 3Å; N123-L127 PolarHBondContact O-N 3.23Å | ||
| 124 | P | 89.4 | Confident | 89.5 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 29% | 0.286 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56.4 | -32.1 | -179.8 | 22.3 | -34.7 | 0 | 0 | 0 | 114.2 | M126 L127 F192 D194 | P124-M126 VanDerWaalsContact C-N 3.28Å; P124-M126 PolarHBondContact O-N 3.29Å; P124-L127 WeakPolarHBondContact O-CB 3.44Å; P124-L127 PolarHBondContact O-N 3.47Å; P124-F192 WeakPolarHBondContact CA-O 3.44Å; P124-F192 VanDerWaalsContact CB-O 3.25Å; P124-F192 WeakPolarHBondContact CB-O 3.32Å; P124-D194 HydrophobicContact CB-CB 4.06Å |
| 125 | D | 88.5 | Confident | 91.3 | Very high | 108 Ų | 108 | 57.9 Ų | 57.9 | 58% | 0.578 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68.7 | -30 | -179.3 | -66.7 | -31.2 | 0 | 0 | 0 | 112 | N123 | N123-D125 PolarHBondContact O-N 3.14Å; N123-D125 VanDerWaalsContact O-N 3.16Å; N123-D125 PolarHBondContact OD1-N 3.21Å; N123-D125 VanDerWaalsContact OD1-N 3.09Å |
| 126 | M | 91.9 | Very high | 92.3 | Very high | 66 Ų | 66 | 56.2 Ų | 56.2 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -90.9 | -7 | -178.8 | -62.5 | -57.1 | -69.9 | 0 | 0 | 113.3 | E118 F120 N123 P124 P129 F130 | E118-M126 WeakPolarHBondContact OE2-CE 3.39Å; F120-M126 HydrophobicContact CD2-CB 4.32Å; F120-M126 HydrophobicContact CE2-CB 4.39Å; N123-M126 HydrophobicContact CB-CB 4.38Å; N123-M126 HydrophobicContact CB-CG 4.29Å; N123-M126 PolarHBondContact O-N 3Å; P124-M126 VanDerWaalsContact C-N 3.28Å; P124-M126 PolarHBondContact O-N 3.29Å; M126-P129 WeakPolarHBondContact O-CD 3.44Å; M126-F130 WeakPolarHBondContact O-CB 3.27Å; M126-F130 PolarHBondContact O-N 3.47Å |
| 127 | L | 92.4 | Very high | 92.7 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.8 | -51.4 | -175.8 | 176.3 | 66.3 | 0 | 0 | 0 | 112.5 | F120 N123 P124 F130 M131 M188 F192 E193 | F120-L127 HydrophobicContact CE1-CD1 4.31Å; F120-L127 HydrophobicContact CE2-CB 4.1Å; F120-L127 HydrophobicContact CE2-CD1 4.37Å; F120-L127 HydrophobicContact CZ-CB 4.19Å; F120-L127 HydrophobicContact CZ-CD1 3.87Å; N123-L127 PolarHBondContact O-N 3.23Å; P124-L127 WeakPolarHBondContact O-CB 3.44Å; P124-L127 PolarHBondContact O-N 3.47Å; L127-F130 PolarHBondContact O-N 3.41Å; L127-M131 HydrophobicContact CD1-CG 4.27Å; L127-M131 HydrophobicContact CD1-SD 4.09Å; L127-M131 HydrophobicContact CG-SD 4.24Å; L127-M131 VanDerWaalsContact O-CG 3.32Å; L127-M131 WeakPolarHBondContact O-CG 3.29Å; L127-M131 PolarHBondContact O-N 3.39Å; L127-M188 HydrophobicContact CD1-CE 3.65Å; L127-M188 HydrophobicContact CD1-CG 4.14Å; L127-M188 HydrophobicContact CD1-SD 4.46Å; L127-F192 HydrophobicContact CD1-CB 4.09Å; L127-F192 HydrophobicContact CD2-CB 3.97Å; L127-E193 HydrophobicContact CD2-CB 4.12Å |
| 128 | A | 91 | Very high | 92.8 | Very high | 58 Ų | 58 | 54.4 Ų | 54.4 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.1 | -46.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F130 M131 A132 | A128-F130 VanDerWaalsContact C-N 3.33Å; A128-F130 PolarHBondContact O-N 3.18Å; A128-M131 PolarHBondContact O-N 3Å; A128-A132 PolarHBondContact O-N 2.83Å; A128-A132 VanDerWaalsContact O-N 3.08Å |
| 129 | P | 92.8 | Very high | 92.8 | Very high | 55 Ų | 55 | 55.3 Ų | 55.3 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -55.1 | -45.6 | 171 | -26.8 | 33.9 | 0 | 0 | 0 | 113.2 | M126 A132 Q133 | M126-P129 WeakPolarHBondContact O-CD 3.44Å; P129-A132 PolarHBondContact O-N 2.83Å; P129-Q133 WeakPolarHBondContact O-CB 3.42Å; P129-Q133 VanDerWaalsContact O-CG 3.3Å; P129-Q133 WeakPolarHBondContact O-CG 3.45Å; P129-Q133 PolarHBondContact O-N 3.37Å |
| 130 | F | 95.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 2% | 0.022 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -47.7 | 179.5 | 171.1 | -104.6 | 0 | 0 | 0 | 112.6 | E118 F120 M126 L127 A128 A132 Q133 C134 V155 M158 M159 M188 | E118-F130 VanDerWaalsContact O-CD2 3.24Å; E118-F130 WeakPolarHBondContact O-CD2 3.32Å; F120-F130 HydrophobicContact CB-CB 4.34Å; F120-F130 HydrophobicContact CB-CD1 3.85Å; F120-F130 HydrophobicContact CB-CD2 3.54Å; F120-F130 HydrophobicContact CB-CE1 3.97Å; F120-F130 HydrophobicContact CB-CE2 3.62Å; F120-F130 HydrophobicContact CB-CG 3.62Å; F120-F130 HydrophobicContact CB-CZ 3.83Å; F120-F130 HydrophobicContact CD1-CD1 4.35Å; F120-F130 HydrophobicContact CD1-CE1 4.44Å; F120-F130 HydrophobicContact CD2-CB 4.14Å; F120-F130 HydrophobicContact CD2-CD1 4.38Å; F120-F130 HydrophobicContact CD2-CG 4.2Å; F120-F130 HydrophobicContact CG-CB 4.45Å; F120-F130 AromaticContact CG-CD1 3.96Å; F120-F130 HydrophobicContact CG-CD1 3.96Å; F120-F130 HydrophobicContact CG-CD2 4.41Å; F120-F130 HydrophobicContact CG-CE1 4.3Å; F120-F130 HydrophobicContact CG-CG 4.01Å; M126-F130 WeakPolarHBondContact O-CB 3.27Å; M126-F130 PolarHBondContact O-N 3.47Å; L127-F130 PolarHBondContact O-N 3.41Å; A128-F130 VanDerWaalsContact C-N 3.33Å; A128-F130 PolarHBondContact O-N 3.18Å; F130-A132 VanDerWaalsContact C-N 3.31Å; F130-A132 PolarHBondContact O-N 2.92Å; F130-Q133 PolarHBondContact O-N 3.32Å; F130-C134 VanDerWaalsContact CE2-SG 3.51Å; F130-C134 WeakPolarHBondContact CZ-SG 3.34Å; F130-C134 PolarHBondContact O-N 2.86Å; F130-C134 PolarHBondContact O-SG 3.09Å; F130-V155 HydrophobicContact CE1-CG1 3.89Å; F130-V155 HydrophobicContact CZ-CG1 4.04Å; F130-M158 HydrophobicContact CE2-CB 3.75Å; F130-M158 HydrophobicContact CZ-CB 3.99Å; F130-M159 HydrophobicContact CZ-CG 4.37Å; F130-M188 HydrophobicContact CD1-CE 3.53Å; F130-M188 HydrophobicContact CE1-CE 3.37Å; F130-M188 HydrophobicContact CE1-SD 4.17Å |
| 131 | M | 94.1 | Very high | 91.8 | Very high | 48 Ų | 48 | 57.8 Ų | 57.8 | 24% | 0.236 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 177.8 | -72 | -176.3 | 57.9 | 0 | 0 | 111.5 | L127 A128 C134 Q135 M185 | L127-M131 HydrophobicContact CD1-CG 4.27Å; L127-M131 HydrophobicContact CD1-SD 4.09Å; L127-M131 HydrophobicContact CG-SD 4.24Å; L127-M131 VanDerWaalsContact O-CG 3.32Å; L127-M131 WeakPolarHBondContact O-CG 3.29Å; L127-M131 PolarHBondContact O-N 3.39Å; A128-M131 PolarHBondContact O-N 3Å; M131-C134 PolarHBondContact O-N 3Å; M131-Q135 PolarHBondContact O-N 2.98Å; M131-M185 HydrophobicContact CB-CE 4.21Å; M131-M185 HydrophobicContact CE-CB 4.37Å; M131-M185 HydrophobicContact CE-CE 3.58Å; M131-M185 HydrophobicContact CG-CE 3.6Å; M131-M185 HydrophobicContact SD-CE 4.09Å |
| 132 | A | 93.9 | Very high | 91.2 | Very high | 45 Ų | 45 | 59.3 Ų | 59.3 | 37% | 0.372 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | A128 P129 F130 C134 Q135 I136 | A128-A132 PolarHBondContact O-N 2.83Å; A128-A132 VanDerWaalsContact O-N 3.08Å; P129-A132 PolarHBondContact O-N 2.83Å; F130-A132 VanDerWaalsContact C-N 3.31Å; F130-A132 PolarHBondContact O-N 2.92Å; A132-C134 PolarHBondContact O-N 2.8Å; A132-Q135 PolarHBondContact O-N 3.32Å; A132-I136 WeakPolarHBondContact O-CB 3.33Å; A132-I136 WeakPolarHBondContact O-CD1 3.33Å; A132-I136 VanDerWaalsContact O-CG1 3.23Å; A132-I136 WeakPolarHBondContact O-CG1 3.32Å; A132-I136 PolarHBondContact O-N 3.14Å |
| 133 | Q | 94 | Very high | 90.7 | Very high | 68 Ų | 68 | 65.2 Ų | 65.2 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 176.2 | -74.2 | 173.5 | -2.3 | 0 | 0 | 111.9 | P117 P129 F130 Q135 I136 F137 | P117-Q133 HydrophobicContact CB-CB 3.92Å; P117-Q133 HydrophobicContact CG-CB 4.33Å; P129-Q133 WeakPolarHBondContact O-CB 3.42Å; P129-Q133 VanDerWaalsContact O-CG 3.3Å; P129-Q133 WeakPolarHBondContact O-CG 3.45Å; P129-Q133 PolarHBondContact O-N 3.37Å; F130-Q133 PolarHBondContact O-N 3.32Å; Q133-Q135 VanDerWaalsContact C-N 3.33Å; Q133-Q135 PolarHBondContact O-N 2.92Å; Q133-I136 PolarHBondContact O-N 3.34Å; Q133-F137 WeakPolarHBondContact O-CB 3.28Å; Q133-F137 PolarHBondContact O-N 3.28Å |
| 134 | C | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.5 | -45 | 175.8 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | F130 M131 A132 F137 M138 F154 V155 | F130-C134 VanDerWaalsContact CE2-SG 3.51Å; F130-C134 WeakPolarHBondContact CZ-SG 3.34Å; F130-C134 PolarHBondContact O-N 2.86Å; F130-C134 PolarHBondContact O-SG 3.09Å; M131-C134 PolarHBondContact O-N 3Å; A132-C134 PolarHBondContact O-N 2.8Å; C134-F137 PolarHBondContact O-N 2.86Å; C134-M138 HydrophobicContact CB-CE 4.11Å; C134-M138 WeakPolarHBondContact O-CE 3.16Å; C134-M138 WeakPolarHBondContact O-CG 3.45Å; C134-M138 PolarHBondContact O-N 3.12Å; C134-F154 HydrophobicContact CB-CE1 4.24Å; C134-V155 HydrophobicContact CB-CG2 4.25Å |
| 135 | Q | 92.8 | Very high | 90.4 | Very high | 105 Ų | 105 | 66.2 Ų | 66.2 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.7 | -49.2 | 177.3 | -179 | 176.9 | -15 | 0 | 0 | 111.7 | M131 A132 Q133 F137 M138 E139 | M131-Q135 PolarHBondContact O-N 2.98Å; A132-Q135 PolarHBondContact O-N 3.32Å; Q133-Q135 VanDerWaalsContact C-N 3.33Å; Q133-Q135 PolarHBondContact O-N 2.92Å; Q135-F137 VanDerWaalsContact C-N 3.29Å; Q135-F137 PolarHBondContact O-N 2.92Å; Q135-M138 PolarHBondContact O-N 3.48Å; Q135-E139 HydrophobicContact CG-CG 4.46Å; Q135-E139 VanDerWaalsContact CG-OE1 3.31Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.33Å; Q135-E139 PolarHBondContact NE2-OE1 2.95Å; Q135-E139 WeakPolarHBondContact O-CG 3.47Å; Q135-E139 PolarHBondContact O-N 3.24Å |
| 136 | I | 92.1 | Very high | 90.3 | Very high | 80 Ų | 80 | 64.7 Ų | 64.7 | 41% | 0.41 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 179.2 | -69.9 | 164.7 | 0 | 0 | 0 | 111 | A132 Q133 E139 K140 | A132-I136 WeakPolarHBondContact O-CB 3.33Å; A132-I136 WeakPolarHBondContact O-CD1 3.33Å; A132-I136 VanDerWaalsContact O-CG1 3.23Å; A132-I136 WeakPolarHBondContact O-CG1 3.32Å; A132-I136 PolarHBondContact O-N 3.14Å; Q133-I136 PolarHBondContact O-N 3.34Å; I136-E139 PolarHBondContact O-N 2.9Å; I136-K140 HydrophobicContact CG2-CD 3.84Å; I136-K140 HydrophobicContact CG2-CG 4.47Å; I136-K140 WeakPolarHBondContact O-CB 3.33Å; I136-K140 WeakPolarHBondContact O-CG 3.5Å; I136-K140 PolarHBondContact O-N 3.42Å |
| 137 | F | 91.9 | Very high | 90.4 | Very high | 18 Ų | 18 | 65 Ų | 65 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -49.3 | 176.3 | -179.9 | -93.4 | 0 | 0 | 0 | 111.1 | D115 L116 P117 Q133 C134 Q135 E139 K140 S141 F145 F154 | D115-F137 HydrophobicContact CB-CE2 4.44Å; D115-F137 WeakPolarHBondContact O-CD2 3.47Å; L116-F137 HydrophobicContact CD2-CE2 4.04Å; L116-F137 HydrophobicContact CD2-CZ 3.95Å; P117-F137 HydrophobicContact CG-CB 4.04Å; P117-F137 HydrophobicContact CG-CG 4.43Å; Q133-F137 WeakPolarHBondContact O-CB 3.28Å; Q133-F137 PolarHBondContact O-N 3.28Å; C134-F137 PolarHBondContact O-N 2.86Å; Q135-F137 VanDerWaalsContact C-N 3.29Å; Q135-F137 PolarHBondContact O-N 2.92Å; F137-E139 VanDerWaalsContact C-N 3.26Å; F137-E139 PolarHBondContact O-N 2.96Å; F137-K140 PolarHBondContact O-N 3.48Å; F137-S141 WeakPolarHBondContact O-CB 3.37Å; F137-S141 PolarHBondContact O-N 2.91Å; F137-F145 HydrophobicContact CD1-CE2 4.37Å; F137-F145 HydrophobicContact CD1-CZ 4.26Å; F137-F145 HydrophobicContact CE1-CE2 4.2Å; F137-F145 HydrophobicContact CE1-CZ 4.02Å; F137-F154 HydrophobicContact CB-CZ 4.29Å; F137-F154 AromaticContact CD1-CE1 3.79Å; F137-F154 HydrophobicContact CD1-CE1 3.79Å; F137-F154 AromaticContact CD1-CE2 3.62Å; F137-F154 HydrophobicContact CD1-CE2 3.62Å; F137-F154 AromaticContact CD1-CZ 3.16Å; F137-F154 HydrophobicContact CD1-CZ 3.16Å; F137-F154 HydrophobicContact CE1-CD2 4.29Å; F137-F154 HydrophobicContact CE1-CE1 4.45Å; F137-F154 AromaticContact CE1-CE2 3.49Å; F137-F154 HydrophobicContact CE1-CE2 3.49Å; F137-F154 VanDerWaalsContact CE1-CE2 3.49Å; F137-F154 AromaticContact CE1-CZ 3.58Å; F137-F154 HydrophobicContact CE1-CZ 3.58Å; F137-F154 HydrophobicContact CG-CE1 4.5Å; F137-F154 AromaticContact CG-CZ 3.82Å; F137-F154 HydrophobicContact CG-CZ 3.82Å; F137-F154 HydrophobicContact CZ-CE2 4.29Å |
| 138 | M | 91.7 | Very high | 90.6 | Very high | 24 Ų | 24 | 66.4 Ų | 66.4 | 12% | 0.118 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62 | -33.3 | 178.9 | -72.4 | -175.6 | -84.6 | 0 | 0 | 113 | C134 Q135 F145 R151 F154 V155 Y181 | C134-M138 HydrophobicContact CB-CE 4.11Å; C134-M138 WeakPolarHBondContact O-CE 3.16Å; C134-M138 WeakPolarHBondContact O-CG 3.45Å; C134-M138 PolarHBondContact O-N 3.12Å; Q135-M138 PolarHBondContact O-N 3.48Å; M138-F145 HydrophobicContact CB-CB 4.44Å; M138-F145 HydrophobicContact CB-CD1 4.43Å; M138-F145 HydrophobicContact CB-CD2 3.91Å; M138-F145 HydrophobicContact CB-CE2 4.21Å; M138-F145 HydrophobicContact CB-CG 4.02Å; M138-F145 HydrophobicContact CG-CD1 3.67Å; M138-F145 HydrophobicContact CG-CD2 3.86Å; M138-F145 HydrophobicContact CG-CE1 3.69Å; M138-F145 HydrophobicContact CG-CE2 3.86Å; M138-F145 HydrophobicContact CG-CG 3.76Å; M138-F145 HydrophobicContact CG-CZ 3.78Å; M138-F145 HydrophobicContact SD-CD1 3.8Å; M138-F145 HydrophobicContact SD-CE1 4.08Å; M138-F145 HydrophobicContact SD-CG 4.24Å; M138-R151 HydrophobicContact SD-CB 3.94Å; M138-R151 HydrophobicContact SD-CG 3.79Å; M138-F154 HydrophobicContact CE-CD1 4.49Å; M138-F154 HydrophobicContact CG-CD1 4.15Å; M138-F154 HydrophobicContact CG-CE1 4.23Å; M138-F154 HydrophobicContact SD-CD1 4.25Å; M138-V155 HydrophobicContact CE-CG2 4.4Å; M138-Y181 HydrophobicContact CE-CE2 4.17Å; M138-Y181 WeakPolarHBondContact CE-OH 3.46Å |
| 139 | E | 90.1 | Very high | 90.8 | Very high | 136 Ų | 136 | 69.7 Ų | 69.7 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -73 | -32.2 | 176.7 | -74.3 | 174.2 | -171.6 | 0 | 0 | 113.3 | Q135 I136 F137 | Q135-E139 HydrophobicContact CG-CG 4.46Å; Q135-E139 VanDerWaalsContact CG-OE1 3.31Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.33Å; Q135-E139 PolarHBondContact NE2-OE1 2.95Å; Q135-E139 WeakPolarHBondContact O-CG 3.47Å; Q135-E139 PolarHBondContact O-N 3.24Å; I136-E139 PolarHBondContact O-N 2.9Å; F137-E139 VanDerWaalsContact C-N 3.26Å; F137-E139 PolarHBondContact O-N 2.96Å |
| 140 | K | 87.1 | Confident | 90.9 | Very high | 166 Ų | 166 | 69.8 Ų | 69.8 | 72% | 0.722 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -92.2 | -25.7 | -178 | -71 | 178 | 177.2 | 178.7 | 0 | 114 | I136 F137 | I136-K140 HydrophobicContact CG2-CD 3.84Å; I136-K140 HydrophobicContact CG2-CG 4.47Å; I136-K140 WeakPolarHBondContact O-CB 3.33Å; I136-K140 WeakPolarHBondContact O-CG 3.5Å; I136-K140 PolarHBondContact O-N 3.42Å; F137-K140 PolarHBondContact O-N 3.48Å |
| 141 | S | 84.9 | Confident | 90.9 | Very high | 27 Ų | 27 | 73.1 Ų | 73.1 | 19% | 0.189 | 37% | 0.367 | C | S | . | . | trans | -65.2 | 142.2 | -175 | 162 | 0 | 0 | 0 | 0 | 111.5 | F137 R143 F145 | F137-S141 WeakPolarHBondContact O-CB 3.37Å; F137-S141 PolarHBondContact O-N 2.91Å; S141-R143 PolarHBondContact O-N 2.91Å; S141-R143 WeakPolarHBondContact OG-CB 3.24Å; S141-R143 VanDerWaalsContact OG-CG 3.3Å; S141-R143 WeakPolarHBondContact OG-CG 3.47Å; S141-R143 PolarHBondContact OG-N 2.65Å; S141-F145 WeakPolarHBondContact OG-CE2 3.4Å | ||
| 142 | T | 81.4 | Confident | 91 | Very high | 116 Ų | 116 | 70.8 Ų | 70.8 | 71% | 0.712 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -74.8 | -15.8 | 171.4 | 53.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 143 | R | 83.6 | Confident | 91 | Very high | 132 Ų | 132 | 70.9 Ų | 70.9 | 50% | 0.498 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -63.4 | 148.4 | 174.4 | -55.4 | 179.7 | 111.4 | 135.7 | -4.7 | 112.7 | E111 S141 F145 | E111-R143 WeakPolarHBondContact OE1-CD 3.49Å; E111-R143 VanDerWaalsContact OE1-CG 3.28Å; E111-R143 WeakPolarHBondContact OE1-CG 3.44Å; E111-R143 IonicContact OE1-CZ 2.83Å; E111-R143 IonicContact OE1-NE 3.47Å; E111-R143 PolarHBondContact OE1-NE 2.99Å; E111-R143 IonicContact OE1-NH1 3.68Å; E111-R143 PolarHBondContact OE1-NH1 3.36Å; E111-R143 IonicContact OE2-CZ 3.64Å; E111-R143 IonicContact OE2-NH1 3.74Å; E111-R143 PolarHBondContact OE2-NH1 3.03Å; S141-R143 PolarHBondContact O-N 2.91Å; S141-R143 WeakPolarHBondContact OG-CB 3.24Å; S141-R143 VanDerWaalsContact OG-CG 3.3Å; S141-R143 WeakPolarHBondContact OG-CG 3.47Å; S141-R143 PolarHBondContact OG-N 2.65Å; R143-F145 HydrophobicContact CB-CD2 4.28Å; R143-F145 HydrophobicContact CB-CE2 3.9Å; R143-F145 HydrophobicContact CB-CZ 4.47Å; R143-F145 PolarHBondContact O-N 3.35Å |
| 144 | D | 84.9 | Confident | 91.1 | Very high | 107 Ų | 107 | 68.5 Ų | 68.5 | 57% | 0.572 | 34% | 0.342 | S | S | * | . | trans | -74.9 | 107.9 | 173.3 | -174.4 | 15.3 | 0 | 0 | 0 | 112.1 | S146 | D144-S146 WeakPolarHBondContact OD1-CB 3.47Å; D144-S146 PolarHBondContact OD1-N 3.45Å; D144-S146 PolarHBondContact OD1-OG 3.36Å; D144-S146 PolarHBondContact OD2-OG 3.47Å | ||
| 145 | F | 89.3 | Confident | 91.2 | Very high | 17 Ų | 17 | 68.5 Ų | 68.5 | 8% | 0.075 | 34% | 0.342 | C | S | . | . | trans | -104.3 | 26.4 | 170.2 | -72.4 | -74.4 | 0 | 0 | 0 | 112.3 | F137 M138 S141 R143 V147 V150 R151 F154 | F137-F145 HydrophobicContact CD1-CE2 4.37Å; F137-F145 HydrophobicContact CD1-CZ 4.26Å; F137-F145 HydrophobicContact CE1-CE2 4.2Å; F137-F145 HydrophobicContact CE1-CZ 4.02Å; M138-F145 HydrophobicContact CB-CB 4.44Å; M138-F145 HydrophobicContact CB-CD1 4.43Å; M138-F145 HydrophobicContact CB-CD2 3.91Å; M138-F145 HydrophobicContact CB-CE2 4.21Å; M138-F145 HydrophobicContact CB-CG 4.02Å; M138-F145 HydrophobicContact CG-CD1 3.67Å; M138-F145 HydrophobicContact CG-CD2 3.86Å; M138-F145 HydrophobicContact CG-CE1 3.69Å; M138-F145 HydrophobicContact CG-CE2 3.86Å; M138-F145 HydrophobicContact CG-CG 3.76Å; M138-F145 HydrophobicContact CG-CZ 3.78Å; M138-F145 HydrophobicContact SD-CD1 3.8Å; M138-F145 HydrophobicContact SD-CE1 4.08Å; M138-F145 HydrophobicContact SD-CG 4.24Å; S141-F145 WeakPolarHBondContact OG-CE2 3.4Å; R143-F145 HydrophobicContact CB-CD2 4.28Å; R143-F145 HydrophobicContact CB-CE2 3.9Å; R143-F145 HydrophobicContact CB-CZ 4.47Å; R143-F145 PolarHBondContact O-N 3.35Å; F145-V147 VanDerWaalsContact C-N 3.27Å; F145-V147 PolarHBondContact O-N 2.93Å; F145-V150 HydrophobicContact CD1-CG1 4.01Å; F145-V150 HydrophobicContact CE1-CG1 4.1Å; F145-R151 HydrophobicContact CB-CG 4.28Å; F145-R151 HydrophobicContact CD1-CG 4.05Å; F145-R151 PolarHBondContact O-NE 3.34Å; F145-R151 PolarHBondContact O-NH2 3.06Å; F145-F154 HydrophobicContact CE1-CB 3.89Å; F145-F154 HydrophobicContact CE1-CD1 4.26Å; F145-F154 AromaticContact CE1-CG 3.98Å; F145-F154 HydrophobicContact CE1-CG 3.98Å; F145-F154 HydrophobicContact CZ-CD1 4.48Å; F145-F154 HydrophobicContact CZ-CD2 4.38Å; F145-F154 HydrophobicContact CZ-CG 4.2Å | ||
| 146 | S | 87.8 | Confident | 91.3 | Very high | 76 Ų | 76 | 65.1 Ų | 65.1 | 53% | 0.531 | 33% | 0.329 | S | S | . | . | trans | -68.3 | -27.5 | 175.7 | 65 | 0 | 0 | 0 | 0 | 112.9 | D144 | D144-S146 WeakPolarHBondContact OD1-CB 3.47Å; D144-S146 PolarHBondContact OD1-N 3.45Å; D144-S146 PolarHBondContact OD1-OG 3.36Å; D144-S146 PolarHBondContact OD2-OG 3.47Å | ||
| 147 | V | 93.7 | Very high | 91.4 | Very high | 73 Ų | 73 | 65 Ų | 65 | 44% | 0.442 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -97.4 | 124.1 | -175.7 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | F145 R149 V150 R151 | F145-V147 VanDerWaalsContact C-N 3.27Å; F145-V147 PolarHBondContact O-N 2.93Å; V147-R149 HydrophobicContact CG1-CB 4.08Å; V147-R149 PolarHBondContact O-N 3.08Å; V147-V150 HydrophobicContact CB-CG2 4.03Å; V147-V150 HydrophobicContact CG1-CG2 4.47Å; V147-V150 WeakPolarHBondContact O-CB 3.29Å; V147-V150 PolarHBondContact O-N 3.5Å; V147-R151 PolarHBondContact O-N 3.11Å |
| 148 | D | 95.5 | Very high | 91.6 | Very high | 38 Ų | 38 | 64.8 Ų | 64.8 | 20% | 0.203 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.9 | -35.7 | -179.6 | -87.2 | 5.6 | 0 | 0 | 0 | 113.6 | V150 R151 V152 N180 Y181 | D148-V150 VanDerWaalsContact C-N 3.28Å; D148-V150 PolarHBondContact O-N 2.85Å; D148-R151 WeakPolarHBondContact O-CB 3.25Å; D148-R151 PolarHBondContact O-N 2.8Å; D148-R151 IonicContact OD1-CZ 2.7Å; D148-R151 IonicContact OD1-NH1 2.93Å; D148-R151 PolarHBondContact OD1-NH1 3.23Å; D148-V152 WeakPolarHBondContact O-CG2 3.31Å; D148-V152 PolarHBondContact O-N 2.96Å; D148-N180 WeakPolarHBondContact OD2-CA 3.44Å; D148-Y181 PolarHBondContact OD2-N 3.22Å |
| 149 | R | 95.1 | Very high | 91.9 | Very high | 127 Ų | 127 | 64.1 Ų | 64.1 | 48% | 0.479 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 174.3 | -175.7 | 177.8 | -176.1 | -81.3 | -0.2 | 112.8 | V147 V152 C153 M178 | V147-R149 HydrophobicContact CG1-CB 4.08Å; V147-R149 PolarHBondContact O-N 3.08Å; R149-V152 PolarHBondContact O-N 3.24Å; R149-C153 WeakPolarHBondContact O-CB 3.17Å; R149-C153 PolarHBondContact O-N 3.42Å; R149-C153 PolarHBondContact O-SG 3.16Å; R149-M178 WeakPolarHBondContact CA-O 3.01Å; R149-M178 HydrophobicContact CG-CG 4.09Å; R149-M178 HydrophobicContact CG-SD 4.31Å |
| 150 | V | 95 | Very high | 92.2 | Very high | 58 Ų | 58 | 59.8 Ų | 59.8 | 35% | 0.352 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 178.4 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | F145 V147 D148 C153 F154 | F145-V150 HydrophobicContact CD1-CG1 4.01Å; F145-V150 HydrophobicContact CE1-CG1 4.1Å; V147-V150 HydrophobicContact CB-CG2 4.03Å; V147-V150 HydrophobicContact CG1-CG2 4.47Å; V147-V150 WeakPolarHBondContact O-CB 3.29Å; V147-V150 PolarHBondContact O-N 3.5Å; D148-V150 VanDerWaalsContact C-N 3.28Å; D148-V150 PolarHBondContact O-N 2.85Å; V150-C153 PolarHBondContact O-N 3.21Å; V150-F154 WeakPolarHBondContact O-CB 3.27Å; V150-F154 PolarHBondContact O-N 3.36Å |
| 151 | R | 95.6 | Very high | 92.6 | Very high | 74 Ų | 74 | 53.8 Ų | 53.8 | 28% | 0.279 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 176.1 | -58.1 | 178.9 | 176.5 | 150.2 | -4.7 | 112.1 | M138 F145 V147 D148 F154 V155 Y181 | M138-R151 HydrophobicContact SD-CB 3.94Å; M138-R151 HydrophobicContact SD-CG 3.79Å; F145-R151 HydrophobicContact CB-CG 4.28Å; F145-R151 HydrophobicContact CD1-CG 4.05Å; F145-R151 PolarHBondContact O-NE 3.34Å; F145-R151 PolarHBondContact O-NH2 3.06Å; V147-R151 PolarHBondContact O-N 3.11Å; D148-R151 WeakPolarHBondContact O-CB 3.25Å; D148-R151 PolarHBondContact O-N 2.8Å; D148-R151 IonicContact OD1-CZ 2.7Å; D148-R151 IonicContact OD1-NH1 2.93Å; D148-R151 PolarHBondContact OD1-NH1 3.23Å; R151-F154 PolarHBondContact O-N 2.89Å; R151-V155 WeakPolarHBondContact O-CG2 3.44Å; R151-V155 PolarHBondContact O-N 3.46Å; R151-Y181 HydrophobicContact CB-CD2 3.43Å; R151-Y181 VanDerWaalsContact CB-CD2 3.43Å; R151-Y181 HydrophobicContact CB-CE2 3.92Å; R151-Y181 HydrophobicContact CB-CG 3.82Å; R151-Y181 HydrophobicContact CG-CD2 4.46Å; R151-Y181 HydrophobicContact CG-CG 4.48Å |
| 152 | V | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 179 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | D148 R149 F154 V155 T156 L171 M178 Y181 F184 | D148-V152 WeakPolarHBondContact O-CG2 3.31Å; D148-V152 PolarHBondContact O-N 2.96Å; R149-V152 PolarHBondContact O-N 3.24Å; V152-F154 VanDerWaalsContact C-N 3.3Å; V152-F154 PolarHBondContact O-N 2.84Å; V152-V155 PolarHBondContact O-N 3.37Å; V152-T156 HydrophobicContact CG1-CG2 4.4Å; V152-T156 WeakPolarHBondContact O-CB 3.48Å; V152-T156 WeakPolarHBondContact O-CG2 3.42Å; V152-T156 PolarHBondContact O-N 3.45Å; V152-T156 PolarHBondContact O-OG1 2.86Å; V152-L171 HydrophobicContact CG1-CD1 4.19Å; V152-L171 HydrophobicContact CG1-CD2 4.03Å; V152-M178 HydrophobicContact CG1-SD 4.09Å; V152-Y181 HydrophobicContact CG2-CD2 4.2Å; V152-F184 HydrophobicContact CG1-CD1 4.32Å; V152-F184 HydrophobicContact CG1-CD2 4.15Å; V152-F184 HydrophobicContact CG1-CE2 4.38Å; V152-F184 HydrophobicContact CG1-CG 4.12Å; V152-F184 HydrophobicContact CG2-CB 4.08Å; V152-F184 HydrophobicContact CG2-CD1 4.39Å; V152-F184 HydrophobicContact CG2-CG 4.23Å |
| 153 | C | 94.6 | Very high | 93.8 | Very high | 47 Ų | 47 | 55.1 Ų | 55.1 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 174.1 | -74.5 | 0 | 0 | 0 | 0 | 112.3 | R149 V150 T156 S157 | R149-C153 WeakPolarHBondContact O-CB 3.17Å; R149-C153 PolarHBondContact O-N 3.42Å; R149-C153 PolarHBondContact O-SG 3.16Å; V150-C153 PolarHBondContact O-N 3.21Å; C153-T156 WeakPolarHBondContact CA-OG1 3.14Å; C153-T156 PolarHBondContact O-OG1 3.46Å; C153-S157 WeakPolarHBondContact O-CB 3.17Å; C153-S157 PolarHBondContact O-N 2.81Å |
| 154 | F | 95 | Very high | 94.5 | Very high | 17 Ų | 17 | 50.2 Ų | 50.2 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -52.9 | 176.3 | 171.1 | -104.5 | 0 | 0 | 0 | 111.9 | L116 P117 C134 F137 M138 F145 V150 R151 V152 T156 S157 M158 | L116-F154 HydrophobicContact CD2-CE2 4.23Å; P117-F154 HydrophobicContact CG-CE1 4.24Å; P117-F154 HydrophobicContact CG-CZ 3.77Å; C134-F154 HydrophobicContact CB-CE1 4.24Å; F137-F154 HydrophobicContact CB-CZ 4.29Å; F137-F154 AromaticContact CD1-CE1 3.79Å; F137-F154 HydrophobicContact CD1-CE1 3.79Å; F137-F154 AromaticContact CD1-CE2 3.62Å; F137-F154 HydrophobicContact CD1-CE2 3.62Å; F137-F154 AromaticContact CD1-CZ 3.16Å; F137-F154 HydrophobicContact CD1-CZ 3.16Å; F137-F154 HydrophobicContact CE1-CD2 4.29Å; F137-F154 HydrophobicContact CE1-CE1 4.45Å; F137-F154 AromaticContact CE1-CE2 3.49Å; F137-F154 HydrophobicContact CE1-CE2 3.49Å; F137-F154 VanDerWaalsContact CE1-CE2 3.49Å; F137-F154 AromaticContact CE1-CZ 3.58Å; F137-F154 HydrophobicContact CE1-CZ 3.58Å; F137-F154 HydrophobicContact CG-CE1 4.5Å; F137-F154 AromaticContact CG-CZ 3.82Å; F137-F154 HydrophobicContact CG-CZ 3.82Å; F137-F154 HydrophobicContact CZ-CE2 4.29Å; M138-F154 HydrophobicContact CE-CD1 4.49Å; M138-F154 HydrophobicContact CG-CD1 4.15Å; M138-F154 HydrophobicContact CG-CE1 4.23Å; M138-F154 HydrophobicContact SD-CD1 4.25Å; F145-F154 HydrophobicContact CE1-CB 3.89Å; F145-F154 HydrophobicContact CE1-CD1 4.26Å; F145-F154 AromaticContact CE1-CG 3.98Å; F145-F154 HydrophobicContact CE1-CG 3.98Å; F145-F154 HydrophobicContact CZ-CD1 4.48Å; F145-F154 HydrophobicContact CZ-CD2 4.38Å; F145-F154 HydrophobicContact CZ-CG 4.2Å; V150-F154 WeakPolarHBondContact O-CB 3.27Å; V150-F154 PolarHBondContact O-N 3.36Å; R151-F154 PolarHBondContact O-N 2.89Å; V152-F154 VanDerWaalsContact C-N 3.3Å; V152-F154 PolarHBondContact O-N 2.84Å; F154-T156 VanDerWaalsContact C-N 3.25Å; F154-T156 PolarHBondContact O-N 2.86Å; F154-S157 PolarHBondContact O-N 2.87Å; F154-S157 VanDerWaalsContact O-N 3.12Å; F154-S157 PolarHBondContact O-OG 3.44Å; F154-M158 HydrophobicContact CD2-CG 4.47Å; F154-M158 HydrophobicContact CE2-CG 4.06Å; F154-M158 HydrophobicContact CE2-SD 4.36Å; F154-M158 HydrophobicContact CZ-CG 4.09Å; F154-M158 WeakPolarHBondContact O-CG 3.47Å; F154-M158 PolarHBondContact O-N 3.18Å |
| 155 | V | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 179.7 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | F130 C134 M138 R151 V152 S157 M158 M159 Y181 F184 M185 M188 | F130-V155 HydrophobicContact CE1-CG1 3.89Å; F130-V155 HydrophobicContact CZ-CG1 4.04Å; C134-V155 HydrophobicContact CB-CG2 4.25Å; M138-V155 HydrophobicContact CE-CG2 4.4Å; R151-V155 WeakPolarHBondContact O-CG2 3.44Å; R151-V155 PolarHBondContact O-N 3.46Å; V152-V155 PolarHBondContact O-N 3.37Å; V155-S157 PolarHBondContact O-N 2.71Å; V155-M158 PolarHBondContact O-N 3.03Å; V155-M159 WeakPolarHBondContact O-CG 3.25Å; V155-M159 PolarHBondContact O-N 3.43Å; V155-Y181 HydrophobicContact CG2-CE2 3.92Å; V155-F184 HydrophobicContact CB-CE1 4.37Å; V155-F184 HydrophobicContact CG1-CE1 3.92Å; V155-M185 HydrophobicContact CG1-SD 4.21Å; V155-M185 HydrophobicContact CG2-SD 4.27Å; V155-M188 HydrophobicContact CG1-SD 4.22Å |
| 156 | T | 95.8 | Very high | 95.4 | Very high | 35 Ų | 35 | 54.7 Ų | 54.7 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.4 | -31.3 | 178.3 | 52.7 | 0 | 0 | 0 | 0 | 114.1 | V152 C153 F154 M158 M159 A167 L171 F184 | V152-T156 HydrophobicContact CG1-CG2 4.4Å; V152-T156 WeakPolarHBondContact O-CB 3.48Å; V152-T156 WeakPolarHBondContact O-CG2 3.42Å; V152-T156 PolarHBondContact O-N 3.45Å; V152-T156 PolarHBondContact O-OG1 2.86Å; C153-T156 WeakPolarHBondContact CA-OG1 3.14Å; C153-T156 PolarHBondContact O-OG1 3.46Å; F154-T156 VanDerWaalsContact C-N 3.25Å; F154-T156 PolarHBondContact O-N 2.86Å; T156-M158 PolarHBondContact O-N 3.42Å; T156-M159 HydrophobicContact CG2-SD 4.22Å; T156-M159 WeakPolarHBondContact O-CB 3.49Å; T156-M159 PolarHBondContact O-N 3.33Å; T156-A167 HydrophobicContact CG2-CB 3.88Å; T156-L171 HydrophobicContact CG2-CD1 3.83Å; T156-F184 HydrophobicContact CG2-CE1 4.25Å; T156-F184 HydrophobicContact CG2-CE2 4.16Å; T156-F184 HydrophobicContact CG2-CZ 3.57Å |
| 157 | S | 95 | Very high | 95.8 | Very high | 76 Ų | 76 | 51.2 Ų | 51.2 | 53% | 0.531 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.9 | -24.7 | 174 | 75.7 | 0 | 0 | 0 | 0 | 112.7 | C153 F154 V155 M159 | C153-S157 WeakPolarHBondContact O-CB 3.17Å; C153-S157 PolarHBondContact O-N 2.81Å; F154-S157 PolarHBondContact O-N 2.87Å; F154-S157 VanDerWaalsContact O-N 3.12Å; F154-S157 PolarHBondContact O-OG 3.44Å; V155-S157 PolarHBondContact O-N 2.71Å; S157-M159 VanDerWaalsContact C-N 3.32Å |
| 158 | M | 95.9 | Very high | 95.9 | Very high | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.069 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -2.3 | 174.7 | -57 | -53.1 | -69.7 | 0 | 0 | 113.4 | L116 P117 K119 F120 F130 F154 V155 T156 | L116-M158 HydrophobicContact CB-CE 4.05Å; L116-M158 HydrophobicContact CD2-CE 4.4Å; L116-M158 HydrophobicContact CD2-SD 4.33Å; P117-M158 HydrophobicContact CB-CE 3.98Å; P117-M158 HydrophobicContact CG-CE 4.36Å; P117-M158 WeakPolarHBondContact O-CE 3.16Å; K119-M158 CarbonylContact C-O 3.59Å; K119-M158 VanDerWaalsContact CA-O 3.26Å; K119-M158 WeakPolarHBondContact CA-O 3.25Å; F120-M158 PolarHBondContact N-O 3.06Å; F130-M158 HydrophobicContact CE2-CB 3.75Å; F130-M158 HydrophobicContact CZ-CB 3.99Å; F154-M158 HydrophobicContact CD2-CG 4.47Å; F154-M158 HydrophobicContact CE2-CG 4.06Å; F154-M158 HydrophobicContact CE2-SD 4.36Å; F154-M158 HydrophobicContact CZ-CG 4.09Å; F154-M158 WeakPolarHBondContact O-CG 3.47Å; F154-M158 PolarHBondContact O-N 3.18Å; V155-M158 PolarHBondContact O-N 3.03Å; T156-M158 PolarHBondContact O-N 3.42Å |
| 159 | M | 96.7 | Very high | 95.9 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -89.6 | 148.9 | 175.9 | -64.9 | 169.8 | 96.8 | 0 | 0 | 111.6 | F120 F130 V155 T156 S157 A163 A164 W166 A167 F184 M188 F192 | F120-M159 HydrophobicContact CD1-CE 4.23Å; F120-M159 HydrophobicContact CD1-CG 4.45Å; F120-M159 CarbonylContact O-C 3.54Å; F120-M159 WeakPolarHBondContact O-CA 3.31Å; F130-M159 HydrophobicContact CZ-CG 4.37Å; V155-M159 WeakPolarHBondContact O-CG 3.25Å; V155-M159 PolarHBondContact O-N 3.43Å; T156-M159 HydrophobicContact CG2-SD 4.22Å; T156-M159 WeakPolarHBondContact O-CB 3.49Å; T156-M159 PolarHBondContact O-N 3.33Å; S157-M159 VanDerWaalsContact C-N 3.32Å; M159-A163 HydrophobicContact CB-CB 4.03Å; M159-A163 HydrophobicContact CE-CB 3.63Å; M159-A163 HydrophobicContact CG-CB 4.24Å; M159-A164 HydrophobicContact CB-CB 4.3Å; M159-W166 HydrophobicContact CE-CE3 3.75Å; M159-W166 HydrophobicContact CE-CZ3 3.78Å; M159-A167 HydrophobicContact CE-CB 4.16Å; M159-A167 HydrophobicContact SD-CB 3.78Å; M159-F184 HydrophobicContact SD-CZ 4.37Å; M159-M188 HydrophobicContact CE-CE 3.9Å; M159-M188 HydrophobicContact CE-SD 4.21Å; M159-F192 HydrophobicContact CE-CE2 4.09Å |
| 160 | T | 96.6 | Very high | 95.9 | Very high | 46 Ų | 46 | 47 Ų | 47 | 28% | 0.282 | 25% | 0.251 | S | S | . | . | trans | -138.1 | 170.4 | 177.4 | 60.1 | 0 | 0 | 0 | 0 | 111.2 | K119 F120 D121 R162 A163 A164 | K119-T160 HydrophobicContact CB-CG2 3.91Å; K119-T160 HydrophobicContact CD-CG2 3.57Å; K119-T160 HydrophobicContact CG-CG2 4.25Å; F120-T160 PolarHBondContact O-N 3.18Å; F120-T160 PolarHBondContact O-OG1 3.36Å; D121-T160 WeakPolarHBondContact CA-O 3.47Å; D121-T160 WeakPolarHBondContact CA-OG1 3.42Å; T160-R162 PolarHBondContact O-N 3.28Å; T160-A163 WeakPolarHBondContact O-CB 3.33Å; T160-A163 PolarHBondContact O-N 3.32Å; T160-A163 VanDerWaalsContact O-N 3.1Å; T160-A164 PolarHBondContact O-N 3.28Å; T160-A164 VanDerWaalsContact O-N 3.15Å | ||
| 161 | G | 96 | Very high | 95.9 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | 55.9 | -120.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R165 | G161-R165 WeakPolarHBondContact O-CG 3.43Å; G161-R165 PolarHBondContact O-N 2.95Å; G161-R165 PolarHBondContact O-NE 2.93Å |
| 162 | R | 95.7 | Very high | 95.9 | Very high | 172 Ų | 172 | 49.2 Ų | 49.2 | 65% | 0.649 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -70.3 | -40.7 | -178.9 | -178.1 | -171.7 | -64.3 | 176.6 | 1 | 111.2 | D121 T160 R165 W166 | D121-R162 WeakPolarHBondContact O-CB 3.5Å; D121-R162 PolarHBondContact O-N 3.03Å; D121-R162 VanDerWaalsContact O-N 3.16Å; T160-R162 PolarHBondContact O-N 3.28Å; R162-R165 PolarHBondContact O-N 3.2Å; R162-W166 PolarHBondContact O-N 3.49Å |
| 163 | A | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.9 | -49.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F120 D121 M159 T160 R165 W166 A167 F192 | F120-A163 HydrophobicContact CD1-CB 3.52Å; F120-A163 HydrophobicContact CE1-CB 3.8Å; F120-A163 HydrophobicContact CG-CB 4.49Å; F120-A163 WeakPolarHBondContact O-CB 3.28Å; D121-A163 PolarHBondContact O-N 3.25Å; D121-A163 VanDerWaalsContact O-N 3.09Å; M159-A163 HydrophobicContact CB-CB 4.03Å; M159-A163 HydrophobicContact CE-CB 3.63Å; M159-A163 HydrophobicContact CG-CB 4.24Å; T160-A163 WeakPolarHBondContact O-CB 3.33Å; T160-A163 PolarHBondContact O-N 3.32Å; T160-A163 VanDerWaalsContact O-N 3.1Å; A163-R165 PolarHBondContact O-N 3.46Å; A163-W166 PolarHBondContact O-N 3Å; A163-A167 PolarHBondContact O-N 3.23Å; A163-F192 HydrophobicContact CB-CE1 4.48Å; A163-F192 HydrophobicContact CB-CZ 4.11Å |
| 164 | A | 96.9 | Very high | 95.8 | Very high | 29 Ų | 29 | 58.3 Ų | 58.3 | 24% | 0.24 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M159 T160 W166 A167 S168 | M159-A164 HydrophobicContact CB-CB 4.3Å; T160-A164 PolarHBondContact O-N 3.28Å; T160-A164 VanDerWaalsContact O-N 3.15Å; A164-W166 VanDerWaalsContact C-N 3.3Å; A164-W166 PolarHBondContact O-N 3.47Å; A164-A167 PolarHBondContact O-N 2.92Å; A164-A167 VanDerWaalsContact O-N 3.16Å; A164-S168 PolarHBondContact O-N 3.38Å; A164-S168 PolarHBondContact O-OG 3.16Å |
| 165 | R | 97 | Very high | 95.7 | Very high | 174 Ų | 174 | 63.6 Ų | 63.6 | 66% | 0.657 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60 | -40.5 | 177.9 | -73.8 | -174.5 | -118.7 | 106 | -0.2 | 112.6 | G161 R162 A163 A169 | G161-R165 WeakPolarHBondContact O-CG 3.43Å; G161-R165 PolarHBondContact O-N 2.95Å; G161-R165 PolarHBondContact O-NE 2.93Å; R162-R165 PolarHBondContact O-N 3.2Å; A163-R165 PolarHBondContact O-N 3.46Å; R165-A169 WeakPolarHBondContact O-CB 3.21Å; R165-A169 PolarHBondContact O-N 2.93Å |
| 166 | W | 96.8 | Very high | 95.6 | Very high | 43 Ų | 43 | 69.7 Ų | 69.7 | 16% | 0.163 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 174.6 | 166.8 | 82.7 | 0 | 0 | 0 | 111.5 | M159 R162 A163 A164 S168 A169 K170 F184 E187 M188 V191 F192 | M159-W166 HydrophobicContact CE-CE3 3.75Å; M159-W166 HydrophobicContact CE-CZ3 3.78Å; R162-W166 PolarHBondContact O-N 3.49Å; A163-W166 PolarHBondContact O-N 3Å; A164-W166 VanDerWaalsContact C-N 3.3Å; A164-W166 PolarHBondContact O-N 3.47Å; W166-S168 PolarHBondContact O-N 2.83Å; W166-A169 PolarHBondContact O-N 3.38Å; W166-K170 HydrophobicContact CZ2-CB 4.41Å; W166-K170 HydrophobicContact CZ2-CG 4.1Å; W166-K170 VanDerWaalsContact O-CB 3.26Å; W166-K170 WeakPolarHBondContact O-CB 3.29Å; W166-K170 PolarHBondContact O-N 3.06Å; W166-F184 HydrophobicContact CH2-CE2 4.24Å; W166-F184 HydrophobicContact CH2-CZ 4.45Å; W166-F184 HydrophobicContact CZ3-CE2 4.1Å; W166-F184 HydrophobicContact CZ3-CZ 4.01Å; W166-E187 HydrophobicContact CH2-CB 4.48Å; W166-E187 HydrophobicContact CZ2-CB 4.26Å; W166-M188 HydrophobicContact CH2-CB 3.74Å; W166-M188 HydrophobicContact CH2-CG 4.35Å; W166-M188 HydrophobicContact CZ3-CB 4.1Å; W166-M188 HydrophobicContact CZ3-CG 4.26Å; W166-V191 HydrophobicContact CD2-CG1 4.41Å; W166-V191 HydrophobicContact CG-CG1 4.29Å; W166-V191 HydrophobicContact CZ2-CB 4.14Å; W166-V191 HydrophobicContact CZ2-CG2 3.89Å; W166-F192 HydrophobicContact CB-CZ 3.9Å; W166-F192 AromaticContact CD2-CE2 3.67Å; W166-F192 HydrophobicContact CD2-CE2 3.67Å; W166-F192 AromaticContact CD2-CZ 3.92Å; W166-F192 HydrophobicContact CD2-CZ 3.92Å; W166-F192 AromaticContact CE3-CE2 3.45Å; W166-F192 HydrophobicContact CE3-CE2 3.45Å; W166-F192 VanDerWaalsContact CE3-CE2 3.45Å; W166-F192 AromaticContact CE3-CZ 3.96Å; W166-F192 HydrophobicContact CE3-CZ 3.96Å; W166-F192 HydrophobicContact CG-CE2 4.16Å; W166-F192 AromaticContact CG-CZ 3.91Å; W166-F192 HydrophobicContact CG-CZ 3.91Å; W166-F192 HydrophobicContact CH2-CE2 4.47Å; W166-F192 AromaticContact CZ3-CE2 3.9Å; W166-F192 HydrophobicContact CZ3-CE2 3.9Å |
| 167 | A | 96.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 68 Ų | 68 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.8 | -47 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T156 M159 A163 A164 K170 L171 F184 | T156-A167 HydrophobicContact CG2-CB 3.88Å; M159-A167 HydrophobicContact CE-CB 4.16Å; M159-A167 HydrophobicContact SD-CB 3.78Å; A163-A167 PolarHBondContact O-N 3.23Å; A164-A167 PolarHBondContact O-N 2.92Å; A164-A167 VanDerWaalsContact O-N 3.16Å; A167-K170 PolarHBondContact O-N 2.88Å; A167-L171 WeakPolarHBondContact O-CB 3.43Å; A167-L171 VanDerWaalsContact O-CG 3.32Å; A167-L171 WeakPolarHBondContact O-CG 3.39Å; A167-L171 PolarHBondContact O-N 3.2Å; A167-F184 HydrophobicContact CB-CZ 4.47Å |
| 168 | S | 95.4 | Very high | 95.5 | Very high | 69 Ų | 69 | 66.1 Ų | 66.1 | 48% | 0.483 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.2 | -52.6 | 175.6 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | A164 W166 K170 L171 E172 | A164-S168 PolarHBondContact O-N 3.38Å; A164-S168 PolarHBondContact O-OG 3.16Å; W166-S168 PolarHBondContact O-N 2.83Å; S168-K170 VanDerWaalsContact C-N 3.31Å; S168-K170 PolarHBondContact O-N 3.34Å; S168-L171 PolarHBondContact O-N 3.05Å; S168-E172 WeakPolarHBondContact O-CG 2.93Å; S168-E172 PolarHBondContact O-N 2.98Å |
| 169 | A | 95.9 | Very high | 95.5 | Very high | 34 Ų | 34 | 70.3 Ų | 70.3 | 28% | 0.281 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.2 | -33.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R165 W166 R173 | R165-A169 WeakPolarHBondContact O-CB 3.21Å; R165-A169 PolarHBondContact O-N 2.93Å; W166-A169 PolarHBondContact O-N 3.38Å; A169-R173 VanDerWaalsContact O-CG 3.31Å; A169-R173 WeakPolarHBondContact O-CG 3.47Å; A169-R173 PolarHBondContact O-N 3.16Å |
| 170 | K | 95.3 | Very high | 95.5 | Very high | 48 Ų | 48 | 73 Ų | 73 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -73.2 | -43.9 | 179.1 | -172.4 | 68.5 | 172.3 | -169.9 | 0 | 111.1 | W166 A167 S168 R173 S174 L177 E187 | W166-K170 HydrophobicContact CZ2-CB 4.41Å; W166-K170 HydrophobicContact CZ2-CG 4.1Å; W166-K170 VanDerWaalsContact O-CB 3.26Å; W166-K170 WeakPolarHBondContact O-CB 3.29Å; W166-K170 PolarHBondContact O-N 3.06Å; A167-K170 PolarHBondContact O-N 2.88Å; S168-K170 VanDerWaalsContact C-N 3.31Å; S168-K170 PolarHBondContact O-N 3.34Å; K170-R173 PolarHBondContact O-N 3.12Å; K170-S174 WeakPolarHBondContact O-CB 3.29Å; K170-S174 PolarHBondContact O-N 3.34Å; K170-L177 HydrophobicContact CD-CD1 4.28Å; K170-L177 HydrophobicContact CG-CD1 3.76Å; K170-E187 WeakPolarHBondContact CE-OE2 3.48Å; K170-E187 IonicContact NZ-OE2 3.88Å; K170-E187 PolarHBondContact NZ-OE2 3.45Å |
| 171 | L | 95.2 | Very high | 95.5 | Very high | 18 Ų | 18 | 72.4 Ų | 72.4 | 9% | 0.094 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.9 | -34.4 | 178.8 | -71.6 | 170.3 | 0 | 0 | 0 | 112.5 | V152 T156 A167 S168 S174 H175 L177 M178 F184 | V152-L171 HydrophobicContact CG1-CD1 4.19Å; V152-L171 HydrophobicContact CG1-CD2 4.03Å; T156-L171 HydrophobicContact CG2-CD1 3.83Å; A167-L171 WeakPolarHBondContact O-CB 3.43Å; A167-L171 VanDerWaalsContact O-CG 3.32Å; A167-L171 WeakPolarHBondContact O-CG 3.39Å; A167-L171 PolarHBondContact O-N 3.2Å; S168-L171 PolarHBondContact O-N 3.05Å; L171-S174 CarbonylContact O-C 3.59Å; L171-H175 PolarHBondContact O-N 3.25Å; L171-L177 HydrophobicContact CD2-CB 3.9Å; L171-M178 HydrophobicContact CB-CE 4.22Å; L171-M178 HydrophobicContact CD1-CE 3.81Å; L171-M178 HydrophobicContact CD2-CB 4.25Å; L171-M178 HydrophobicContact CD2-CE 4.18Å; L171-M178 HydrophobicContact CG-CE 4.3Å; L171-F184 HydrophobicContact CD1-CE2 4.31Å; L171-F184 HydrophobicContact CD2-CD2 4.04Å; L171-F184 HydrophobicContact CD2-CE2 4.19Å; L171-F184 HydrophobicContact CG-CE2 4.22Å |
| 172 | E | 95.1 | Very high | 95.5 | Very high | 160 Ų | 160 | 74.4 Ų | 74.4 | 75% | 0.748 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.7 | -42.3 | 172.4 | -77.3 | 172.5 | -170 | 0 | 0 | 112.4 | S168 | S168-E172 WeakPolarHBondContact O-CG 2.93Å; S168-E172 PolarHBondContact O-N 2.98Å |
| 173 | R | 95.1 | Very high | 95.5 | Very high | 213 Ų | 213 | 67 Ų | 67 | 80% | 0.804 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -79.8 | -25.5 | -179 | -68.2 | 175.2 | -171.1 | 173 | 3.4 | 113.3 | A169 K170 | A169-R173 VanDerWaalsContact O-CG 3.31Å; A169-R173 WeakPolarHBondContact O-CG 3.47Å; A169-R173 PolarHBondContact O-N 3.16Å; K170-R173 PolarHBondContact O-N 3.12Å |
| 174 | S | 93.8 | Very high | 95.6 | Very high | 25 Ų | 25 | 67 Ų | 67 | 18% | 0.175 | 32% | 0.322 | C | S | . | . | trans | -135 | 69.2 | -169.8 | -60.6 | 0 | 0 | 0 | 0 | 110 | K170 L171 Y176 L177 | K170-S174 WeakPolarHBondContact O-CB 3.29Å; K170-S174 PolarHBondContact O-N 3.34Å; L171-S174 CarbonylContact O-C 3.59Å; S174-Y176 PolarHBondContact O-N 3.34Å; S174-L177 WeakPolarHBondContact O-CB 3.42Å; S174-L177 PolarHBondContact O-N 2.9Å | ||
| 175 | H | 92.1 | Very high | 95.5 | Very high | 127 Ų | 127 | 66.2 Ų | 66.2 | 59% | 0.588 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -56.3 | -28.5 | -174.2 | -167.5 | -92.3 | 0 | 0 | 0 | 113.8 | L171 L177 M178 H179 | L171-H175 PolarHBondContact O-N 3.25Å; H175-L177 PolarHBondContact O-N 2.95Å; H175-M178 WeakPolarHBondContact O-CB 3.28Å; H175-M178 PolarHBondContact O-N 3.17Å; H175-M178 VanDerWaalsContact O-N 3.09Å; H175-H179 AromaticContact CE1-NE2 3.53Å |
| 176 | Y | 94.4 | Very high | 95.4 | Very high | 128 Ų | 128 | 63.9 Ų | 63.9 | 50% | 0.502 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -60.9 | -28.4 | 176.6 | 77 | -88.5 | 0 | 0 | 0 | 113.2 | S174 M178 H179 N180 A183 | S174-Y176 PolarHBondContact O-N 3.34Å; Y176-M178 PolarHBondContact O-N 3.21Å; Y176-H179 CarbonylContact O-C 3.5Å; Y176-H179 PolarHBondContact O-N 2.76Å; Y176-N180 PolarHBondContact O-N 2.95Å; Y176-A183 HydrophobicContact CE2-CB 4.31Å |
| 177 | L | 95.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -65.5 | -26 | 177.8 | -66 | 175.9 | 0 | 0 | 0 | 111.9 | K170 L171 S174 H175 H179 N180 A183 F184 E187 | K170-L177 HydrophobicContact CD-CD1 4.28Å; K170-L177 HydrophobicContact CG-CD1 3.76Å; L171-L177 HydrophobicContact CD2-CB 3.9Å; S174-L177 WeakPolarHBondContact O-CB 3.42Å; S174-L177 PolarHBondContact O-N 2.9Å; H175-L177 PolarHBondContact O-N 2.95Å; L177-H179 PolarHBondContact O-N 3.49Å; L177-N180 PolarHBondContact O-N 3.07Å; L177-A183 HydrophobicContact CD2-CB 3.69Å; L177-F184 HydrophobicContact CB-CB 4.45Å; L177-F184 HydrophobicContact CB-CD2 4.4Å; L177-E187 HydrophobicContact CD1-CG 4.29Å; L177-E187 HydrophobicContact CD2-CG 4.25Å |
| 178 | M | 94.8 | Very high | 95.2 | Very high | 37 Ų | 37 | 63.7 Ų | 63.7 | 18% | 0.182 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -63.1 | -24.8 | 173.9 | -171.2 | 63.5 | 77.6 | 0 | 0 | 112 | R149 V152 L171 H175 Y176 | R149-M178 WeakPolarHBondContact CA-O 3.01Å; R149-M178 HydrophobicContact CG-CG 4.09Å; R149-M178 HydrophobicContact CG-SD 4.31Å; V152-M178 HydrophobicContact CG1-SD 4.09Å; L171-M178 HydrophobicContact CB-CE 4.22Å; L171-M178 HydrophobicContact CD1-CE 3.81Å; L171-M178 HydrophobicContact CD2-CB 4.25Å; L171-M178 HydrophobicContact CD2-CE 4.18Å; L171-M178 HydrophobicContact CG-CE 4.3Å; H175-M178 WeakPolarHBondContact O-CB 3.28Å; H175-M178 PolarHBondContact O-N 3.17Å; H175-M178 VanDerWaalsContact O-N 3.09Å; Y176-M178 PolarHBondContact O-N 3.21Å |
| 179 | H | 95.6 | Very high | 95.1 | Very high | 102 Ų | 102 | 65 Ų | 65 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -115.7 | 11.6 | -176.7 | -58.5 | -79.7 | 0 | 0 | 0 | 112.8 | H175 Y176 L177 | H175-H179 AromaticContact CE1-NE2 3.53Å; Y176-H179 CarbonylContact O-C 3.5Å; Y176-H179 PolarHBondContact O-N 2.76Å; L177-H179 PolarHBondContact O-N 3.49Å |
| 180 | N | 96.1 | Very high | 94.8 | Very high | 65 Ų | 65 | 70.1 Ų | 70.1 | 35% | 0.348 | 33% | 0.327 | S | S | . | . | trans | -139.9 | 90.2 | 179.9 | -171.8 | -35.4 | 0 | 0 | 0 | 109 | D148 Y176 L177 P182 A183 F184 | D148-N180 WeakPolarHBondContact OD2-CA 3.44Å; Y176-N180 PolarHBondContact O-N 2.95Å; L177-N180 PolarHBondContact O-N 3.07Å; N180-P182 WeakPolarHBondContact OD1-CD 3.2Å; N180-A183 HydrophobicContact CB-CB 4.04Å; N180-A183 VanDerWaalsContact CG-CB 3.46Å; N180-A183 PolarHBondContact O-N 3.02Å; N180-A183 VanDerWaalsContact OD1-CB 3.23Å; N180-A183 WeakPolarHBondContact OD1-CB 3.39Å; N180-A183 PolarHBondContact OD1-N 3.29Å; N180-F184 PolarHBondContact O-N 3.11Å | ||
| 181 | Y | 96.1 | Very high | 94.7 | Very high | 35 Ų | 35 | 70.8 Ų | 70.8 | 14% | 0.137 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.4 | -46.4 | -177.2 | 171 | -100.9 | 0 | 0 | 0 | 112.2 | M138 D148 R151 V152 V155 A183 F184 M185 | M138-Y181 HydrophobicContact CE-CE2 4.17Å; M138-Y181 WeakPolarHBondContact CE-OH 3.46Å; D148-Y181 PolarHBondContact OD2-N 3.22Å; R151-Y181 HydrophobicContact CB-CD2 3.43Å; R151-Y181 VanDerWaalsContact CB-CD2 3.43Å; R151-Y181 HydrophobicContact CB-CE2 3.92Å; R151-Y181 HydrophobicContact CB-CG 3.82Å; R151-Y181 HydrophobicContact CG-CD2 4.46Å; R151-Y181 HydrophobicContact CG-CG 4.48Å; V152-Y181 HydrophobicContact CG2-CD2 4.2Å; V155-Y181 HydrophobicContact CG2-CE2 3.92Å; Y181-A183 VanDerWaalsContact C-N 3.32Å; Y181-A183 PolarHBondContact O-N 3.21Å; Y181-F184 PolarHBondContact O-N 3.24Å; Y181-M185 HydrophobicContact CD1-CG 4.29Å; Y181-M185 HydrophobicContact CD2-CG 3.96Å; Y181-M185 HydrophobicContact CD2-SD 4.3Å; Y181-M185 HydrophobicContact CE1-CG 3.84Å; Y181-M185 HydrophobicContact CE2-CG 3.47Å; Y181-M185 VanDerWaalsContact CE2-CG 3.47Å; Y181-M185 HydrophobicContact CE2-SD 3.52Å; Y181-M185 VanDerWaalsContact CE2-SD 3.52Å; Y181-M185 HydrophobicContact CG-CG 4.35Å; Y181-M185 WeakPolarHBondContact O-CG 3.45Å; Y181-M185 PolarHBondContact O-N 3.37Å |
| 182 | P | 96.6 | Very high | 94.6 | Very high | 81 Ų | 81 | 70.7 Ų | 70.7 | 53% | 0.526 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.6 | -42.8 | 176.4 | -26.5 | 35.1 | 0 | 0 | 0 | 113.5 | N180 M185 M186 | N180-P182 WeakPolarHBondContact OD1-CD 3.2Å; P182-M185 PolarHBondContact O-N 2.89Å; P182-M186 WeakPolarHBondContact O-CB 3.5Å; P182-M186 PolarHBondContact O-N 3.31Å |
| 183 | A | 96.4 | Very high | 94.3 | Very high | 15 Ų | 15 | 67.5 Ų | 67.5 | 12% | 0.124 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y176 L177 N180 Y181 M186 E187 | Y176-A183 HydrophobicContact CE2-CB 4.31Å; L177-A183 HydrophobicContact CD2-CB 3.69Å; N180-A183 HydrophobicContact CB-CB 4.04Å; N180-A183 VanDerWaalsContact CG-CB 3.46Å; N180-A183 PolarHBondContact O-N 3.02Å; N180-A183 VanDerWaalsContact OD1-CB 3.23Å; N180-A183 WeakPolarHBondContact OD1-CB 3.39Å; N180-A183 PolarHBondContact OD1-N 3.29Å; Y181-A183 VanDerWaalsContact C-N 3.32Å; Y181-A183 PolarHBondContact O-N 3.21Å; A183-M186 PolarHBondContact O-N 2.89Å; A183-E187 WeakPolarHBondContact O-CG 3.49Å; A183-E187 PolarHBondContact O-N 2.93Å |
| 184 | F | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 175 | 178.4 | -97.4 | 0 | 0 | 0 | 111.9 | V152 V155 T156 M159 W166 A167 L171 L177 N180 Y181 M186 E187 M188 | V152-F184 HydrophobicContact CG1-CD1 4.32Å; V152-F184 HydrophobicContact CG1-CD2 4.15Å; V152-F184 HydrophobicContact CG1-CE2 4.38Å; V152-F184 HydrophobicContact CG1-CG 4.12Å; V152-F184 HydrophobicContact CG2-CB 4.08Å; V152-F184 HydrophobicContact CG2-CD1 4.39Å; V152-F184 HydrophobicContact CG2-CG 4.23Å; V155-F184 HydrophobicContact CB-CE1 4.37Å; V155-F184 HydrophobicContact CG1-CE1 3.92Å; T156-F184 HydrophobicContact CG2-CE1 4.25Å; T156-F184 HydrophobicContact CG2-CE2 4.16Å; T156-F184 HydrophobicContact CG2-CZ 3.57Å; M159-F184 HydrophobicContact SD-CZ 4.37Å; W166-F184 HydrophobicContact CH2-CE2 4.24Å; W166-F184 HydrophobicContact CH2-CZ 4.45Å; W166-F184 HydrophobicContact CZ3-CE2 4.1Å; W166-F184 HydrophobicContact CZ3-CZ 4.01Å; A167-F184 HydrophobicContact CB-CZ 4.47Å; L171-F184 HydrophobicContact CD1-CE2 4.31Å; L171-F184 HydrophobicContact CD2-CD2 4.04Å; L171-F184 HydrophobicContact CD2-CE2 4.19Å; L171-F184 HydrophobicContact CG-CE2 4.22Å; L177-F184 HydrophobicContact CB-CB 4.45Å; L177-F184 HydrophobicContact CB-CD2 4.4Å; N180-F184 PolarHBondContact O-N 3.11Å; Y181-F184 PolarHBondContact O-N 3.24Å; F184-M186 VanDerWaalsContact C-N 3.31Å; F184-M186 PolarHBondContact O-N 2.94Å; F184-E187 PolarHBondContact O-N 3.25Å; F184-M188 WeakPolarHBondContact O-CB 3.43Å; F184-M188 PolarHBondContact O-N 2.94Å |
| 185 | M | 96.3 | Very high | 93 | Very high | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.069 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65 | -35.1 | 178.3 | -63.7 | -53.5 | -69.9 | 0 | 0 | 112.3 | M131 V155 Y181 P182 M188 K189 | M131-M185 HydrophobicContact CB-CE 4.21Å; M131-M185 HydrophobicContact CE-CB 4.37Å; M131-M185 HydrophobicContact CE-CE 3.58Å; M131-M185 HydrophobicContact CG-CE 3.6Å; M131-M185 HydrophobicContact SD-CE 4.09Å; V155-M185 HydrophobicContact CG1-SD 4.21Å; V155-M185 HydrophobicContact CG2-SD 4.27Å; Y181-M185 HydrophobicContact CD1-CG 4.29Å; Y181-M185 HydrophobicContact CD2-CG 3.96Å; Y181-M185 HydrophobicContact CD2-SD 4.3Å; Y181-M185 HydrophobicContact CE1-CG 3.84Å; Y181-M185 HydrophobicContact CE2-CG 3.47Å; Y181-M185 VanDerWaalsContact CE2-CG 3.47Å; Y181-M185 HydrophobicContact CE2-SD 3.52Å; Y181-M185 VanDerWaalsContact CE2-SD 3.52Å; Y181-M185 HydrophobicContact CG-CG 4.35Å; Y181-M185 WeakPolarHBondContact O-CG 3.45Å; Y181-M185 PolarHBondContact O-N 3.37Å; P182-M185 PolarHBondContact O-N 2.89Å; M185-M188 HydrophobicContact CE-SD 4.34Å; M185-M188 PolarHBondContact O-N 2.9Å; M185-M188 HydrophobicContact SD-SD 4.48Å; M185-K189 WeakPolarHBondContact O-CB 3.46Å; M185-K189 PolarHBondContact O-N 3.39Å |
| 186 | M | 94.6 | Very high | 92.7 | Very high | 124 Ų | 124 | 65 Ų | 65 | 61% | 0.611 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.3 | -45.2 | 174.5 | -176.7 | 178 | 66 | 0 | 0 | 111.8 | P182 A183 F184 K189 H190 | P182-M186 WeakPolarHBondContact O-CB 3.5Å; P182-M186 PolarHBondContact O-N 3.31Å; A183-M186 PolarHBondContact O-N 2.89Å; F184-M186 VanDerWaalsContact C-N 3.31Å; F184-M186 PolarHBondContact O-N 2.94Å; M186-K189 PolarHBondContact O-N 3.38Å; M186-H190 WeakPolarHBondContact O-CB 3.38Å; M186-H190 PolarHBondContact O-N 3.42Å |
| 187 | E | 94.6 | Very high | 92.3 | Very high | 42 Ų | 42 | 62.7 Ų | 62.7 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 175.6 | -73.4 | -70.7 | 153.1 | 0 | 0 | 111.8 | W166 K170 L177 A183 F184 K189 H190 V191 | W166-E187 HydrophobicContact CH2-CB 4.48Å; W166-E187 HydrophobicContact CZ2-CB 4.26Å; K170-E187 WeakPolarHBondContact CE-OE2 3.48Å; K170-E187 IonicContact NZ-OE2 3.88Å; K170-E187 PolarHBondContact NZ-OE2 3.45Å; L177-E187 HydrophobicContact CD1-CG 4.29Å; L177-E187 HydrophobicContact CD2-CG 4.25Å; A183-E187 WeakPolarHBondContact O-CG 3.49Å; A183-E187 PolarHBondContact O-N 2.93Å; F184-E187 PolarHBondContact O-N 3.25Å; E187-K189 VanDerWaalsContact C-N 3.34Å; E187-K189 PolarHBondContact O-N 3.47Å; E187-H190 PolarHBondContact O-N 3.16Å; E187-V191 WeakPolarHBondContact O-CB 3.37Å; E187-V191 VanDerWaalsContact O-CG2 3.29Å; E187-V191 WeakPolarHBondContact O-CG2 3.41Å; E187-V191 PolarHBondContact O-N 3.06Å |
| 188 | M | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59 | -48 | 174.7 | -178.6 | 178.4 | 179.8 | 0 | 0 | 110.8 | F120 L127 F130 V155 M159 W166 F184 M185 H190 V191 F192 | F120-M188 HydrophobicContact CD1-CE 3.4Å; F120-M188 VanDerWaalsContact CD1-CE 3.4Å; F120-M188 HydrophobicContact CE1-CE 3.4Å; F120-M188 VanDerWaalsContact CE1-CE 3.4Å; F120-M188 HydrophobicContact CG-CE 4.21Å; F120-M188 HydrophobicContact CZ-CE 4.19Å; L127-M188 HydrophobicContact CD1-CE 3.65Å; L127-M188 HydrophobicContact CD1-CG 4.14Å; L127-M188 HydrophobicContact CD1-SD 4.46Å; F130-M188 HydrophobicContact CD1-CE 3.53Å; F130-M188 HydrophobicContact CE1-CE 3.37Å; F130-M188 HydrophobicContact CE1-SD 4.17Å; V155-M188 HydrophobicContact CG1-SD 4.22Å; M159-M188 HydrophobicContact CE-CE 3.9Å; M159-M188 HydrophobicContact CE-SD 4.21Å; W166-M188 HydrophobicContact CH2-CB 3.74Å; W166-M188 HydrophobicContact CH2-CG 4.35Å; W166-M188 HydrophobicContact CZ3-CB 4.1Å; W166-M188 HydrophobicContact CZ3-CG 4.26Å; F184-M188 WeakPolarHBondContact O-CB 3.43Å; F184-M188 PolarHBondContact O-N 2.94Å; M185-M188 HydrophobicContact CE-SD 4.34Å; M185-M188 PolarHBondContact O-N 2.9Å; M185-M188 HydrophobicContact SD-SD 4.48Å; M188-H190 PolarHBondContact O-N 3.09Å; M188-V191 PolarHBondContact O-N 3.16Å; M188-F192 HydrophobicContact CG-CD2 3.92Å; M188-F192 HydrophobicContact CG-CE2 4.41Å; M188-F192 WeakPolarHBondContact O-CD2 3.46Å; M188-F192 PolarHBondContact O-N 3.34Å |
| 189 | K | 92.7 | Very high | 91.7 | Very high | 96 Ų | 96 | 71.1 Ų | 71.1 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.8 | -49.6 | 176 | -173.3 | 176.8 | 177.1 | 179.1 | 0 | 110.6 | M185 M186 E187 V191 F192 E193 | M185-K189 WeakPolarHBondContact O-CB 3.46Å; M185-K189 PolarHBondContact O-N 3.39Å; M186-K189 PolarHBondContact O-N 3.38Å; E187-K189 VanDerWaalsContact C-N 3.34Å; E187-K189 PolarHBondContact O-N 3.47Å; K189-V191 VanDerWaalsContact C-N 3.28Å; K189-V191 PolarHBondContact O-N 2.98Å; K189-F192 PolarHBondContact O-N 3.25Å; K189-E193 VanDerWaalsContact CE-CD 3.43Å; K189-E193 WeakPolarHBondContact CE-OE1 3.14Å; K189-E193 VanDerWaalsContact CE-OE2 3.28Å; K189-E193 WeakPolarHBondContact CE-OE2 3.44Å; K189-E193 HydrophobicContact CG-CB 4.33Å; K189-E193 IonicContact NZ-OE1 3.47Å; K189-E193 WeakPolarHBondContact O-CA 3.26Å; K189-E193 WeakPolarHBondContact O-CB 3.38Å; K189-E193 PolarHBondContact O-N 2.84Å |
| 190 | H | 90.8 | Very high | 91.5 | Very high | 142 Ų | 142 | 68.1 Ų | 68.1 | 66% | 0.657 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -58.7 | -37 | -179.4 | -176.9 | 63.1 | 0 | 0 | 0 | 113.8 | M186 E187 M188 | M186-H190 WeakPolarHBondContact O-CB 3.38Å; M186-H190 PolarHBondContact O-N 3.42Å; E187-H190 PolarHBondContact O-N 3.16Å; M188-H190 PolarHBondContact O-N 3.09Å |
| 191 | V | 92.3 | Very high | 91.5 | Very high | 63 Ų | 63 | 65.2 Ų | 65.2 | 38% | 0.382 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -81.7 | -38.5 | -175.7 | 170.4 | 0 | 0 | 0 | 0 | 112.9 | W166 E187 M188 K189 | W166-V191 HydrophobicContact CD2-CG1 4.41Å; W166-V191 HydrophobicContact CG-CG1 4.29Å; W166-V191 HydrophobicContact CZ2-CB 4.14Å; W166-V191 HydrophobicContact CZ2-CG2 3.89Å; E187-V191 WeakPolarHBondContact O-CB 3.37Å; E187-V191 VanDerWaalsContact O-CG2 3.29Å; E187-V191 WeakPolarHBondContact O-CG2 3.41Å; E187-V191 PolarHBondContact O-N 3.06Å; M188-V191 PolarHBondContact O-N 3.16Å; K189-V191 VanDerWaalsContact C-N 3.28Å; K189-V191 PolarHBondContact O-N 2.98Å |
| 192 | F | 92.9 | Very high | 91.4 | Very high | 15 Ų | 15 | 65.8 Ų | 65.8 | 7% | 0.066 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -102.6 | -11.1 | -174.4 | -65.1 | -70.3 | 0 | 0 | 0 | 114.2 | F120 P124 L127 M159 A163 W166 M188 K189 | F120-F192 HydrophobicContact CE1-CB 4.39Å; F120-F192 HydrophobicContact CE1-CD1 4.21Å; F120-F192 AromaticContact CE1-CD2 3.88Å; F120-F192 HydrophobicContact CE1-CD2 3.88Å; F120-F192 HydrophobicContact CE1-CE2 4.23Å; F120-F192 AromaticContact CE1-CG 3.89Å; F120-F192 HydrophobicContact CE1-CG 3.89Å; F120-F192 HydrophobicContact CZ-CB 4Å; F120-F192 HydrophobicContact CZ-CD1 4.25Å; F120-F192 HydrophobicContact CZ-CD2 4.35Å; F120-F192 AromaticContact CZ-CG 3.94Å; F120-F192 HydrophobicContact CZ-CG 3.94Å; P124-F192 WeakPolarHBondContact CA-O 3.44Å; P124-F192 VanDerWaalsContact CB-O 3.25Å; P124-F192 WeakPolarHBondContact CB-O 3.32Å; L127-F192 HydrophobicContact CD1-CB 4.09Å; L127-F192 HydrophobicContact CD2-CB 3.97Å; M159-F192 HydrophobicContact CE-CE2 4.09Å; A163-F192 HydrophobicContact CB-CE1 4.48Å; A163-F192 HydrophobicContact CB-CZ 4.11Å; W166-F192 HydrophobicContact CB-CZ 3.9Å; W166-F192 AromaticContact CD2-CE2 3.67Å; W166-F192 HydrophobicContact CD2-CE2 3.67Å; W166-F192 AromaticContact CD2-CZ 3.92Å; W166-F192 HydrophobicContact CD2-CZ 3.92Å; W166-F192 AromaticContact CE3-CE2 3.45Å; W166-F192 HydrophobicContact CE3-CE2 3.45Å; W166-F192 VanDerWaalsContact CE3-CE2 3.45Å; W166-F192 AromaticContact CE3-CZ 3.96Å; W166-F192 HydrophobicContact CE3-CZ 3.96Å; W166-F192 HydrophobicContact CG-CE2 4.16Å; W166-F192 AromaticContact CG-CZ 3.91Å; W166-F192 HydrophobicContact CG-CZ 3.91Å; W166-F192 HydrophobicContact CH2-CE2 4.47Å; W166-F192 AromaticContact CZ3-CE2 3.9Å; W166-F192 HydrophobicContact CZ3-CE2 3.9Å; M188-F192 HydrophobicContact CG-CD2 3.92Å; M188-F192 HydrophobicContact CG-CE2 4.41Å; M188-F192 WeakPolarHBondContact O-CD2 3.46Å; M188-F192 PolarHBondContact O-N 3.34Å; K189-F192 PolarHBondContact O-N 3.25Å |
| 193 | E | 88.3 | Confident | 91.4 | Very high | 94 Ų | 94 | 67.5 Ų | 67.5 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -70.1 | 131 | 171.6 | -174.5 | 167.2 | -128.9 | 0 | 0 | 109.3 | L127 K189 P195 | L127-E193 HydrophobicContact CD2-CB 4.12Å; K189-E193 VanDerWaalsContact CE-CD 3.43Å; K189-E193 WeakPolarHBondContact CE-OE1 3.14Å; K189-E193 VanDerWaalsContact CE-OE2 3.28Å; K189-E193 WeakPolarHBondContact CE-OE2 3.44Å; K189-E193 HydrophobicContact CG-CB 4.33Å; K189-E193 IonicContact NZ-OE1 3.47Å; K189-E193 WeakPolarHBondContact O-CA 3.26Å; K189-E193 WeakPolarHBondContact O-CB 3.38Å; K189-E193 PolarHBondContact O-N 2.84Å; E193-P195 WeakPolarHBondContact O-CD 3.44Å |
| 194 | D | 84.2 | Confident | 91.4 | Very high | 62 Ų | 62 | 72.8 Ų | 72.8 | 33% | 0.332 | 34% | 0.343 | S | S | . | . | trans | -73.4 | 112.6 | 176.2 | 172.6 | 10.6 | 0 | 0 | 0 | 109.8 | P124 Q196 R197 | P124-D194 HydrophobicContact CB-CB 4.06Å; D194-Q196 PolarHBondContact O-N 3.47Å; D194-Q196 VanDerWaalsContact O-N 3.11Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.31Å; D194-Q196 PolarHBondContact OD1-N 3.04Å; D194-R197 HydrophobicContact CB-CB 4.03Å; D194-R197 VanDerWaalsContact O-CB 3.27Å; D194-R197 WeakPolarHBondContact O-CB 3.32Å; D194-R197 PolarHBondContact O-N 3.06Å | ||
| 195 | P | 78.4 | Confident | 91.4 | Very high | 122 Ų | 122 | 72.8 Ų | 72.8 | 79% | 0.792 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.2 | -178.9 | -19.9 | 33.5 | 0 | 0 | 0 | 113 | E193 | E193-P195 WeakPolarHBondContact O-CD 3.44Š|
| 196 | Q | 85.2 | Confident | 91.4 | Very high | 129 Ų | 129 | 79.3 Ų | 79.3 | 60% | 0.603 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -9.7 | -179.8 | -60.2 | -163.5 | -32.7 | 0 | 0 | 113.2 | D194 R198 E199 V200 | D194-Q196 PolarHBondContact O-N 3.47Å; D194-Q196 VanDerWaalsContact O-N 3.11Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.31Å; D194-Q196 PolarHBondContact OD1-N 3.04Å; Q196-R198 VanDerWaalsContact C-N 3.3Å; Q196-R198 PolarHBondContact O-N 2.89Å; Q196-E199 CarbonylContact O-C 3.57Å; Q196-E199 PolarHBondContact O-N 3.42Å; Q196-V200 HydrophobicContact CB-CG2 4.4Å; Q196-V200 WeakPolarHBondContact O-CG2 3.26Å; Q196-V200 PolarHBondContact O-N 3.5Å |
| 197 | R | 85.8 | Confident | 91.5 | Very high | 79 Ų | 79 | 82.6 Ų | 82.6 | 30% | 0.298 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -51.9 | -48.9 | -175.3 | -175.6 | 169.5 | 173 | 176.2 | -8.5 | 112.2 | D194 E199 V200 A201 D228 | D194-R197 HydrophobicContact CB-CB 4.03Å; D194-R197 VanDerWaalsContact O-CB 3.27Å; D194-R197 WeakPolarHBondContact O-CB 3.32Å; D194-R197 PolarHBondContact O-N 3.06Å; R197-E199 PolarHBondContact O-N 2.97Å; R197-V200 PolarHBondContact O-N 2.73Å; R197-A201 WeakPolarHBondContact O-CB 3.13Å; R197-A201 PolarHBondContact O-N 3.48Å; R197-D228 HydrophobicContact CG-CB 4.41Å; R197-D228 WeakPolarHBondContact CG-OD2 3.49Å; R197-D228 IonicContact CZ-OD1 3.82Å; R197-D228 IonicContact CZ-OD2 2.95Å; R197-D228 IonicContact NE-OD1 3.73Å; R197-D228 PolarHBondContact NE-OD1 3.03Å; R197-D228 IonicContact NE-OD2 2.66Å; R197-D228 PolarHBondContact NE-OD2 3.33Å; R197-D228 IonicContact NH2-OD1 2.84Å; R197-D228 PolarHBondContact NH2-OD1 2.92Å; R197-D228 IonicContact NH2-OD2 3.74Å |
| 198 | R | 87 | Confident | 91.7 | Very high | 118 Ų | 118 | 82.2 Ų | 82.2 | 45% | 0.445 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 176.7 | -175.4 | 171.6 | 62.9 | 127.5 | 2.2 | 113.1 | Q196 A201 K202 D228 D230 | Q196-R198 VanDerWaalsContact C-N 3.3Å; Q196-R198 PolarHBondContact O-N 2.89Å; R198-A201 PolarHBondContact O-N 3.4Å; R198-K202 WeakPolarHBondContact O-CG 3.42Å; R198-K202 PolarHBondContact O-N 3.44Å; R198-D228 WeakPolarHBondContact CG-O 3.44Å; R198-D230 WeakPolarHBondContact CD-OD2 3.37Å; R198-D230 IonicContact CZ-OD2 3.89Å; R198-D230 IonicContact NE-OD2 2.63Å; R198-D230 IonicContact NH1-OD2 3.64Å; R198-D230 PolarHBondContact NH1-OD2 2.97Å |
| 199 | E | 90.1 | Very high | 91.8 | Very high | 95 Ų | 95 | 88.5 Ų | 88.5 | 44% | 0.444 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -72.8 | -33.8 | 179.7 | -168.5 | 55.6 | -144.2 | 0 | 0 | 112 | Q196 R197 K202 R203 | Q196-E199 CarbonylContact O-C 3.57Å; Q196-E199 PolarHBondContact O-N 3.42Å; R197-E199 PolarHBondContact O-N 2.97Å; E199-K202 IonicContact OE2-NZ 2.76Å; E199-R203 WeakPolarHBondContact O-CG 3.45Å; E199-R203 PolarHBondContact O-N 3.43Å; E199-R203 VanDerWaalsContact O-N 3.14Å; E199-R203 PolarHBondContact O-NE 3.15Å |
| 200 | V | 92.8 | Very high | 92 | Very high | 40 Ų | 40 | 84.5 Ų | 84.5 | 24% | 0.242 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 169.9 | 172.7 | 0 | 0 | 0 | 0 | 110 | Q196 R197 K202 R203 K204 | Q196-V200 HydrophobicContact CB-CG2 4.4Å; Q196-V200 WeakPolarHBondContact O-CG2 3.26Å; Q196-V200 PolarHBondContact O-N 3.5Å; R197-V200 PolarHBondContact O-N 2.73Å; V200-K202 PolarHBondContact O-N 3.39Å; V200-R203 PolarHBondContact O-N 2.9Å; V200-K204 HydrophobicContact CG1-CD 3.9Å; V200-K204 HydrophobicContact CG1-CG 4.22Å; V200-K204 WeakPolarHBondContact O-CB 3.45Å; V200-K204 WeakPolarHBondContact O-CG 3.5Å; V200-K204 PolarHBondContact O-N 3.41Å |
| 201 | A | 94.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 80.1 Ų | 80.1 | 3% | 0.025 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.1 | -45.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R197 R198 R203 K204 I205 I225 D228 L229 | R197-A201 WeakPolarHBondContact O-CB 3.13Å; R197-A201 PolarHBondContact O-N 3.48Å; R198-A201 PolarHBondContact O-N 3.4Å; A201-R203 VanDerWaalsContact C-N 3.34Å; A201-R203 PolarHBondContact O-N 3.42Å; A201-K204 PolarHBondContact O-N 3.1Å; A201-I205 PolarHBondContact O-N 3.06Å; A201-I225 HydrophobicContact CB-CG2 3.94Å; A201-I225 VanDerWaalsContact O-CG2 3.27Å; A201-I225 WeakPolarHBondContact O-CG2 3.23Å; A201-D228 HydrophobicContact CB-CB 3.67Å; A201-L229 HydrophobicContact CB-CD2 3.75Å; A201-L229 HydrophobicContact CB-CG 4.17Å |
| 202 | K | 94.5 | Very high | 92 | Very high | 48 Ų | 48 | 86.9 Ų | 86.9 | 21% | 0.209 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.1 | -43.3 | 175.3 | -76.1 | 176.8 | -173.9 | 171.9 | 0 | 112.4 | R198 E199 V200 I205 R206 L229 W231 | R198-K202 WeakPolarHBondContact O-CG 3.42Å; R198-K202 PolarHBondContact O-N 3.44Å; E199-K202 IonicContact OE2-NZ 2.76Å; V200-K202 PolarHBondContact O-N 3.39Å; K202-I205 WeakPolarHBondContact O-CG2 3.26Å; K202-R206 WeakPolarHBondContact O-CB 3.24Å; K202-R206 VanDerWaalsContact O-CG 3.27Å; K202-R206 WeakPolarHBondContact O-CG 2.81Å; K202-R206 PolarHBondContact O-N 3.17Å; K202-L229 HydrophobicContact CB-CD2 4.35Å; K202-L229 HydrophobicContact CG-CD2 3.53Å; K202-W231 HydrophobicContact CG-CZ2 4.37Å |
| 203 | R | 95.8 | Very high | 91.9 | Very high | 117 Ų | 117 | 87.8 Ų | 87.8 | 44% | 0.442 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.9 | -39.2 | 176.9 | -73.8 | -176.3 | -69 | 157.4 | -2.8 | 112.2 | E199 V200 A201 R207 | E199-R203 WeakPolarHBondContact O-CG 3.45Å; E199-R203 PolarHBondContact O-N 3.43Å; E199-R203 VanDerWaalsContact O-N 3.14Å; E199-R203 PolarHBondContact O-NE 3.15Å; V200-R203 PolarHBondContact O-N 2.9Å; A201-R203 VanDerWaalsContact C-N 3.34Å; A201-R203 PolarHBondContact O-N 3.42Å; R203-R207 VanDerWaalsContact O-CG 3.3Å; R203-R207 WeakPolarHBondContact O-CG 3.35Å; R203-R207 PolarHBondContact O-N 2.75Å |
| 204 | K | 96.8 | Very high | 92.3 | Very high | 125 Ų | 125 | 84.9 Ų | 84.9 | 54% | 0.543 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.4 | -49.9 | 177.9 | -78.3 | 179.4 | 178.2 | 176 | 0 | 111.1 | V200 A201 R206 R207 L208 I225 | V200-K204 HydrophobicContact CG1-CD 3.9Å; V200-K204 HydrophobicContact CG1-CG 4.22Å; V200-K204 WeakPolarHBondContact O-CB 3.45Å; V200-K204 WeakPolarHBondContact O-CG 3.5Å; V200-K204 PolarHBondContact O-N 3.41Å; A201-K204 PolarHBondContact O-N 3.1Å; K204-R206 PolarHBondContact O-N 3.09Å; K204-R207 CarbonylContact O-C 3.51Å; K204-R207 PolarHBondContact O-N 3.31Å; K204-R207 VanDerWaalsContact O-N 3.15Å; K204-L208 PolarHBondContact O-N 2.85Å; K204-I225 HydrophobicContact CB-CD1 4.02Å; K204-I225 HydrophobicContact CB-CG1 4.4Å; K204-I225 HydrophobicContact CB-CG2 4.09Å |
| 205 | I | 97.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 82 Ų | 82 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.7 | -41 | -176.3 | -154.5 | 164.6 | 0 | 0 | 0 | 111.9 | A201 K202 R207 L208 F222 I225 A226 L229 W231 L236 Q239 | A201-I205 PolarHBondContact O-N 3.06Å; K202-I205 WeakPolarHBondContact O-CG2 3.26Å; I205-R207 PolarHBondContact O-N 3.46Å; I205-L208 WeakPolarHBondContact O-CB 3.32Å; I205-L208 PolarHBondContact O-N 3.26Å; I205-L208 VanDerWaalsContact O-N 3.15Å; I205-F222 HydrophobicContact CD1-CD1 4.4Å; I205-F222 HydrophobicContact CD1-CD2 4.11Å; I205-F222 HydrophobicContact CD1-CE1 4Å; I205-F222 HydrophobicContact CD1-CE2 3.68Å; I205-F222 HydrophobicContact CD1-CG 4.45Å; I205-F222 HydrophobicContact CD1-CZ 3.61Å; I205-F222 HydrophobicContact CG1-CD2 3.88Å; I205-F222 HydrophobicContact CG1-CE2 3.6Å; I205-F222 HydrophobicContact CG1-CZ 4.09Å; I205-I225 HydrophobicContact CB-CG2 3.72Å; I205-I225 HydrophobicContact CD1-CG2 4.41Å; I205-I225 HydrophobicContact CG1-CG2 4.3Å; I205-A226 HydrophobicContact CD1-CB 4.28Å; I205-L229 HydrophobicContact CB-CD1 4.1Å; I205-L229 HydrophobicContact CD1-CD1 3.41Å; I205-L229 VanDerWaalsContact CD1-CD1 3.41Å; I205-L229 HydrophobicContact CG1-CD1 4.36Å; I205-L229 HydrophobicContact CG2-CD1 3.73Å; I205-W231 HydrophobicContact CG2-CH2 3.85Å; I205-W231 HydrophobicContact CG2-CZ2 4.3Å; I205-W231 HydrophobicContact CG2-CZ3 4.28Å; I205-L236 HydrophobicContact CD1-CD2 4.45Å; I205-Q239 HydrophobicContact CG1-CG 4.17Å; I205-Q239 HydrophobicContact CG2-CG 4.42Å |
| 206 | R | 96.6 | Very high | 93.8 | Very high | 151 Ų | 151 | 79.3 Ų | 79.3 | 57% | 0.57 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.3 | -27.8 | 177.9 | -74.4 | 178.6 | 177.1 | -160.1 | -0.8 | 113.4 | K202 K204 R209 W231 | K202-R206 WeakPolarHBondContact O-CB 3.24Å; K202-R206 VanDerWaalsContact O-CG 3.27Å; K202-R206 WeakPolarHBondContact O-CG 2.81Å; K202-R206 PolarHBondContact O-N 3.17Å; K204-R206 PolarHBondContact O-N 3.09Å; R206-R209 PolarHBondContact O-NH1 3.16Å; R206-W231 HydrophobicContact CG-CH2 4.38Å |
| 207 | R | 96.9 | Very high | 94.3 | Very high | 193 Ų | 193 | 78 Ų | 78 | 73% | 0.728 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -94.7 | -9.8 | 178.7 | -67.4 | 175.9 | -177.6 | -176.2 | -0.6 | 112.9 | R203 K204 I205 R209 | R203-R207 VanDerWaalsContact O-CG 3.3Å; R203-R207 WeakPolarHBondContact O-CG 3.35Å; R203-R207 PolarHBondContact O-N 2.75Å; K204-R207 CarbonylContact O-C 3.51Å; K204-R207 PolarHBondContact O-N 3.31Å; K204-R207 VanDerWaalsContact O-N 3.15Å; I205-R207 PolarHBondContact O-N 3.46Å; R207-R209 PolarHBondContact O-N 3.26Å |
| 208 | L | 97.6 | Very high | 94.9 | Very high | 34 Ų | 34 | 74.7 Ų | 74.7 | 18% | 0.178 | 35% | 0.353 | C | S | . | . | trans | -68.1 | 130.5 | -178.9 | -169.6 | 70.7 | 0 | 0 | 0 | 109.2 | K204 I205 Y218 A221 F222 I225 | K204-L208 PolarHBondContact O-N 2.85Å; I205-L208 WeakPolarHBondContact O-CB 3.32Å; I205-L208 PolarHBondContact O-N 3.26Å; I205-L208 VanDerWaalsContact O-N 3.15Å; L208-Y218 HydrophobicContact CB-CE2 4.45Å; L208-Y218 HydrophobicContact CD2-CD2 4Å; L208-Y218 HydrophobicContact CD2-CE2 3.72Å; L208-Y218 HydrophobicContact CG-CD2 3.98Å; L208-Y218 HydrophobicContact CG-CE2 3.69Å; L208-A221 HydrophobicContact CD1-CB 4.16Å; L208-A221 HydrophobicContact CD2-CB 4.24Å; L208-F222 VanDerWaalsContact CD2-CA 3.5Å; L208-F222 HydrophobicContact CD2-CB 3.71Å; L208-F222 HydrophobicContact CD2-CD2 4.02Å; L208-F222 HydrophobicContact CD2-CG 4.33Å; L208-I225 HydrophobicContact CD1-CD1 4.28Å; L208-I225 HydrophobicContact CD2-CD1 4.07Å | ||
| 209 | R | 97.1 | Very high | 95.4 | Very high | 132 Ų | 132 | 69.2 Ų | 69.2 | 50% | 0.498 | 33% | 0.333 | S | S | . | . | trans | -136.3 | 141.3 | 176.9 | -64.7 | -61.7 | -179.1 | -90.4 | 6.5 | 108.6 | R206 R207 G211 G243 | R206-R209 PolarHBondContact O-NH1 3.16Å; R207-R209 PolarHBondContact O-N 3.26Å; R209-G211 VanDerWaalsContact C-N 3.3Å; R209-G211 PolarHBondContact O-N 3.43Å; R209-G243 CarbonylContact C-O 3.47Å; R209-G243 WeakPolarHBondContact CA-O 3.31Å | ||
| 210 | Q | 96.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 68.5 Ų | 68.5 | 6% | 0.056 | 33% | 0.332 | C | S | . | . | trans | -61.2 | -41.9 | 174.8 | -176.8 | -169 | -10.7 | 0 | 0 | 110.8 | M212 G213 Y218 G243 S245 | Q210-M212 PolarHBondContact O-N 2.94Å; Q210-G213 PolarHBondContact NE2-O 3.38Å; Q210-G213 PolarHBondContact O-N 2.93Å; Q210-G213 VanDerWaalsContact O-N 3.07Å; Q210-Y218 HydrophobicContact CB-CD1 4.18Å; Q210-Y218 HydrophobicContact CB-CD2 3.99Å; Q210-Y218 HydrophobicContact CB-CG 3.79Å; Q210-Y218 HydrophobicContact CG-CG 4.21Å; Q210-G243 PolarHBondContact N-O 3.32Å; Q210-S245 VanDerWaalsContact CD-OG 3.32Å; Q210-S245 PolarHBondContact NE2-OG 3.48Å; Q210-S245 PolarHBondContact OE1-OG 3.36Å | ||
| 211 | G | 92.9 | Very high | 95.9 | Very high | 50 Ų | 50 | 68.3 Ų | 68.3 | 52% | 0.515 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | -132.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R209 G213 | R209-G211 VanDerWaalsContact C-N 3.3Å; R209-G211 PolarHBondContact O-N 3.43Å; G211-G213 VanDerWaalsContact C-N 3.34Å |
| 212 | M | 89.6 | Confident | 96.1 | Very high | 204 Ų | 204 | 68.1 Ų | 68.1 | 100% | 1.005 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2.7 | 174.2 | -61.9 | -174.6 | -68.7 | 0 | 0 | 113.3 | Q210 | Q210-M212 PolarHBondContact O-N 2.94Š|
| 213 | G | 92 | Very high | 96.2 | Very high | 35 Ų | 35 | 69.9 Ų | 69.9 | 36% | 0.361 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -75.6 | 166.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q210 G211 | Q210-G213 PolarHBondContact NE2-O 3.38Å; Q210-G213 PolarHBondContact O-N 2.93Å; Q210-G213 VanDerWaalsContact O-N 3.07Å; G211-G213 VanDerWaalsContact C-N 3.34Å |
| 214 | S | 95.8 | Very high | 96.1 | Very high | 33 Ų | 33 | 70.6 Ų | 70.6 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | trans | -68.4 | 153.4 | 175.1 | 76.6 | 0 | 0 | 0 | 0 | 111.1 | I216 D217 Y218 E272 | S214-I216 PolarHBondContact O-N 2.89Å; S214-I216 PolarHBondContact OG-N 3.37Å; S214-D217 PolarHBondContact O-N 3.46Å; S214-D217 PolarHBondContact OG-N 2.66Å; S214-D217 VanDerWaalsContact OG-N 3.08Å; S214-D217 PolarHBondContact OG-OD2 3.05Å; S214-Y218 PolarHBondContact O-N 3.29Å; S214-E272 VanDerWaalsContact CA-OE1 3.26Å; S214-E272 WeakPolarHBondContact CA-OE1 3.38Å | ||
| 215 | V | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.8 | -39 | 172 | 172 | 0 | 0 | 0 | 0 | 110.3 | Y218 S219 I248 C268 I269 E272 | V215-Y218 PolarHBondContact O-N 3.24Å; V215-S219 WeakPolarHBondContact O-CB 3.32Å; V215-S219 PolarHBondContact O-N 3.47Å; V215-S219 PolarHBondContact O-OG 3.44Å; V215-I248 HydrophobicContact CG2-CD1 4.26Å; V215-I248 HydrophobicContact CG2-CG1 4.18Å; V215-C268 HydrophobicContact CG1-CB 3.42Å; V215-C268 VanDerWaalsContact CG1-CB 3.42Å; V215-C268 HydrophobicContact CG2-CB 4.32Å; V215-I269 HydrophobicContact CB-CG1 4.41Å; V215-I269 HydrophobicContact CG1-CG1 3.81Å; V215-E272 HydrophobicContact CG2-CB 3.96Å; V215-E272 HydrophobicContact CG2-CG 4.34Å; V215-E272 PolarHBondContact N-OE1 3.5Å |
| 216 | I | 96.5 | Very high | 96 | Very high | 66 Ų | 66 | 66.6 Ų | 66.6 | 34% | 0.338 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | -178.5 | -63.4 | 175.9 | 0 | 0 | 0 | 111.3 | S214 Y218 S219 N220 I269 | S214-I216 PolarHBondContact O-N 2.89Å; S214-I216 PolarHBondContact OG-N 3.37Å; I216-Y218 VanDerWaalsContact C-N 3.31Å; I216-Y218 PolarHBondContact O-N 3.02Å; I216-S219 PolarHBondContact O-N 2.88Å; I216-N220 VanDerWaalsContact O-CG 3.28Å; I216-N220 PolarHBondContact O-N 3.5Å; I216-N220 PolarHBondContact O-ND2 3.08Å; I216-I269 HydrophobicContact CG1-CD1 3.93Å; I216-I269 HydrophobicContact CG1-CG1 3.96Å |
| 217 | D | 96.8 | Very high | 95.8 | Very high | 102 Ų | 102 | 66.9 Ų | 66.9 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 179.9 | -60.9 | -41.5 | 0 | 0 | 0 | 111.1 | S214 N220 A221 | S214-D217 PolarHBondContact O-N 3.46Å; S214-D217 PolarHBondContact OG-N 2.66Å; S214-D217 VanDerWaalsContact OG-N 3.08Å; S214-D217 PolarHBondContact OG-OD2 3.05Å; D217-N220 PolarHBondContact O-N 3.29Å; D217-A221 WeakPolarHBondContact O-CB 3.48Å; D217-A221 PolarHBondContact O-N 3.39Å |
| 218 | Y | 97.9 | Very high | 95.5 | Very high | 9 Ų | 9 | 59.8 Ų | 59.8 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 173.8 | 172.6 | -108.6 | 0 | 0 | 0 | 112 | L208 Q210 S214 V215 I216 N220 A221 F222 Y240 G243 L244 | L208-Y218 HydrophobicContact CB-CE2 4.45Å; L208-Y218 HydrophobicContact CD2-CD2 4Å; L208-Y218 HydrophobicContact CD2-CE2 3.72Å; L208-Y218 HydrophobicContact CG-CD2 3.98Å; L208-Y218 HydrophobicContact CG-CE2 3.69Å; Q210-Y218 HydrophobicContact CB-CD1 4.18Å; Q210-Y218 HydrophobicContact CB-CD2 3.99Å; Q210-Y218 HydrophobicContact CB-CG 3.79Å; Q210-Y218 HydrophobicContact CG-CG 4.21Å; S214-Y218 PolarHBondContact O-N 3.29Å; V215-Y218 PolarHBondContact O-N 3.24Å; I216-Y218 VanDerWaalsContact C-N 3.31Å; I216-Y218 PolarHBondContact O-N 3.02Å; Y218-N220 PolarHBondContact O-N 3.43Å; Y218-A221 PolarHBondContact O-N 2.89Å; Y218-F222 WeakPolarHBondContact O-CB 3.36Å; Y218-F222 PolarHBondContact O-N 3.46Å; Y218-Y240 HydrophobicContact CD1-CD2 4.47Å; Y218-Y240 AromaticContact CD1-CE2 3.67Å; Y218-Y240 HydrophobicContact CD1-CE2 3.67Å; Y218-Y240 AromaticContact CD1-CZ 3.7Å; Y218-Y240 HydrophobicContact CE1-CD1 4.32Å; Y218-Y240 AromaticContact CE1-CD2 3.68Å; Y218-Y240 HydrophobicContact CE1-CD2 3.68Å; Y218-Y240 HydrophobicContact CE1-CE1 4.02Å; Y218-Y240 AromaticContact CE1-CE2 3.3Å; Y218-Y240 HydrophobicContact CE1-CE2 3.3Å; Y218-Y240 HydrophobicContact CE1-CG 4.17Å; Y218-Y240 AromaticContact CE1-CZ 3.49Å; Y218-Y240 VanDerWaalsContact CE1-CZ 3.49Å; Y218-Y240 PolarHBondContact OH-O 3.07Å; Y218-G243 WeakPolarHBondContact OH-CA 3.21Å; Y218-L244 HydrophobicContact CD1-CD2 3.8Å; Y218-L244 HydrophobicContact CE1-CD2 3.62Å; Y218-L244 HydrophobicContact CE1-CG 4.08Å |
| 219 | S | 97.7 | Very high | 95.2 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.8 | -46.8 | 176.4 | -58.3 | 0 | 0 | 0 | 0 | 112 | V215 I216 F222 Q223 Y240 I265 | V215-S219 WeakPolarHBondContact O-CB 3.32Å; V215-S219 PolarHBondContact O-N 3.47Å; V215-S219 PolarHBondContact O-OG 3.44Å; I216-S219 PolarHBondContact O-N 2.88Å; S219-F222 PolarHBondContact O-N 3.23Å; S219-Q223 WeakPolarHBondContact O-CB 3.36Å; S219-Q223 WeakPolarHBondContact O-CG 3.46Å; S219-Q223 PolarHBondContact O-N 3.21Å; S219-Y240 PolarHBondContact OG-OH 2.91Å; S219-I265 WeakPolarHBondContact OG-CG2 3.3Å |
| 220 | N | 97.2 | Very high | 94.8 | Very high | 81 Ų | 81 | 58.5 Ų | 58.5 | 43% | 0.433 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 179.4 | -69.7 | -23.8 | 0 | 0 | 0 | 111.1 | I216 D217 Y218 F222 Q223 M224 | I216-N220 VanDerWaalsContact O-CG 3.28Å; I216-N220 PolarHBondContact O-N 3.5Å; I216-N220 PolarHBondContact O-ND2 3.08Å; D217-N220 PolarHBondContact O-N 3.29Å; Y218-N220 PolarHBondContact O-N 3.43Å; N220-F222 VanDerWaalsContact C-N 3.32Å; N220-F222 PolarHBondContact O-N 3.48Å; N220-Q223 PolarHBondContact O-N 3.01Å; N220-M224 WeakPolarHBondContact O-CB 3.49Å; N220-M224 VanDerWaalsContact O-CG 3.31Å; N220-M224 WeakPolarHBondContact O-CG 3.34Å; N220-M224 PolarHBondContact O-N 3.42Å |
| 221 | A | 97.2 | Very high | 94.7 | Very high | 35 Ų | 35 | 60.7 Ų | 60.7 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L208 D217 Y218 I225 | L208-A221 HydrophobicContact CD1-CB 4.16Å; L208-A221 HydrophobicContact CD2-CB 4.24Å; D217-A221 WeakPolarHBondContact O-CB 3.48Å; D217-A221 PolarHBondContact O-N 3.39Å; Y218-A221 PolarHBondContact O-N 2.89Å; A221-I225 WeakPolarHBondContact O-CD1 3.31Å; A221-I225 VanDerWaalsContact O-CG1 3.29Å; A221-I225 WeakPolarHBondContact O-CG1 3.38Å; A221-I225 PolarHBondContact O-N 3.19Å; A221-I225 VanDerWaalsContact O-N 3.16Å |
| 222 | F | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.6 | -48.9 | 177.6 | -172.9 | -82.4 | 0 | 0 | 0 | 111.4 | I205 L208 Y218 S219 N220 M224 I225 A226 L236 Q239 Y240 L261 | I205-F222 HydrophobicContact CD1-CD1 4.4Å; I205-F222 HydrophobicContact CD1-CD2 4.11Å; I205-F222 HydrophobicContact CD1-CE1 4Å; I205-F222 HydrophobicContact CD1-CE2 3.68Å; I205-F222 HydrophobicContact CD1-CG 4.45Å; I205-F222 HydrophobicContact CD1-CZ 3.61Å; I205-F222 HydrophobicContact CG1-CD2 3.88Å; I205-F222 HydrophobicContact CG1-CE2 3.6Å; I205-F222 HydrophobicContact CG1-CZ 4.09Å; L208-F222 VanDerWaalsContact CD2-CA 3.5Å; L208-F222 HydrophobicContact CD2-CB 3.71Å; L208-F222 HydrophobicContact CD2-CD2 4.02Å; L208-F222 HydrophobicContact CD2-CG 4.33Å; Y218-F222 WeakPolarHBondContact O-CB 3.36Å; Y218-F222 PolarHBondContact O-N 3.46Å; S219-F222 PolarHBondContact O-N 3.23Å; N220-F222 VanDerWaalsContact C-N 3.32Å; N220-F222 PolarHBondContact O-N 3.48Å; F222-M224 PolarHBondContact O-N 2.98Å; F222-I225 PolarHBondContact O-N 3.42Å; F222-A226 HydrophobicContact CD1-CB 4.41Å; F222-A226 HydrophobicContact CE1-CB 4.37Å; F222-A226 WeakPolarHBondContact O-CB 3.23Å; F222-A226 PolarHBondContact O-N 3.27Å; F222-L236 HydrophobicContact CE1-CB 4.44Å; F222-L236 HydrophobicContact CE1-CD2 4.14Å; F222-L236 HydrophobicContact CZ-CD2 4.3Å; F222-L236 WeakPolarHBondContact CZ-O 3.45Å; F222-Q239 HydrophobicContact CE2-CB 4.3Å; F222-Q239 HydrophobicContact CE2-CG 4.01Å; F222-Q239 HydrophobicContact CZ-CB 4.29Å; F222-Q239 HydrophobicContact CZ-CG 4.38Å; F222-Y240 HydrophobicContact CB-CD2 4.07Å; F222-Y240 HydrophobicContact CB-CE2 4.16Å; F222-Y240 AromaticContact CD1-CD2 3.74Å; F222-Y240 HydrophobicContact CD1-CD2 3.74Å; F222-Y240 HydrophobicContact CD1-CE2 4.47Å; F222-Y240 AromaticContact CD2-CD2 3.73Å; F222-Y240 HydrophobicContact CD2-CD2 3.73Å; F222-Y240 HydrophobicContact CE1-CD2 4.05Å; F222-Y240 VanDerWaalsContact CE2-CA 3.49Å; F222-Y240 HydrophobicContact CE2-CD2 4.05Å; F222-Y240 HydrophobicContact CE2-CG 4.46Å; F222-Y240 AromaticContact CG-CD2 3.58Å; F222-Y240 HydrophobicContact CG-CD2 3.58Å; F222-Y240 HydrophobicContact CG-CE2 4.17Å; F222-Y240 HydrophobicContact CZ-CD2 4.2Å; F222-L261 HydrophobicContact CD1-CD2 4.36Å; F222-L261 HydrophobicContact CE1-CD1 4.24Å; F222-L261 HydrophobicContact CE1-CD2 4.05Å |
| 223 | Q | 96.5 | Very high | 95 | Very high | 84 Ų | 84 | 57.9 Ų | 57.9 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 179.9 | -75.2 | 179.6 | -36.2 | 0 | 0 | 112 | S219 N220 I225 A226 Q227 I265 | S219-Q223 WeakPolarHBondContact O-CB 3.36Å; S219-Q223 WeakPolarHBondContact O-CG 3.46Å; S219-Q223 PolarHBondContact O-N 3.21Å; N220-Q223 PolarHBondContact O-N 3.01Å; Q223-I225 VanDerWaalsContact C-N 3.32Å; Q223-I225 PolarHBondContact O-N 2.93Å; Q223-A226 PolarHBondContact O-N 3.37Å; Q223-Q227 WeakPolarHBondContact O-CG 3.28Å; Q223-Q227 PolarHBondContact O-N 3.16Å; Q223-Q227 VanDerWaalsContact O-N 3.17Å; Q223-I265 HydrophobicContact CG-CD1 4.27Å |
| 224 | M | 94.6 | Very high | 95.1 | Very high | 132 Ų | 132 | 59.9 Ų | 59.9 | 65% | 0.65 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -58.5 | -43.2 | 174.7 | -76.2 | 180 | 58.5 | 0 | 0 | 112.2 | N220 F222 | N220-M224 WeakPolarHBondContact O-CB 3.49Å; N220-M224 VanDerWaalsContact O-CG 3.31Å; N220-M224 WeakPolarHBondContact O-CG 3.34Å; N220-M224 PolarHBondContact O-N 3.42Å; F222-M224 PolarHBondContact O-N 2.98Å |
| 225 | I | 95.6 | Very high | 95.1 | Very high | 26 Ų | 26 | 59.9 Ų | 59.9 | 13% | 0.133 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.6 | -36.1 | 178.2 | -60.5 | 161.5 | 0 | 0 | 0 | 110.8 | A201 K204 I205 L208 A221 F222 Q223 Q227 D228 | A201-I225 HydrophobicContact CB-CG2 3.94Å; A201-I225 VanDerWaalsContact O-CG2 3.27Å; A201-I225 WeakPolarHBondContact O-CG2 3.23Å; K204-I225 HydrophobicContact CB-CD1 4.02Å; K204-I225 HydrophobicContact CB-CG1 4.4Å; K204-I225 HydrophobicContact CB-CG2 4.09Å; I205-I225 HydrophobicContact CB-CG2 3.72Å; I205-I225 HydrophobicContact CD1-CG2 4.41Å; I205-I225 HydrophobicContact CG1-CG2 4.3Å; L208-I225 HydrophobicContact CD1-CD1 4.28Å; L208-I225 HydrophobicContact CD2-CD1 4.07Å; A221-I225 WeakPolarHBondContact O-CD1 3.31Å; A221-I225 VanDerWaalsContact O-CG1 3.29Å; A221-I225 WeakPolarHBondContact O-CG1 3.38Å; A221-I225 PolarHBondContact O-N 3.19Å; A221-I225 VanDerWaalsContact O-N 3.16Å; F222-I225 PolarHBondContact O-N 3.42Å; Q223-I225 VanDerWaalsContact C-N 3.32Å; Q223-I225 PolarHBondContact O-N 2.93Å; I225-Q227 PolarHBondContact O-N 3.43Å; I225-D228 PolarHBondContact O-N 3.37Å |
| 226 | A | 95.3 | Very high | 95.1 | Very high | 17 Ų | 17 | 61.1 Ų | 61.1 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.8 | -23.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I205 F222 Q223 D228 L229 L236 | I205-A226 HydrophobicContact CD1-CB 4.28Å; F222-A226 HydrophobicContact CD1-CB 4.41Å; F222-A226 HydrophobicContact CE1-CB 4.37Å; F222-A226 WeakPolarHBondContact O-CB 3.23Å; F222-A226 PolarHBondContact O-N 3.27Å; Q223-A226 PolarHBondContact O-N 3.37Å; A226-D228 PolarHBondContact O-N 3.33Å; A226-L229 PolarHBondContact O-N 3.25Å; A226-L229 VanDerWaalsContact O-N 3.07Å; A226-L236 HydrophobicContact CB-CD2 4.04Å |
| 227 | Q | 91.7 | Very high | 95.1 | Very high | 157 Ų | 157 | 59 Ų | 59 | 73% | 0.734 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.5 | 174.7 | -73.5 | 178 | -12.6 | 0 | 0 | 113.2 | Q223 I225 L229 | Q223-Q227 WeakPolarHBondContact O-CG 3.28Å; Q223-Q227 PolarHBondContact O-N 3.16Å; Q223-Q227 VanDerWaalsContact O-N 3.17Å; I225-Q227 PolarHBondContact O-N 3.43Å; Q227-L229 VanDerWaalsContact C-N 3.33Å |
| 228 | D | 90.8 | Very high | 95 | Very high | 44 Ų | 44 | 59 Ų | 59 | 24% | 0.235 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 11.8 | -179.5 | -65.9 | -21 | 0 | 0 | 0 | 112.6 | R197 R198 A201 I225 A226 | R197-D228 HydrophobicContact CG-CB 4.41Å; R197-D228 WeakPolarHBondContact CG-OD2 3.49Å; R197-D228 IonicContact CZ-OD1 3.82Å; R197-D228 IonicContact CZ-OD2 2.95Å; R197-D228 IonicContact NE-OD1 3.73Å; R197-D228 PolarHBondContact NE-OD1 3.03Å; R197-D228 IonicContact NE-OD2 2.66Å; R197-D228 PolarHBondContact NE-OD2 3.33Å; R197-D228 IonicContact NH2-OD1 2.84Å; R197-D228 PolarHBondContact NH2-OD1 2.92Å; R197-D228 IonicContact NH2-OD2 3.74Å; R198-D228 WeakPolarHBondContact CG-O 3.44Å; A201-D228 HydrophobicContact CB-CB 3.67Å; I225-D228 PolarHBondContact O-N 3.37Å; A226-D228 PolarHBondContact O-N 3.33Å |
| 229 | L | 91.4 | Very high | 95 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | trans | -121.1 | 138.2 | -174.6 | -61.7 | 179.6 | 0 | 0 | 0 | 112.8 | A201 K202 I205 A226 Q227 W231 | A201-L229 HydrophobicContact CB-CD2 3.75Å; A201-L229 HydrophobicContact CB-CG 4.17Å; K202-L229 HydrophobicContact CB-CD2 4.35Å; K202-L229 HydrophobicContact CG-CD2 3.53Å; I205-L229 HydrophobicContact CB-CD1 4.1Å; I205-L229 HydrophobicContact CD1-CD1 3.41Å; I205-L229 VanDerWaalsContact CD1-CD1 3.41Å; I205-L229 HydrophobicContact CG1-CD1 4.36Å; I205-L229 HydrophobicContact CG2-CD1 3.73Å; A226-L229 PolarHBondContact O-N 3.25Å; A226-L229 VanDerWaalsContact O-N 3.07Å; Q227-L229 VanDerWaalsContact C-N 3.33Å; L229-W231 HydrophobicContact CB-CG 4.23Å; L229-W231 HydrophobicContact CD1-CD2 4.3Å; L229-W231 PolarHBondContact O-N 2.96Å | ||
| 230 | D | 89.7 | Confident | 95 | Very high | 119 Ų | 119 | 59.2 Ų | 59.2 | 64% | 0.636 | 31% | 0.314 | S | S | * | . | trans | -88.3 | 26.9 | 178 | -26.2 | -45.2 | 0 | 0 | 0 | 111.9 | R198 | R198-D230 WeakPolarHBondContact CD-OD2 3.37Å; R198-D230 IonicContact CZ-OD2 3.89Å; R198-D230 IonicContact NE-OD2 2.63Å; R198-D230 IonicContact NH1-OD2 3.64Å; R198-D230 PolarHBondContact NH1-OD2 2.97Å | ||
| 231 | W | 93.4 | Very high | 94.9 | Very high | 59 Ų | 59 | 58.7 Ų | 58.7 | 22% | 0.223 | 31% | 0.309 | C | S | . | . | trans | -81.7 | 141.6 | -171.6 | -70.6 | 18.3 | 0 | 0 | 0 | 111 | K202 I205 R206 L229 A235 L236 Q239 | K202-W231 HydrophobicContact CG-CZ2 4.37Å; I205-W231 HydrophobicContact CG2-CH2 3.85Å; I205-W231 HydrophobicContact CG2-CZ2 4.3Å; I205-W231 HydrophobicContact CG2-CZ3 4.28Å; R206-W231 HydrophobicContact CG-CH2 4.38Å; L229-W231 HydrophobicContact CB-CG 4.23Å; L229-W231 HydrophobicContact CD1-CD2 4.3Å; L229-W231 PolarHBondContact O-N 2.96Å; W231-A235 HydrophobicContact CB-CB 4.33Å; W231-A235 HydrophobicContact CE3-CB 4.14Å; W231-L236 HydrophobicContact CB-CD2 3.87Å; W231-L236 HydrophobicContact CB-CG 3.96Å; W231-L236 HydrophobicContact CE3-CD2 4.2Å; W231-Q239 HydrophobicContact CE3-CB 4.46Å; W231-Q239 HydrophobicContact CH2-CG 4.3Å; W231-Q239 HydrophobicContact CZ3-CB 3.71Å; W231-Q239 HydrophobicContact CZ3-CG 3.73Å | ||
| 232 | N | 94.6 | Very high | 94.8 | Very high | 105 Ų | 105 | 62.4 Ų | 62.4 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | trans | -74 | 162.9 | 172.6 | 65.7 | 28.1 | 0 | 0 | 0 | 111.1 | P234 A235 L236 | N232-P234 WeakPolarHBondContact OD1-CD 3.42Å; N232-A235 PolarHBondContact O-N 3.41Å; N232-A235 VanDerWaalsContact O-N 3.16Å; N232-A235 VanDerWaalsContact OD1-CB 3.24Å; N232-A235 WeakPolarHBondContact OD1-CB 3.41Å; N232-A235 PolarHBondContact OD1-N 3.42Å; N232-L236 PolarHBondContact O-N 3.3Å | ||
| 233 | E | 94.3 | Very high | 94.7 | Very high | 89 Ų | 89 | 62.4 Ų | 62.4 | 42% | 0.416 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.6 | -40.9 | -174.9 | -170.6 | 152.7 | -146.7 | 0 | 0 | 114.1 | A235 L236 I237 S260 L261 | E233-A235 PolarHBondContact O-N 2.93Å; E233-L236 PolarHBondContact O-N 3.49Å; E233-I237 HydrophobicContact CG-CD1 3.98Å; E233-I237 HydrophobicContact CG-CG1 4.47Å; E233-I237 WeakPolarHBondContact O-CG1 3.39Å; E233-I237 PolarHBondContact O-N 2.89Å; E233-S260 WeakPolarHBondContact OE1-CA 3.45Å; E233-S260 WeakPolarHBondContact OE1-CB 3.45Å; E233-L261 PolarHBondContact OE1-N 2.92Å |
| 234 | P | 95.3 | Very high | 94.7 | Very high | 78 Ų | 78 | 58.8 Ų | 58.8 | 51% | 0.506 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.7 | -45.2 | 172.4 | -26.9 | 35.8 | 0 | 0 | 0 | 113.7 | N232 L236 I237 D238 | N232-P234 WeakPolarHBondContact OD1-CD 3.42Å; P234-L236 VanDerWaalsContact C-N 3.29Å; P234-L236 PolarHBondContact O-N 3.45Å; P234-I237 WeakPolarHBondContact O-CB 3.2Å; P234-I237 PolarHBondContact O-N 3.32Å; P234-D238 PolarHBondContact O-N 2.92Å |
| 235 | A | 95.9 | Very high | 94.8 | Very high | 33 Ų | 33 | 53 Ų | 53 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.5 | -35.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | W231 N232 E233 Q239 | W231-A235 HydrophobicContact CB-CB 4.33Å; W231-A235 HydrophobicContact CE3-CB 4.14Å; N232-A235 PolarHBondContact O-N 3.41Å; N232-A235 VanDerWaalsContact O-N 3.16Å; N232-A235 VanDerWaalsContact OD1-CB 3.24Å; N232-A235 WeakPolarHBondContact OD1-CB 3.41Å; N232-A235 PolarHBondContact OD1-N 3.42Å; E233-A235 PolarHBondContact O-N 2.93Å; A235-Q239 VanDerWaalsContact O-CB 3.31Å; A235-Q239 WeakPolarHBondContact O-CB 3.42Å; A235-Q239 PolarHBondContact O-N 3.36Å; A235-Q239 VanDerWaalsContact O-N 3.09Å |
| 236 | L | 96.5 | Very high | 94.7 | Very high | 26 Ų | 26 | 58 Ų | 58 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.2 | -41.8 | 173.9 | -68.2 | 174.2 | 0 | 0 | 0 | 111.7 | I205 F222 A226 W231 N232 E233 P234 Y240 L261 | I205-L236 HydrophobicContact CD1-CD2 4.45Å; F222-L236 HydrophobicContact CE1-CB 4.44Å; F222-L236 HydrophobicContact CE1-CD2 4.14Å; F222-L236 HydrophobicContact CZ-CD2 4.3Å; F222-L236 WeakPolarHBondContact CZ-O 3.45Å; A226-L236 HydrophobicContact CB-CD2 4.04Å; W231-L236 HydrophobicContact CB-CD2 3.87Å; W231-L236 HydrophobicContact CB-CG 3.96Å; W231-L236 HydrophobicContact CE3-CD2 4.2Å; N232-L236 PolarHBondContact O-N 3.3Å; E233-L236 PolarHBondContact O-N 3.49Å; P234-L236 VanDerWaalsContact C-N 3.29Å; P234-L236 PolarHBondContact O-N 3.45Å; L236-Y240 WeakPolarHBondContact O-CB 3.36Å; L236-Y240 PolarHBondContact O-N 3.28Å; L236-L261 HydrophobicContact CB-CD2 4.37Å; L236-L261 HydrophobicContact CD1-CD2 4.49Å |
| 237 | I | 96.1 | Very high | 94.6 | Very high | 20 Ų | 20 | 61.7 Ų | 61.7 | 10% | 0.103 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.1 | -50.4 | 176.1 | -75.6 | 165.3 | 0 | 0 | 0 | 110.6 | E233 P234 Q239 Y240 H241 L261 L264 | E233-I237 HydrophobicContact CG-CD1 3.98Å; E233-I237 HydrophobicContact CG-CG1 4.47Å; E233-I237 WeakPolarHBondContact O-CG1 3.39Å; E233-I237 PolarHBondContact O-N 2.89Å; P234-I237 WeakPolarHBondContact O-CB 3.2Å; P234-I237 PolarHBondContact O-N 3.32Å; I237-Q239 PolarHBondContact O-N 3.32Å; I237-Y240 PolarHBondContact O-N 3.06Å; I237-H241 WeakPolarHBondContact O-CB 3.22Å; I237-H241 PolarHBondContact O-N 3.42Å; I237-L261 HydrophobicContact CG1-CB 4.49Å; I237-L264 HydrophobicContact CB-CD2 4.48Å; I237-L264 HydrophobicContact CG1-CD2 4.49Å; I237-L264 HydrophobicContact CG2-CD2 4.05Å |
| 238 | D | 95.4 | Very high | 94.8 | Very high | 104 Ų | 104 | 54.2 Ų | 54.2 | 56% | 0.556 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.4 | -48.5 | -179.4 | -70.1 | -17.4 | 0 | 0 | 0 | 110.8 | P234 Y240 H241 E242 | P234-D238 PolarHBondContact O-N 2.92Å; D238-Y240 VanDerWaalsContact C-N 3.33Å; D238-Y240 PolarHBondContact O-N 2.97Å; D238-H241 WeakPolarHBondContact O-CB 3.35Å; D238-H241 PolarHBondContact O-N 3.02Å; D238-E242 WeakPolarHBondContact O-CG 3.37Å; D238-E242 PolarHBondContact O-N 3.36Å |
| 239 | Q | 97.4 | Very high | 95 | Very high | 16 Ų | 16 | 54.5 Ų | 54.5 | 8% | 0.075 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66 | -36.2 | 179.2 | -174.4 | 63.7 | 81.7 | 0 | 0 | 113 | I205 F222 W231 A235 I237 H241 E242 G243 | I205-Q239 HydrophobicContact CG1-CG 4.17Å; I205-Q239 HydrophobicContact CG2-CG 4.42Å; F222-Q239 HydrophobicContact CE2-CB 4.3Å; F222-Q239 HydrophobicContact CE2-CG 4.01Å; F222-Q239 HydrophobicContact CZ-CB 4.29Å; F222-Q239 HydrophobicContact CZ-CG 4.38Å; W231-Q239 HydrophobicContact CE3-CB 4.46Å; W231-Q239 HydrophobicContact CH2-CG 4.3Å; W231-Q239 HydrophobicContact CZ3-CB 3.71Å; W231-Q239 HydrophobicContact CZ3-CG 3.73Å; A235-Q239 VanDerWaalsContact O-CB 3.31Å; A235-Q239 WeakPolarHBondContact O-CB 3.42Å; A235-Q239 PolarHBondContact O-N 3.36Å; A235-Q239 VanDerWaalsContact O-N 3.09Å; I237-Q239 PolarHBondContact O-N 3.32Å; Q239-H241 VanDerWaalsContact C-N 3.35Å; Q239-E242 PolarHBondContact NE2-OE2 2.89Å; Q239-G243 PolarHBondContact O-N 3Å |
| 240 | Y | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 175.5 | -174.6 | -91.8 | 0 | 0 | 0 | 110.1 | Y218 S219 F222 L236 I237 D238 G243 L244 L261 L264 I265 | Y218-Y240 HydrophobicContact CD1-CD2 4.47Å; Y218-Y240 AromaticContact CD1-CE2 3.67Å; Y218-Y240 HydrophobicContact CD1-CE2 3.67Å; Y218-Y240 AromaticContact CD1-CZ 3.7Å; Y218-Y240 HydrophobicContact CE1-CD1 4.32Å; Y218-Y240 AromaticContact CE1-CD2 3.68Å; Y218-Y240 HydrophobicContact CE1-CD2 3.68Å; Y218-Y240 HydrophobicContact CE1-CE1 4.02Å; Y218-Y240 AromaticContact CE1-CE2 3.3Å; Y218-Y240 HydrophobicContact CE1-CE2 3.3Å; Y218-Y240 HydrophobicContact CE1-CG 4.17Å; Y218-Y240 AromaticContact CE1-CZ 3.49Å; Y218-Y240 VanDerWaalsContact CE1-CZ 3.49Å; Y218-Y240 PolarHBondContact OH-O 3.07Å; S219-Y240 PolarHBondContact OG-OH 2.91Å; F222-Y240 HydrophobicContact CB-CD2 4.07Å; F222-Y240 HydrophobicContact CB-CE2 4.16Å; F222-Y240 AromaticContact CD1-CD2 3.74Å; F222-Y240 HydrophobicContact CD1-CD2 3.74Å; F222-Y240 HydrophobicContact CD1-CE2 4.47Å; F222-Y240 AromaticContact CD2-CD2 3.73Å; F222-Y240 HydrophobicContact CD2-CD2 3.73Å; F222-Y240 HydrophobicContact CE1-CD2 4.05Å; F222-Y240 VanDerWaalsContact CE2-CA 3.49Å; F222-Y240 HydrophobicContact CE2-CD2 4.05Å; F222-Y240 HydrophobicContact CE2-CG 4.46Å; F222-Y240 AromaticContact CG-CD2 3.58Å; F222-Y240 HydrophobicContact CG-CD2 3.58Å; F222-Y240 HydrophobicContact CG-CE2 4.17Å; F222-Y240 HydrophobicContact CZ-CD2 4.2Å; L236-Y240 WeakPolarHBondContact O-CB 3.36Å; L236-Y240 PolarHBondContact O-N 3.28Å; I237-Y240 PolarHBondContact O-N 3.06Å; D238-Y240 VanDerWaalsContact C-N 3.33Å; D238-Y240 PolarHBondContact O-N 2.97Å; Y240-G243 PolarHBondContact O-N 3.45Å; Y240-L244 HydrophobicContact CD1-CD1 4.04Å; Y240-L244 HydrophobicContact CD1-CD2 4.4Å; Y240-L244 HydrophobicContact CD1-CG 4.19Å; Y240-L244 HydrophobicContact CE1-CD1 3.9Å; Y240-L244 HydrophobicContact CE1-CD2 3.71Å; Y240-L244 HydrophobicContact CE1-CG 3.97Å; Y240-L244 PolarHBondContact O-N 3.35Å; Y240-L261 HydrophobicContact CD1-CD1 4.49Å; Y240-L261 HydrophobicContact CD2-CD1 3.99Å; Y240-L261 HydrophobicContact CG-CD1 3.86Å; Y240-L264 HydrophobicContact CD1-CD2 3.54Å; Y240-L264 HydrophobicContact CD1-CG 3.93Å; Y240-L264 HydrophobicContact CE1-CD2 4.3Å; Y240-L264 HydrophobicContact CE1-CG 4.2Å; Y240-L264 HydrophobicContact CG-CD2 4.28Å; Y240-I265 HydrophobicContact CE1-CG1 4.28Å; Y240-I265 HydrophobicContact CE2-CG1 4.05Å |
| 241 | H | 95.4 | Very high | 95.2 | Very high | 70 Ų | 70 | 56.7 Ų | 56.7 | 32% | 0.324 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 178.9 | -163 | -81.5 | 0 | 0 | 0 | 111.3 | I237 D238 Q239 G243 L244 Q249 | I237-H241 WeakPolarHBondContact O-CB 3.22Å; I237-H241 PolarHBondContact O-N 3.42Å; D238-H241 WeakPolarHBondContact O-CB 3.35Å; D238-H241 PolarHBondContact O-N 3.02Å; Q239-H241 VanDerWaalsContact C-N 3.35Å; H241-G243 PolarHBondContact O-N 2.95Å; H241-G243 VanDerWaalsContact O-N 3.15Å; H241-L244 WeakPolarHBondContact O-CB 3.46Å; H241-L244 PolarHBondContact O-N 2.94Å; H241-L244 VanDerWaalsContact O-N 3.15Å; H241-Q249 PolarHBondContact O-NE2 3.17Å |
| 242 | E | 95.3 | Very high | 95.2 | Very high | 113 Ų | 113 | 54.5 Ų | 54.5 | 53% | 0.528 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.1 | -30.6 | 177.2 | -75.3 | -176.8 | 177.4 | 0 | 0 | 114.2 | D238 Q239 | D238-E242 WeakPolarHBondContact O-CG 3.37Å; D238-E242 PolarHBondContact O-N 3.36Å; Q239-E242 PolarHBondContact NE2-OE2 2.89Å |
| 243 | G | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -91.4 | -9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | R209 Q210 Y218 Q239 Y240 H241 | R209-G243 CarbonylContact C-O 3.47Å; R209-G243 WeakPolarHBondContact CA-O 3.31Å; Q210-G243 PolarHBondContact N-O 3.32Å; Y218-G243 WeakPolarHBondContact OH-CA 3.21Å; Q239-G243 PolarHBondContact O-N 3Å; Y240-G243 PolarHBondContact O-N 3.45Å; H241-G243 PolarHBondContact O-N 2.95Å; H241-G243 VanDerWaalsContact O-N 3.15Å |
| 244 | L | 96.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -66.3 | 158.6 | 174.7 | -71.1 | 171.2 | 0 | 0 | 0 | 111.7 | Y218 Y240 H241 I248 Q249 L252 | Y218-L244 HydrophobicContact CD1-CD2 3.8Å; Y218-L244 HydrophobicContact CE1-CD2 3.62Å; Y218-L244 HydrophobicContact CE1-CG 4.08Å; Y240-L244 HydrophobicContact CD1-CD1 4.04Å; Y240-L244 HydrophobicContact CD1-CD2 4.4Å; Y240-L244 HydrophobicContact CD1-CG 4.19Å; Y240-L244 HydrophobicContact CE1-CD1 3.9Å; Y240-L244 HydrophobicContact CE1-CD2 3.71Å; Y240-L244 HydrophobicContact CE1-CG 3.97Å; Y240-L244 PolarHBondContact O-N 3.35Å; H241-L244 WeakPolarHBondContact O-CB 3.46Å; H241-L244 PolarHBondContact O-N 2.94Å; H241-L244 VanDerWaalsContact O-N 3.15Å; L244-I248 HydrophobicContact CD1-CG2 4.25Å; L244-I248 HydrophobicContact CD2-CG2 4.41Å; L244-Q249 HydrophobicContact CB-CG 3.83Å; L244-Q249 PolarHBondContact O-NE2 3.27Å; L244-Q249 VanDerWaalsContact O-NE2 3.16Å; L244-L252 HydrophobicContact CD1-CD1 3.5Å; L244-L252 VanDerWaalsContact CD1-CD1 3.5Å |
| 245 | S | 96.4 | Very high | 94.7 | Very high | 12 Ų | 12 | 55.8 Ų | 55.8 | 8% | 0.084 | 29% | 0.288 | C | S | . | . | trans | -73.2 | 148.2 | 173.3 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | Q210 H247 I248 Q249 | Q210-S245 VanDerWaalsContact CD-OG 3.32Å; Q210-S245 PolarHBondContact NE2-OG 3.48Å; Q210-S245 PolarHBondContact OE1-OG 3.36Å; S245-H247 WeakPolarHBondContact CB-CE1 3.37Å; S245-H247 PolarHBondContact O-N 3.22Å; S245-H247 VanDerWaalsContact O-N 3.14Å; S245-H247 PolarHBondContact OG-CE1 3.47Å; S245-H247 PolarHBondContact OG-ND1 3.03Å; S245-H247 PolarHBondContact OG-NE2 2.99Å; S245-I248 PolarHBondContact O-N 2.94Å; S245-I248 VanDerWaalsContact OG-CG1 3.32Å; S245-I248 WeakPolarHBondContact OG-CG1 3.35Å; S245-Q249 PolarHBondContact O-N 3.45Å | ||
| 246 | D | 93.9 | Very high | 94.3 | Very high | 131 Ų | 131 | 62.5 Ų | 62.5 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -53.8 | -39.3 | -174.2 | -55.2 | -19.6 | 0 | 0 | 0 | 113.1 | I248 Q249 E250 | D246-I248 PolarHBondContact O-N 2.94Å; D246-Q249 PolarHBondContact O-N 3.2Å; D246-E250 WeakPolarHBondContact O-CB 3.46Å; D246-E250 PolarHBondContact O-N 2.97Å |
| 247 | H | 92.8 | Very high | 93.9 | Very high | 94 Ų | 94 | 67.5 Ų | 67.5 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69 | -30.8 | -180 | 63.4 | -87.3 | 0 | 0 | 0 | 113.4 | S245 E251 | S245-H247 WeakPolarHBondContact CB-CE1 3.37Å; S245-H247 PolarHBondContact O-N 3.22Å; S245-H247 VanDerWaalsContact O-N 3.14Å; S245-H247 PolarHBondContact OG-CE1 3.47Å; S245-H247 PolarHBondContact OG-ND1 3.03Å; S245-H247 PolarHBondContact OG-NE2 2.99Å; H247-E251 WeakPolarHBondContact O-CG 3.43Å |
| 248 | I | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -77.2 | -40.9 | 173.4 | -60 | -62.5 | 0 | 0 | 0 | 109.7 | V215 L244 S245 D246 E250 E251 L252 C268 I271 E272 L275 | V215-I248 HydrophobicContact CG2-CD1 4.26Å; V215-I248 HydrophobicContact CG2-CG1 4.18Å; L244-I248 HydrophobicContact CD1-CG2 4.25Å; L244-I248 HydrophobicContact CD2-CG2 4.41Å; S245-I248 PolarHBondContact O-N 2.94Å; S245-I248 VanDerWaalsContact OG-CG1 3.32Å; S245-I248 WeakPolarHBondContact OG-CG1 3.35Å; D246-I248 PolarHBondContact O-N 2.94Å; I248-E250 VanDerWaalsContact C-N 3.35Å; I248-E250 PolarHBondContact O-N 2.84Å; I248-E251 PolarHBondContact O-N 2.97Å; I248-L252 HydrophobicContact CG2-CD1 3.95Å; I248-L252 HydrophobicContact CG2-CG 4.32Å; I248-L252 WeakPolarHBondContact O-CB 3.37Å; I248-L252 WeakPolarHBondContact O-CG 3.4Å; I248-L252 PolarHBondContact O-N 3.23Å; I248-C268 HydrophobicContact CG2-CB 4.17Å; I248-I271 HydrophobicContact CD1-CB 4.38Å; I248-I271 HydrophobicContact CD1-CG2 3.69Å; I248-E272 HydrophobicContact CD1-CB 4.18Å; I248-L275 HydrophobicContact CD1-CD1 3.99Å |
| 249 | Q | 94.6 | Very high | 93.3 | Very high | 49 Ų | 49 | 71.7 Ų | 71.7 | 23% | 0.229 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 177.1 | -69.7 | -178.7 | 0 | 0 | 0 | 112.3 | H241 L244 S245 D246 L252 S253 | H241-Q249 PolarHBondContact O-NE2 3.17Å; L244-Q249 HydrophobicContact CB-CG 3.83Å; L244-Q249 PolarHBondContact O-NE2 3.27Å; L244-Q249 VanDerWaalsContact O-NE2 3.16Å; S245-Q249 PolarHBondContact O-N 3.45Å; D246-Q249 PolarHBondContact O-N 3.2Å; Q249-L252 PolarHBondContact O-N 2.77Å; Q249-S253 PolarHBondContact O-N 3.43Å |
| 250 | E | 93.6 | Very high | 93.2 | Very high | 131 Ų | 131 | 72.2 Ų | 72.2 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.6 | -49.4 | 176.7 | -175.8 | 174.7 | -165.3 | 0 | 0 | 111.1 | D246 I248 L252 S253 H254 | D246-E250 WeakPolarHBondContact O-CB 3.46Å; D246-E250 PolarHBondContact O-N 2.97Å; I248-E250 VanDerWaalsContact C-N 3.35Å; I248-E250 PolarHBondContact O-N 2.84Å; E250-L252 VanDerWaalsContact C-N 3.32Å; E250-L252 PolarHBondContact O-N 3.04Å; E250-S253 WeakPolarHBondContact O-CB 3.29Å; E250-S253 PolarHBondContact O-N 2.96Å; E250-S253 PolarHBondContact O-OG 3.43Å; E250-H254 PolarHBondContact O-CD2 3.12Å |
| 251 | E | 93.3 | Very high | 93.1 | Very high | 54 Ų | 54 | 73.1 Ų | 73.1 | 25% | 0.252 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.3 | -32.2 | 178.3 | -69 | -76 | 168.5 | 0 | 0 | 113 | H247 I248 S253 I271 R274 L275 | H247-E251 WeakPolarHBondContact O-CG 3.43Å; I248-E251 PolarHBondContact O-N 2.97Å; E251-S253 VanDerWaalsContact C-N 3.35Å; E251-I271 HydrophobicContact CB-CD1 4.07Å; E251-I271 HydrophobicContact CB-CG1 4.34Å; E251-I271 HydrophobicContact CB-CG2 3.55Å; E251-I271 HydrophobicContact CG-CG2 3.91Å; E251-R274 IonicContact OE2-CZ 2.9Å; E251-R274 IonicContact OE2-NH2 3.2Å; E251-R274 PolarHBondContact OE2-NH2 3.5Å; E251-L275 HydrophobicContact CG-CD1 4.37Å; E251-L275 HydrophobicContact CG-CD2 4.32Å |
| 252 | L | 93.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 73.8 Ų | 73.8 | 6% | 0.063 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68 | -32.7 | 173.7 | -79.3 | 169.2 | 0 | 0 | 0 | 112.5 | L244 I248 Q249 E250 H254 L255 L264 Q267 I271 | L244-L252 HydrophobicContact CD1-CD1 3.5Å; L244-L252 VanDerWaalsContact CD1-CD1 3.5Å; I248-L252 HydrophobicContact CG2-CD1 3.95Å; I248-L252 HydrophobicContact CG2-CG 4.32Å; I248-L252 WeakPolarHBondContact O-CB 3.37Å; I248-L252 WeakPolarHBondContact O-CG 3.4Å; I248-L252 PolarHBondContact O-N 3.23Å; Q249-L252 PolarHBondContact O-N 2.77Å; E250-L252 VanDerWaalsContact C-N 3.32Å; E250-L252 PolarHBondContact O-N 3.04Å; L252-H254 PolarHBondContact O-N 3.41Å; L252-H254 VanDerWaalsContact O-N 3.09Å; L252-L255 PolarHBondContact O-N 2.93Å; L252-L264 HydrophobicContact CD1-CD1 4.21Å; L252-L264 HydrophobicContact CD2-CD1 4.03Å; L252-Q267 HydrophobicContact CD2-CB 4.13Å; L252-I271 HydrophobicContact CD2-CD1 3.59Å; L252-I271 HydrophobicContact CG-CD1 3.66Å |
| 253 | S | 91.9 | Very high | 93.2 | Very high | 85 Ų | 85 | 70.3 Ų | 70.3 | 59% | 0.594 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.8 | -179.5 | 78.6 | 0 | 0 | 0 | 0 | 113.7 | Q249 E250 E251 | Q249-S253 PolarHBondContact O-N 3.43Å; E250-S253 WeakPolarHBondContact O-CB 3.29Å; E250-S253 PolarHBondContact O-N 2.96Å; E250-S253 PolarHBondContact O-OG 3.43Å; E251-S253 VanDerWaalsContact C-N 3.35Å |
| 254 | H | 90.3 | Very high | 93.2 | Very high | 139 Ų | 139 | 70.6 Ų | 70.6 | 64% | 0.644 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -5 | 176.9 | -58.2 | -49.9 | 0 | 0 | 0 | 113.9 | E250 L252 | E250-H254 PolarHBondContact O-CD2 3.12Å; L252-H254 PolarHBondContact O-N 3.41Å; L252-H254 VanDerWaalsContact O-N 3.09Å |
| 255 | L | 90.1 | Very high | 93.2 | Very high | 75 Ų | 75 | 71 Ų | 71 | 39% | 0.393 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -105.9 | 162.9 | -178 | -61.2 | -179.7 | 0 | 0 | 0 | 111.3 | L252 I271 | L252-L255 PolarHBondContact O-N 2.93Å; L255-I271 HydrophobicContact CD1-CD1 3.93Å; L255-I271 HydrophobicContact CD1-CG1 4.41Å |
| 256 | E | 88.3 | Confident | 93.2 | Very high | 175 Ų | 175 | 71.7 Ų | 71.7 | 82% | 0.818 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 137.9 | 171.1 | -66.8 | -175.5 | 173.3 | 0 | 0 | 111 | A258 | E256-A258 PolarHBondContact O-N 3.27Š|
| 257 | V | 87.4 | Confident | 93.3 | Very high | 131 Ų | 131 | 68 Ų | 68 | 79% | 0.794 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 123.5 | 178.4 | -178.3 | 0 | 0 | 0 | 0 | 110 | ||
| 258 | A | 89.8 | Confident | 93.5 | Very high | 12 Ų | 12 | 63.5 Ų | 63.5 | 10% | 0.099 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 137.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E256 A263 L264 | E256-A258 PolarHBondContact O-N 3.27Å; A258-A263 HydrophobicContact CB-CB 4.19Å; A258-L264 HydrophobicContact CB-CB 3.73Å; A258-L264 HydrophobicContact CB-CD1 4.31Å |
| 259 | K | 90.4 | Very high | 93.5 | Very high | 199 Ų | 199 | 64.9 Ų | 64.9 | 87% | 0.865 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -89 | -10.6 | 179.5 | -62.2 | -179 | -177.1 | 175.8 | 0 | 113.7 | ||
| 260 | S | 95.1 | Very high | 93.6 | Very high | 28 Ų | 28 | 68.3 Ų | 68.3 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -139.5 | 153.2 | 178.4 | 70.4 | 0 | 0 | 0 | 0 | 110.9 | E233 S262 A263 L264 | E233-S260 WeakPolarHBondContact OE1-CA 3.45Å; E233-S260 WeakPolarHBondContact OE1-CB 3.45Å; S260-S262 PolarHBondContact O-N 2.9Å; S260-S262 PolarHBondContact OG-OG 3.31Å; S260-A263 PolarHBondContact O-N 2.88Å; S260-A263 VanDerWaalsContact OG-CB 3.25Å; S260-A263 WeakPolarHBondContact OG-CB 3.49Å; S260-A263 PolarHBondContact OG-N 3.37Å; S260-A263 VanDerWaalsContact OG-N 3.11Å; S260-L264 PolarHBondContact O-N 3.47Å |
| 261 | L | 95.1 | Very high | 93.7 | Very high | 18 Ų | 18 | 62.3 Ų | 62.3 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 176.7 | 179 | 63.3 | 0 | 0 | 0 | 110.9 | F222 E233 L236 I237 Y240 L264 I265 | F222-L261 HydrophobicContact CD1-CD2 4.36Å; F222-L261 HydrophobicContact CE1-CD1 4.24Å; F222-L261 HydrophobicContact CE1-CD2 4.05Å; E233-L261 PolarHBondContact OE1-N 2.92Å; L236-L261 HydrophobicContact CB-CD2 4.37Å; L236-L261 HydrophobicContact CD1-CD2 4.49Å; I237-L261 HydrophobicContact CG1-CB 4.49Å; Y240-L261 HydrophobicContact CD1-CD1 4.49Å; Y240-L261 HydrophobicContact CD2-CD1 3.99Å; Y240-L261 HydrophobicContact CG-CD1 3.86Å; L261-L264 PolarHBondContact O-N 3.37Å; L261-I265 HydrophobicContact CD1-CD1 4.23Å; L261-I265 HydrophobicContact CD1-CG1 4.39Å; L261-I265 HydrophobicContact CG-CD1 3.91Å; L261-I265 HydrophobicContact CG-CG1 4.49Å; L261-I265 VanDerWaalsContact O-CG1 3.28Å; L261-I265 WeakPolarHBondContact O-CG1 3.49Å; L261-I265 PolarHBondContact O-N 3.48Å |
| 262 | S | 95.9 | Very high | 93.8 | Very high | 84 Ų | 84 | 61.9 Ų | 61.9 | 59% | 0.587 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.9 | -41.8 | 176.9 | 57.1 | 0 | 0 | 0 | 0 | 112.8 | S260 G266 | S260-S262 PolarHBondContact O-N 2.9Å; S260-S262 PolarHBondContact OG-OG 3.31Å; S262-G266 PolarHBondContact O-N 2.94Å |
| 263 | A | 95.7 | Very high | 93.9 | Very high | 40 Ų | 40 | 67.5 Ų | 67.5 | 33% | 0.331 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A258 S260 G266 Q267 | A258-A263 HydrophobicContact CB-CB 4.19Å; S260-A263 PolarHBondContact O-N 2.88Å; S260-A263 VanDerWaalsContact OG-CB 3.25Å; S260-A263 WeakPolarHBondContact OG-CB 3.49Å; S260-A263 PolarHBondContact OG-N 3.37Å; S260-A263 VanDerWaalsContact OG-N 3.11Å; A263-G266 PolarHBondContact O-N 3.2Å; A263-Q267 WeakPolarHBondContact O-CG 3.34Å; A263-Q267 PolarHBondContact O-N 3.31Å |
| 264 | L | 96.4 | Very high | 94 | Very high | 6 Ų | 6 | 68.8 Ų | 68.8 | 3% | 0.031 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61 | -48.2 | 176.2 | -178.4 | 58 | 0 | 0 | 0 | 111.8 | I237 Y240 L252 A258 S260 L261 G266 Q267 C268 | I237-L264 HydrophobicContact CB-CD2 4.48Å; I237-L264 HydrophobicContact CG1-CD2 4.49Å; I237-L264 HydrophobicContact CG2-CD2 4.05Å; Y240-L264 HydrophobicContact CD1-CD2 3.54Å; Y240-L264 HydrophobicContact CD1-CG 3.93Å; Y240-L264 HydrophobicContact CE1-CD2 4.3Å; Y240-L264 HydrophobicContact CE1-CG 4.2Å; Y240-L264 HydrophobicContact CG-CD2 4.28Å; L252-L264 HydrophobicContact CD1-CD1 4.21Å; L252-L264 HydrophobicContact CD2-CD1 4.03Å; A258-L264 HydrophobicContact CB-CB 3.73Å; A258-L264 HydrophobicContact CB-CD1 4.31Å; S260-L264 PolarHBondContact O-N 3.47Å; L261-L264 PolarHBondContact O-N 3.37Å; L264-G266 VanDerWaalsContact C-N 3.29Å; L264-G266 PolarHBondContact O-N 3.45Å; L264-Q267 PolarHBondContact O-N 3.45Å; L264-C268 PolarHBondContact O-N 2.9Å; L264-C268 PolarHBondContact O-SG 3.05Å |
| 265 | I | 96.8 | Very high | 94.1 | Very high | 16 Ų | 16 | 64.6 Ų | 64.6 | 8% | 0.082 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.6 | -46.1 | 176.2 | -71.6 | 167.1 | 0 | 0 | 0 | 110.3 | S219 Q223 Y240 L261 Q267 C268 I269 | S219-I265 WeakPolarHBondContact OG-CG2 3.3Å; Q223-I265 HydrophobicContact CG-CD1 4.27Å; Y240-I265 HydrophobicContact CE1-CG1 4.28Å; Y240-I265 HydrophobicContact CE2-CG1 4.05Å; L261-I265 HydrophobicContact CD1-CD1 4.23Å; L261-I265 HydrophobicContact CD1-CG1 4.39Å; L261-I265 HydrophobicContact CG-CD1 3.91Å; L261-I265 HydrophobicContact CG-CG1 4.49Å; L261-I265 VanDerWaalsContact O-CG1 3.28Å; L261-I265 WeakPolarHBondContact O-CG1 3.49Å; L261-I265 PolarHBondContact O-N 3.48Å; I265-Q267 PolarHBondContact O-N 3.06Å; I265-C268 PolarHBondContact O-N 3.39Å; I265-I269 HydrophobicContact CG2-CD1 3.78Å; I265-I269 HydrophobicContact CG2-CG1 4.49Å; I265-I269 WeakPolarHBondContact O-CG1 3.36Å; I265-I269 PolarHBondContact O-N 3.38Å |
| 266 | G | 96.2 | Very high | 94.2 | Very high | 26 Ų | 26 | 63.9 Ų | 63.9 | 27% | 0.268 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58 | -47.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S262 A263 L264 C268 I269 H270 | S262-G266 PolarHBondContact O-N 2.94Å; A263-G266 PolarHBondContact O-N 3.2Å; L264-G266 VanDerWaalsContact C-N 3.29Å; L264-G266 PolarHBondContact O-N 3.45Å; G266-C268 PolarHBondContact O-N 3.23Å; G266-I269 PolarHBondContact O-N 3.26Å; G266-H270 PolarHBondContact O-CD2 3.03Å; G266-H270 PolarHBondContact O-N 3.33Å |
| 267 | Q | 96.3 | Very high | 94.4 | Very high | 53 Ų | 53 | 63.3 Ų | 63.3 | 25% | 0.248 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 176.3 | -71.3 | 175.5 | 1.7 | 0 | 0 | 111.7 | L252 A263 L264 I265 I269 H270 I271 | L252-Q267 HydrophobicContact CD2-CB 4.13Å; A263-Q267 WeakPolarHBondContact O-CG 3.34Å; A263-Q267 PolarHBondContact O-N 3.31Å; L264-Q267 PolarHBondContact O-N 3.45Å; I265-Q267 PolarHBondContact O-N 3.06Å; Q267-I269 PolarHBondContact O-N 2.9Å; Q267-H270 PolarHBondContact O-N 2.65Å; Q267-I271 VanDerWaalsContact O-CG1 3.32Å; Q267-I271 WeakPolarHBondContact O-CG1 3.34Å; Q267-I271 PolarHBondContact O-N 3.09Å |
| 268 | C | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 179.5 | -62.4 | 0 | 0 | 0 | 0 | 112 | V215 I248 L264 I265 G266 H270 I271 E272 | V215-C268 HydrophobicContact CG1-CB 3.42Å; V215-C268 VanDerWaalsContact CG1-CB 3.42Å; V215-C268 HydrophobicContact CG2-CB 4.32Å; I248-C268 HydrophobicContact CG2-CB 4.17Å; L264-C268 PolarHBondContact O-N 2.9Å; L264-C268 PolarHBondContact O-SG 3.05Å; I265-C268 PolarHBondContact O-N 3.39Å; G266-C268 PolarHBondContact O-N 3.23Å; C268-H270 VanDerWaalsContact C-N 3.31Å; C268-H270 PolarHBondContact O-N 2.86Å; C268-I271 PolarHBondContact O-N 3.23Å; C268-E272 PolarHBondContact O-N 3.07Å |
| 269 | I | 96.2 | Very high | 94.6 | Very high | 30 Ų | 30 | 61.5 Ų | 61.5 | 15% | 0.154 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 177.8 | -66.7 | 168 | 0 | 0 | 0 | 110.7 | V215 I216 I265 G266 Q267 R273 | V215-I269 HydrophobicContact CB-CG1 4.41Å; V215-I269 HydrophobicContact CG1-CG1 3.81Å; I216-I269 HydrophobicContact CG1-CD1 3.93Å; I216-I269 HydrophobicContact CG1-CG1 3.96Å; I265-I269 HydrophobicContact CG2-CD1 3.78Å; I265-I269 HydrophobicContact CG2-CG1 4.49Å; I265-I269 WeakPolarHBondContact O-CG1 3.36Å; I265-I269 PolarHBondContact O-N 3.38Å; G266-I269 PolarHBondContact O-N 3.26Å; Q267-I269 PolarHBondContact O-N 2.9Å; I269-R273 WeakPolarHBondContact O-CG 3.16Å; I269-R273 PolarHBondContact O-N 2.83Å |
| 270 | H | 96 | Very high | 94.6 | Very high | 121 Ų | 121 | 55.2 Ų | 55.2 | 56% | 0.56 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65.4 | -41.2 | 176.2 | -74.3 | -54.3 | 0 | 0 | 0 | 112.6 | G266 Q267 C268 R273 R274 | G266-H270 PolarHBondContact O-CD2 3.03Å; G266-H270 PolarHBondContact O-N 3.33Å; Q267-H270 PolarHBondContact O-N 2.65Å; C268-H270 VanDerWaalsContact C-N 3.31Å; C268-H270 PolarHBondContact O-N 2.86Å; H270-R273 PolarHBondContact O-N 2.97Å; H270-R274 WeakPolarHBondContact O-CB 3.45Å; H270-R274 PolarHBondContact O-N 2.92Å |
| 271 | I | 95.7 | Very high | 94.2 | Very high | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.2 | -51.2 | 174.7 | -68.8 | 166.2 | 0 | 0 | 0 | 110 | I248 E251 L252 L255 Q267 C268 R273 R274 L275 | I248-I271 HydrophobicContact CD1-CB 4.38Å; I248-I271 HydrophobicContact CD1-CG2 3.69Å; E251-I271 HydrophobicContact CB-CD1 4.07Å; E251-I271 HydrophobicContact CB-CG1 4.34Å; E251-I271 HydrophobicContact CB-CG2 3.55Å; E251-I271 HydrophobicContact CG-CG2 3.91Å; L252-I271 HydrophobicContact CD2-CD1 3.59Å; L252-I271 HydrophobicContact CG-CD1 3.66Å; L255-I271 HydrophobicContact CD1-CD1 3.93Å; L255-I271 HydrophobicContact CD1-CG1 4.41Å; Q267-I271 VanDerWaalsContact O-CG1 3.32Å; Q267-I271 WeakPolarHBondContact O-CG1 3.34Å; Q267-I271 PolarHBondContact O-N 3.09Å; C268-I271 PolarHBondContact O-N 3.23Å; I271-R273 VanDerWaalsContact C-N 3.32Å; I271-R273 PolarHBondContact O-N 3.43Å; I271-R274 WeakPolarHBondContact O-CA 3.41Å; I271-R274 WeakPolarHBondContact O-CB 3.09Å; I271-R274 PolarHBondContact O-N 2.93Å; I271-L275 HydrophobicContact CG2-CD1 3.87Å; I271-L275 HydrophobicContact CG2-CG 4.21Å; I271-L275 WeakPolarHBondContact O-CG 3.36Å; I271-L275 PolarHBondContact O-N 2.88Å |
| 272 | E | 95.6 | Very high | 93.7 | Very high | 45 Ų | 45 | 67.4 Ų | 67.4 | 21% | 0.21 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -55.6 | -46.8 | 179.1 | -177.2 | -179.1 | -117.9 | 0 | 0 | 111.5 | S214 V215 I248 C268 R274 L275 A276 | S214-E272 VanDerWaalsContact CA-OE1 3.26Å; S214-E272 WeakPolarHBondContact CA-OE1 3.38Å; V215-E272 HydrophobicContact CG2-CB 3.96Å; V215-E272 HydrophobicContact CG2-CG 4.34Å; V215-E272 PolarHBondContact N-OE1 3.5Å; I248-E272 HydrophobicContact CD1-CB 4.18Å; C268-E272 PolarHBondContact O-N 3.07Å; E272-R274 VanDerWaalsContact C-N 3.33Å; E272-R274 PolarHBondContact O-N 3.26Å; E272-L275 PolarHBondContact O-N 3.1Å; E272-A276 WeakPolarHBondContact O-CB 3.43Å; E272-A276 PolarHBondContact O-N 3.19Å |
| 273 | R | 95.3 | Very high | 92.7 | Very high | 130 Ų | 130 | 71.1 Ų | 71.1 | 49% | 0.491 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 175.7 | -71.3 | 175.4 | -175.5 | 176.8 | 3.4 | 112.6 | I269 H270 I271 R277 | I269-R273 WeakPolarHBondContact O-CG 3.16Å; I269-R273 PolarHBondContact O-N 2.83Å; H270-R273 PolarHBondContact O-N 2.97Å; I271-R273 VanDerWaalsContact C-N 3.32Å; I271-R273 PolarHBondContact O-N 3.43Å; R273-R277 WeakPolarHBondContact O-CG 3.44Å; R273-R277 PolarHBondContact O-N 3.38Å; R273-R277 VanDerWaalsContact O-N 3.14Å; R273-R277 PolarHBondContact O-NE 3.38Å |
| 274 | R | 94.7 | Very high | 91.3 | Very high | 113 Ų | 113 | 75.1 Ų | 75.1 | 43% | 0.426 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.6 | -47.6 | 176.3 | -178.8 | 175 | 69.4 | -162.4 | 0.3 | 110.9 | E251 H270 I271 E272 R277 A278 | E251-R274 IonicContact OE2-CZ 2.9Å; E251-R274 IonicContact OE2-NH2 3.2Å; E251-R274 PolarHBondContact OE2-NH2 3.5Å; H270-R274 WeakPolarHBondContact O-CB 3.45Å; H270-R274 PolarHBondContact O-N 2.92Å; I271-R274 WeakPolarHBondContact O-CA 3.41Å; I271-R274 WeakPolarHBondContact O-CB 3.09Å; I271-R274 PolarHBondContact O-N 2.93Å; E272-R274 VanDerWaalsContact C-N 3.33Å; E272-R274 PolarHBondContact O-N 3.26Å; R274-R277 PolarHBondContact O-N 3.32Å; R274-A278 PolarHBondContact O-N 3.35Å |
| 275 | L | 92.4 | Very high | 89.9 | Confident | 51 Ų | 51 | 86.3 Ų | 86.3 | 27% | 0.267 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 178.1 | -67.6 | 177.6 | 0 | 0 | 0 | 111.7 | I248 E251 I271 E272 R277 A278 A279 | I248-L275 HydrophobicContact CD1-CD1 3.99Å; E251-L275 HydrophobicContact CG-CD1 4.37Å; E251-L275 HydrophobicContact CG-CD2 4.32Å; I271-L275 HydrophobicContact CG2-CD1 3.87Å; I271-L275 HydrophobicContact CG2-CG 4.21Å; I271-L275 WeakPolarHBondContact O-CG 3.36Å; I271-L275 PolarHBondContact O-N 2.88Å; E272-L275 PolarHBondContact O-N 3.1Å; L275-R277 VanDerWaalsContact C-N 3.34Å; L275-R277 PolarHBondContact O-N 2.9Å; L275-A278 PolarHBondContact O-N 3.24Å; L275-A279 WeakPolarHBondContact O-CB 3.42Å; L275-A279 PolarHBondContact O-N 2.83Å |
| 276 | A | 92.4 | Very high | 88.4 | Confident | 59 Ų | 59 | 90.4 Ų | 90.4 | 49% | 0.488 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E272 A279 A280 | E272-A276 WeakPolarHBondContact O-CB 3.43Å; E272-A276 PolarHBondContact O-N 3.19Å; A276-A279 PolarHBondContact O-N 3.17Å; A276-A280 WeakPolarHBondContact O-CB 3.39Å; A276-A280 PolarHBondContact O-N 2.74Å |
| 277 | R | 92.1 | Very high | 87 | Confident | 164 Ų | 164 | 94.5 Ų | 94.5 | 62% | 0.619 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.5 | -43.6 | 175.1 | -77.3 | -178.2 | -73.9 | -129 | 2.3 | 112.4 | R273 R274 L275 A280 A281 | R273-R277 WeakPolarHBondContact O-CG 3.44Å; R273-R277 PolarHBondContact O-N 3.38Å; R273-R277 VanDerWaalsContact O-N 3.14Å; R273-R277 PolarHBondContact O-NE 3.38Å; R274-R277 PolarHBondContact O-N 3.32Å; L275-R277 VanDerWaalsContact C-N 3.34Å; L275-R277 PolarHBondContact O-N 2.9Å; R277-A280 PolarHBondContact O-N 3.47Å; R277-A281 PolarHBondContact O-N 2.97Å |
| 278 | A | 90.9 | Very high | 85.2 | Confident | 47 Ų | 47 | 97.7 Ų | 97.7 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R274 L275 A281 R282 | R274-A278 PolarHBondContact O-N 3.35Å; L275-A278 PolarHBondContact O-N 3.24Å; A278-A281 PolarHBondContact O-N 2.95Å; A278-R282 WeakPolarHBondContact O-CG 3.47Å; A278-R282 PolarHBondContact O-N 3.19Å; A278-R282 VanDerWaalsContact O-N 3.14Å |
| 279 | A | 90.1 | Very high | 83.4 | Confident | 58 Ų | 58 | 109.2 Ų | 109.2 | 48% | 0.479 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.9 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L275 A276 A281 R282 K283 | L275-A279 WeakPolarHBondContact O-CB 3.42Å; L275-A279 PolarHBondContact O-N 2.83Å; A276-A279 PolarHBondContact O-N 3.17Å; A279-A281 VanDerWaalsContact C-N 3.34Å; A279-A281 PolarHBondContact O-N 3.3Å; A279-R282 PolarHBondContact O-N 2.84Å; A279-K283 PolarHBondContact O-N 2.79Å |
| 280 | A | 90.4 | Very high | 81.4 | Confident | 66 Ų | 66 | 111.5 Ų | 111.5 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.8 | -36.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A276 R277 R282 K283 | A276-A280 WeakPolarHBondContact O-CB 3.39Å; A276-A280 PolarHBondContact O-N 2.74Å; R277-A280 PolarHBondContact O-N 3.47Å; A280-R282 VanDerWaalsContact C-N 3.32Å; A280-R282 PolarHBondContact O-N 3.3Å; A280-K283 PolarHBondContact O-N 2.91Å |
| 281 | A | 88.4 | Confident | 79.5 | Confident | 87 Ų | 87 | 113.7 Ų | 113.7 | 72% | 0.719 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.4 | -27.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R277 A278 A279 | R277-A281 PolarHBondContact O-N 2.97Å; A278-A281 PolarHBondContact O-N 2.95Å; A279-A281 VanDerWaalsContact C-N 3.34Å; A279-A281 PolarHBondContact O-N 3.3Å |
| 282 | R | 83.9 | Confident | 77.3 | Confident | 216 Ų | 216 | 119.7 Ų | 119.7 | 82% | 0.815 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -78.7 | -16.4 | 176.6 | -73.9 | 179.5 | 175.1 | 174.1 | 0.3 | 113.8 | A278 A279 A280 | A278-R282 WeakPolarHBondContact O-CG 3.47Å; A278-R282 PolarHBondContact O-N 3.19Å; A278-R282 VanDerWaalsContact O-N 3.14Å; A279-R282 PolarHBondContact O-N 2.84Å; A280-R282 VanDerWaalsContact C-N 3.32Å; A280-R282 PolarHBondContact O-N 3.3Å |
| 283 | K | 75.1 | Confident | 75.1 | Confident | 161 Ų | 161 | 124.5 Ų | 124.5 | 70% | 0.7 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -66.1 | 124 | 171.8 | -76.8 | -177.3 | 178.3 | 179.6 | 0 | 108.2 | A279 A280 R285 | A279-K283 PolarHBondContact O-N 2.79Å; A280-K283 PolarHBondContact O-N 2.91Å; K283-R285 PolarHBondContact O-N 3.4Å |
| 284 | P | 65.9 | Low | 72.6 | Confident | 124 Ų | 124 | 124.1 Ų | 124.1 | 81% | 0.805 | 67% | 0.674 | S | S | * | * | trans | -59.6 | 114.1 | 177.6 | 22.6 | -30.1 | 0 | 0 | 0 | 107.9 | S286 | P284-S286 PolarHBondContact O-N 3.47Š| ||
| 285 | R | 67.6 | Low | 70.2 | Confident | 241 Ų | 241 | 126.9 Ų | 126.9 | 91% | 0.909 | 69% | 0.692 | S | S | * | * | trans | -53.5 | 114 | 162.4 | -98.8 | 176.8 | 153.9 | 121.3 | -6 | 105.4 | K283 | K283-R285 PolarHBondContact O-N 3.4Š| ||
| 286 | S | 65.6 | Low | 68.2 | Low | 102 Ų | 102 | 132.1 Ų | 132.1 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 129.2 | 163.4 | 46.9 | 0 | 0 | 0 | 0 | 106.8 | P284 | P284-S286 PolarHBondContact O-N 3.47Š|
| 287 | P | 65.9 | Low | 65.5 | Low | 112 Ų | 112 | 133.3 Ų | 133.3 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 139.4 | -175.5 | 21 | -30.8 | 0 | 0 | 0 | 108.4 | R289 | P287-R289 PolarHBondContact O-N 3.21Š|
| 288 | P | 58.1 | Low | 63.1 | Low | 121 Ų | 121 | 130.2 Ų | 130.2 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 120.7 | 174.7 | 24.6 | -30.2 | 0 | 0 | 0 | 105.7 | A290 | P288-A290 VanDerWaalsContact C-N 3.26Å; P288-A290 PolarHBondContact O-N 3.41Å |
| 289 | R | 59.4 | Low | 60.7 | Low | 241 Ų | 241 | 135.6 Ų | 135.6 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | trans | -58.2 | 101.8 | 172.8 | -154.9 | 176.8 | -170.2 | 175.9 | 2 | 104.2 | P287 L291 | P287-R289 PolarHBondContact O-N 3.21Å; R289-L291 PolarHBondContact O-N 3.47Å; R289-L291 VanDerWaalsContact O-N 3.17Å | ||
| 290 | A | 54.7 | Low | 58.1 | Low | 78 Ų | 78 | 140.8 Ų | 140.8 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | trans | -49.1 | 128.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | P288 V292 | P288-A290 VanDerWaalsContact C-N 3.26Å; P288-A290 PolarHBondContact O-N 3.41Å; A290-V292 PolarHBondContact O-N 2.98Å | ||
| 291 | L | 54.9 | Low | 55.7 | Low | 167 Ų | 167 | 146 Ų | 146 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -61.6 | 89.5 | 172 | -67.4 | 170.9 | 0 | 0 | 0 | 106.4 | R289 L293 | R289-L291 PolarHBondContact O-N 3.47Å; R289-L291 VanDerWaalsContact O-N 3.17Å; L291-L293 VanDerWaalsContact C-N 3.32Å; L291-L293 PolarHBondContact O-N 2.95Å | ||
| 292 | V | 50.8 | Low | 53 | Low | 131 Ų | 131 | 148.5 Ų | 148.5 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -67 | 103 | 166.5 | 177.3 | 0 | 0 | 0 | 0 | 104.6 | A290 | A290-V292 PolarHBondContact O-N 2.98Š| ||
| 293 | L | 48.9 | Very low | 51 | Low | 145 Ų | 145 | 144.4 Ų | 144.4 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -46.9 | 127.7 | 164 | -117.5 | 68.5 | 0 | 0 | 0 | 107.9 | L291 H295 | L291-L293 VanDerWaalsContact C-N 3.32Å; L291-L293 PolarHBondContact O-N 2.95Å; L293-H295 VanDerWaalsContact C-N 3.33Å; L293-H295 PolarHBondContact O-N 2.95Å | ||
| 294 | P | 43 | Very low | 49.2 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | trans | -71.1 | 97.3 | 170.5 | 17.5 | -10.3 | 0 | 0 | 0 | 107.3 | I296 | P294-I296 PolarHBondContact O-N 3.27Š| ||
| 295 | H | 43.6 | Very low | 48.2 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -71.7 | 113.6 | 165.3 | -162.8 | 39.6 | 0 | 0 | 0 | 107.4 | L293 A297 | L293-H295 VanDerWaalsContact C-N 3.33Å; L293-H295 PolarHBondContact O-N 2.95Å; H295-A297 PolarHBondContact O-N 3.28Å | ||
| 296 | I | 50.8 | Low | 46.7 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 82% | 0.821 | 77% | 0.769 | S | S | * | * | trans | -63.6 | 104 | 168.5 | -60.9 | 170.7 | 0 | 0 | 0 | 106.7 | P294 | P294-I296 PolarHBondContact O-N 3.27Š| ||
| 297 | A | 36.3 | Very low | 45.5 | Very low | 84 Ų | 84 | 139 Ų | 139 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | trans | -133.2 | 99.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108 | H295 | H295-A297 PolarHBondContact O-N 3.28Š| ||
| 298 | S | 41.1 | Very low | 44.1 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | -76.6 | 145.9 | 164.2 | -162.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 299 | H | 39.8 | Very low | 43.1 | Very low | 159 Ų | 159 | 137.9 Ų | 137.9 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | 68.9 | 103.7 | 169.8 | -81.7 | -93.1 | 0 | 0 | 0 | 118.7 | ||||
| 300 | H | 35.4 | Very low | 42.4 | Very low | 168 Ų | 168 | 130.8 Ų | 130.8 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | 176.8 | 152.8 | 88.7 | -115.5 | -77.9 | 0 | 0 | 0 | 111.2 | |||||
| 301 | Q | 40.2 | Very low | 41.6 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -56.8 | 140.9 | -177.3 | -58.3 | -176.8 | -10.6 | 0 | 0 | 114.8 | ||||
| 302 | V | 32.6 | Very low | 41.3 | Very low | 139 Ų | 139 | 135 Ų | 135 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | -152.6 | 122 | 133.4 | -118.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 303 | D | 41.4 | Very low | 41.3 | Very low | 130 Ų | 130 | 137 Ų | 137 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -53.6 | 138.4 | 161 | -151.4 | -43.6 | 0 | 0 | 0 | 110.2 | T305 | D303-T305 PolarHBondContact OD1-N 2.84Å; D303-T305 PolarHBondContact OD1-OG1 2.7Å; D303-T305 VanDerWaalsContact OD1-OG1 3.13Å | ||
| 304 | P | 38.3 | Very low | 41.8 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -129.6 | 84.5 | 145.2 | 17.3 | 4.1 | 0 | 0 | 0 | 110.4 | E306 | P304-E306 PolarHBondContact O-N 2.93Š| ||
| 305 | T | 43.3 | Very low | 43.3 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | trans | -56.6 | 102.8 | 138.2 | -60.4 | 0 | 0 | 0 | 0 | 108.3 | D303 | D303-T305 PolarHBondContact OD1-N 2.84Å; D303-T305 PolarHBondContact OD1-OG1 2.7Å; D303-T305 VanDerWaalsContact OD1-OG1 3.13Å | ||
| 306 | E | 37.1 | Very low | 44.9 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | trans | 155.6 | 129.6 | 136.3 | -81.5 | -148.5 | 137.5 | 0 | 0 | 111.6 | P304 | P304-E306 PolarHBondContact O-N 2.93Š| ||
| 307 | P | 39.1 | Very low | 46.1 | Very low | 113 Ų | 113 | 130.5 Ų | 130.5 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | -90.4 | 107.9 | 175 | 33.5 | -26.6 | 0 | 0 | 0 | 110.1 | G309 | P307-G309 PolarHBondContact O-N 3.47Š| ||
| 308 | V | 36.4 | Very low | 48.1 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 90% | 0.897 | 73% | 0.727 | S | S | * | * | trans | -70.3 | 119.2 | 161.1 | 175.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 309 | G | 38.5 | Very low | 50 | Low | 61 Ų | 61 | 130.3 Ų | 130.3 | 63% | 0.629 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 77.5 | 83.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | P307 A311 | P307-G309 PolarHBondContact O-N 3.47Å; G309-A311 PolarHBondContact O-N 2.96Å |
| 310 | G | 44.5 | Very low | 52 | Low | 93 Ų | 93 | 126.7 Ų | 126.7 | 96% | 0.959 | 69% | 0.686 | S | S | * | * | trans | 57.3 | -4.6 | 130.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 311 | A | 37.2 | Very low | 54.2 | Low | 88 Ų | 88 | 123.4 Ų | 123.4 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | trans | -96.9 | 117.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110 | G309 M313 | G309-A311 PolarHBondContact O-N 2.96Å; A311-M313 PolarHBondContact O-N 3.21Å | ||
| 312 | R | 48.3 | Very low | 56.5 | Low | 245 Ų | 245 | 120.3 Ų | 120.3 | 93% | 0.925 | 65% | 0.652 | S | S | * | * | trans | -59.6 | 100.4 | 172.7 | -68.4 | 176.8 | -175.7 | 162 | 0.9 | 109.1 | R314 | R312-R314 PolarHBondContact O-N 3.5Š| ||
| 313 | M | 50.5 | Low | 59.2 | Low | 174 Ų | 174 | 115.6 Ų | 115.6 | 86% | 0.857 | 62% | 0.619 | S | S | * | * | trans | -60.3 | 105 | 164.6 | -97.5 | 170.7 | 61.5 | 0 | 0 | 108.1 | A311 L315 | A311-M313 PolarHBondContact O-N 3.21Å; M313-L315 PolarHBondContact O-N 2.8Å | ||
| 314 | R | 61 | Low | 61.3 | Low | 242 Ų | 242 | 116.4 Ų | 116.4 | 91% | 0.913 | 61% | 0.613 | S | S | * | * | trans | -65.6 | 104.5 | 166.3 | -93.9 | -175 | 150.1 | -155.1 | -3.6 | 106.9 | R312 T316 | R312-R314 PolarHBondContact O-N 3.5Å; R314-T316 PolarHBondContact O-N 2.75Å | ||
| 315 | L | 73.5 | Confident | 63.6 | Low | 41 Ų | 41 | 119.3 Ų | 119.3 | 22% | 0.215 | 61% | 0.613 | C | S | . | * | trans | -53.5 | 133.1 | 170.4 | -69.9 | 133.8 | 0 | 0 | 0 | 109.2 | M313 E319 K320 R323 L330 | M313-L315 PolarHBondContact O-N 2.8Å; L315-E319 HydrophobicContact CD2-CB 4.21Å; L315-E319 HydrophobicContact CD2-CG 3.41Å; L315-E319 VanDerWaalsContact CD2-CG 3.41Å; L315-K320 HydrophobicContact CB-CG 3.84Å; L315-K320 WeakPolarHBondContact O-CE 3.2Å; L315-R323 VanDerWaalsContact CD2-CZ 3.42Å; L315-L330 WeakPolarHBondContact CD1-O 3.33Å | ||
| 316 | T | 78.1 | Confident | 65.5 | Low | 82 Ų | 82 | 118.2 Ų | 118.2 | 50% | 0.503 | 60% | 0.602 | S | S | . | * | trans | -61.3 | 160.2 | 171.5 | 62.3 | 0 | 0 | 0 | 0 | 110 | R314 E318 E319 K320 | R314-T316 PolarHBondContact O-N 2.75Å; T316-E318 WeakPolarHBondContact CB-OE2 3.45Å; T316-E318 PolarHBondContact O-N 3.02Å; T316-E318 PolarHBondContact OG1-OE2 3.38Å; T316-E319 PolarHBondContact O-N 3.47Å; T316-E319 PolarHBondContact OG1-N 2.91Å; T316-K320 WeakPolarHBondContact O-CG 3.3Å; T316-K320 PolarHBondContact O-N 3Å | ||
| 317 | Q | 75.1 | Confident | 67.7 | Low | 96 Ų | 96 | 115.3 Ų | 115.3 | 45% | 0.449 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.9 | -37 | -178.7 | -176.2 | 61.5 | 17.8 | 0 | 0 | 111 | K320 E321 | Q317-K320 PolarHBondContact O-N 3.45Å; Q317-E321 PolarHBondContact NE2-OE1 3.45Å; Q317-E321 PolarHBondContact O-N 3.23Å |
| 318 | E | 78.3 | Confident | 69.9 | Low | 134 Ų | 134 | 111.8 Ų | 111.8 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.1 | -42.7 | 178.5 | -59 | 73.3 | -157.8 | 0 | 0 | 111.3 | T316 E321 R322 | T316-E318 WeakPolarHBondContact CB-OE2 3.45Å; T316-E318 PolarHBondContact O-N 3.02Å; T316-E318 PolarHBondContact OG1-OE2 3.38Å; E318-E321 PolarHBondContact O-N 3.47Å; E318-R322 WeakPolarHBondContact O-CB 3.01Å; E318-R322 PolarHBondContact O-N 3.17Å |
| 319 | E | 81.1 | Confident | 72.3 | Confident | 47 Ų | 47 | 104.8 Ų | 104.8 | 22% | 0.22 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -72.3 | -31.9 | 178.1 | -178.3 | 58.1 | -165.7 | 0 | 0 | 111.7 | L315 T316 R322 R323 | L315-E319 HydrophobicContact CD2-CB 4.21Å; L315-E319 HydrophobicContact CD2-CG 3.41Å; L315-E319 VanDerWaalsContact CD2-CG 3.41Å; T316-E319 PolarHBondContact O-N 3.47Å; T316-E319 PolarHBondContact OG1-N 2.91Å; E319-R322 IonicContact OE1-CZ 3.7Å; E319-R322 IonicContact OE1-NE 2.84Å; E319-R322 IonicContact OE1-NH2 3.68Å; E319-R322 PolarHBondContact OE1-NH2 2.97Å; E319-R322 IonicContact OE2-CZ 2.78Å; E319-R322 IonicContact OE2-NE 2.96Å; E319-R322 PolarHBondContact OE2-NE 2.93Å; E319-R322 IonicContact OE2-NH2 3.71Å; E319-R323 WeakPolarHBondContact O-CB 3.4Å; E319-R323 VanDerWaalsContact O-CG 3.28Å; E319-R323 WeakPolarHBondContact O-CG 3.28Å; E319-R323 PolarHBondContact O-N 2.77Å; E319-R323 IonicContact OE1-CZ 3.96Å; E319-R323 IonicContact OE1-NE 3.39Å; E319-R323 PolarHBondContact OE1-NE 2.94Å; E319-R323 IonicContact OE1-NH2 3.54Å; E319-R323 PolarHBondContact OE1-NH2 2.71Å |
| 320 | K | 81.6 | Confident | 74.4 | Confident | 83 Ų | 83 | 105.3 Ų | 105.3 | 36% | 0.361 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 171.4 | -73.2 | 178.2 | -176.7 | 173.5 | 0 | 112.1 | L315 T316 Q317 R324 L330 | L315-K320 HydrophobicContact CB-CG 3.84Å; L315-K320 WeakPolarHBondContact O-CE 3.2Å; T316-K320 WeakPolarHBondContact O-CG 3.3Å; T316-K320 PolarHBondContact O-N 3Å; Q317-K320 PolarHBondContact O-N 3.45Å; K320-R324 WeakPolarHBondContact O-CB 3.46Å; K320-R324 WeakPolarHBondContact O-CG 3.4Å; K320-R324 PolarHBondContact O-N 3.42Å; K320-L330 HydrophobicContact CB-CD2 4.39Å; K320-L330 HydrophobicContact CG-CD2 4.35Å |
| 321 | E | 83.2 | Confident | 76.1 | Confident | 99 Ų | 99 | 105.5 Ų | 105.5 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.4 | -42.9 | 177.5 | -78.4 | 171.1 | -164.1 | 0 | 0 | 111.8 | Q317 E318 R323 R324 K325 | Q317-E321 PolarHBondContact NE2-OE1 3.45Å; Q317-E321 PolarHBondContact O-N 3.23Å; E318-E321 PolarHBondContact O-N 3.47Å; E321-R323 VanDerWaalsContact C-N 3.35Å; E321-R323 PolarHBondContact O-N 2.89Å; E321-R324 VanDerWaalsContact CG-NH2 3.34Å; E321-R324 PolarHBondContact O-N 2.92Å; E321-R324 IonicContact OE1-NH2 3.56Å; E321-K325 WeakPolarHBondContact O-CB 3.04Å; E321-K325 PolarHBondContact O-N 3.14Å |
| 322 | R | 87.6 | Confident | 78.2 | Confident | 110 Ų | 110 | 103.6 Ų | 103.6 | 42% | 0.415 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 173.8 | -164.5 | -167.7 | 73.4 | 86.9 | 3.9 | 111.5 | E318 E319 K325 L326 | E318-R322 WeakPolarHBondContact O-CB 3.01Å; E318-R322 PolarHBondContact O-N 3.17Å; E319-R322 IonicContact OE1-CZ 3.7Å; E319-R322 IonicContact OE1-NE 2.84Å; E319-R322 IonicContact OE1-NH2 3.68Å; E319-R322 PolarHBondContact OE1-NH2 2.97Å; E319-R322 IonicContact OE2-CZ 2.78Å; E319-R322 IonicContact OE2-NE 2.96Å; E319-R322 PolarHBondContact OE2-NE 2.93Å; E319-R322 IonicContact OE2-NH2 3.71Å; R322-K325 PolarHBondContact O-N 3.06Å; R322-L326 HydrophobicContact CG-CD1 3.99Å; R322-L326 VanDerWaalsContact NH1-CD1 3.25Å; R322-L326 WeakPolarHBondContact O-CB 3.42Å; R322-L326 WeakPolarHBondContact O-CG 3.43Å; R322-L326 PolarHBondContact O-N 3.35Å |
| 323 | R | 89.3 | Confident | 79.9 | Confident | 40 Ų | 40 | 92.8 Ų | 92.8 | 15% | 0.151 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 178.2 | -72.4 | -176.1 | -173 | -155.6 | 2.7 | 112.7 | L315 E319 E321 L326 N327 L328 C329 L330 G333 | L315-R323 VanDerWaalsContact CD2-CZ 3.42Å; E319-R323 WeakPolarHBondContact O-CB 3.4Å; E319-R323 VanDerWaalsContact O-CG 3.28Å; E319-R323 WeakPolarHBondContact O-CG 3.28Å; E319-R323 PolarHBondContact O-N 2.77Å; E319-R323 IonicContact OE1-CZ 3.96Å; E319-R323 IonicContact OE1-NE 3.39Å; E319-R323 PolarHBondContact OE1-NE 2.94Å; E319-R323 IonicContact OE1-NH2 3.54Å; E319-R323 PolarHBondContact OE1-NH2 2.71Å; E321-R323 VanDerWaalsContact C-N 3.35Å; E321-R323 PolarHBondContact O-N 2.89Å; R323-L326 PolarHBondContact O-N 3.45Å; R323-N327 PolarHBondContact O-N 3.37Å; R323-N327 VanDerWaalsContact O-N 3.1Å; R323-L328 HydrophobicContact CB-CB 4.12Å; R323-L328 HydrophobicContact CG-CB 4.12Å; R323-L328 PolarHBondContact O-N 2.92Å; R323-C329 PolarHBondContact NH1-O 3.09Å; R323-L330 HydrophobicContact CB-CD2 3.95Å; R323-G333 VanDerWaalsContact NH1-CA 3.3Å |
| 324 | R | 84.6 | Confident | 81.3 | Confident | 147 Ų | 147 | 88 Ų | 88 | 56% | 0.555 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 172 | -78.8 | -172.3 | -72.5 | 174 | 0.3 | 112 | K320 E321 L326 N327 | K320-R324 WeakPolarHBondContact O-CB 3.46Å; K320-R324 WeakPolarHBondContact O-CG 3.4Å; K320-R324 PolarHBondContact O-N 3.42Å; E321-R324 VanDerWaalsContact CG-NH2 3.34Å; E321-R324 PolarHBondContact O-N 2.92Å; E321-R324 IonicContact OE1-NH2 3.56Å; R324-L326 VanDerWaalsContact C-N 3.3Å; R324-L326 PolarHBondContact O-N 3.44Å; R324-N327 PolarHBondContact O-N 2.98Å |
| 325 | K | 87.9 | Confident | 82.3 | Confident | 181 Ų | 181 | 78.5 Ų | 78.5 | 79% | 0.787 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65.2 | -33.9 | 179.9 | -170 | 175.3 | -177.6 | 178.8 | 0 | 112.7 | E321 R322 | E321-K325 WeakPolarHBondContact O-CB 3.04Å; E321-K325 PolarHBondContact O-N 3.14Å; R322-K325 PolarHBondContact O-N 3.06Å |
| 326 | L | 82.7 | Confident | 82.6 | Confident | 94 Ų | 94 | 80.6 Ų | 80.6 | 49% | 0.492 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 9.3 | -178.1 | -62.8 | 175.8 | 0 | 0 | 0 | 113.6 | R322 R323 R324 L328 | R322-L326 HydrophobicContact CG-CD1 3.99Å; R322-L326 VanDerWaalsContact NH1-CD1 3.25Å; R322-L326 WeakPolarHBondContact O-CB 3.42Å; R322-L326 WeakPolarHBondContact O-CG 3.43Å; R322-L326 PolarHBondContact O-N 3.35Å; R323-L326 PolarHBondContact O-N 3.45Å; R324-L326 VanDerWaalsContact C-N 3.3Å; R324-L326 PolarHBondContact O-N 3.44Å; L326-L328 HydrophobicContact CB-CD1 3.92Å; L326-L328 HydrophobicContact CB-CG 3.84Å; L326-L328 HydrophobicContact CD1-CD1 4.27Å; L326-L328 PolarHBondContact O-N 3.48Å |
| 327 | N | 83.9 | Confident | 83 | Confident | 104 Ų | 104 | 78.5 Ų | 78.5 | 56% | 0.556 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 42 | -177.1 | -67 | -56.7 | 0 | 0 | 0 | 113.5 | R323 R324 | R323-N327 PolarHBondContact O-N 3.37Å; R323-N327 VanDerWaalsContact O-N 3.1Å; R324-N327 PolarHBondContact O-N 2.98Å |
| 328 | L | 85.5 | Confident | 83.3 | Confident | 39 Ų | 39 | 81.9 Ų | 81.9 | 20% | 0.204 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -99 | 142.4 | 177.6 | -58.8 | 176.4 | 0 | 0 | 0 | 110.3 | R323 L326 L330 | R323-L328 HydrophobicContact CB-CB 4.12Å; R323-L328 HydrophobicContact CG-CB 4.12Å; R323-L328 PolarHBondContact O-N 2.92Å; L326-L328 HydrophobicContact CB-CD1 3.92Å; L326-L328 HydrophobicContact CB-CG 3.84Å; L326-L328 HydrophobicContact CD1-CD1 4.27Å; L326-L328 PolarHBondContact O-N 3.48Å; L328-L330 PolarHBondContact O-N 2.7Å |
| 329 | C | 85.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 39% | 0.392 | C | S | . | . | trans | -59 | 128 | 178.3 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | R323 Y331 G333 T334 H337 A339 | R323-C329 PolarHBondContact NH1-O 3.09Å; C329-Y331 PolarHBondContact O-N 3.06Å; C329-Y331 VanDerWaalsContact O-N 3.15Å; C329-Y331 PolarHBondContact SG-N 2.8Å; C329-Y331 VanDerWaalsContact SG-N 3.35Å; C329-G333 WeakPolarHBondContact O-CA 3.3Å; C329-G333 PolarHBondContact O-N 2.98Å; C329-T334 WeakPolarHBondContact CB-O 3.5Å; C329-T334 PolarHBondContact N-O 3.35Å; C329-H337 WeakPolarHBondContact CB-NE2 3.47Å; C329-H337 WeakPolarHBondContact CB-O 3.42Å; C329-H337 VanDerWaalsContact SG-CD2 3.59Å; C329-H337 PolarHBondContact SG-NE2 3.32Å; C329-H337 VanDerWaalsContact SG-NE2 3.4Å; C329-A339 VanDerWaalsContact SG-CA 3.58Å | ||
| 330 | L | 83.1 | Confident | 83.3 | Confident | 73 Ų | 73 | 80.5 Ų | 80.5 | 38% | 0.382 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -11.2 | 177.8 | -66.8 | 171.8 | 0 | 0 | 0 | 113.3 | L315 K320 R323 L328 A339 | L315-L330 WeakPolarHBondContact CD1-O 3.33Å; K320-L330 HydrophobicContact CB-CD2 4.39Å; K320-L330 HydrophobicContact CG-CD2 4.35Å; R323-L330 HydrophobicContact CB-CD2 3.95Å; L328-L330 PolarHBondContact O-N 2.7Å; L330-A339 HydrophobicContact CB-CB 4.08Å |
| 331 | Y | 80.2 | Confident | 83.1 | Confident | 97 Ų | 97 | 83 Ų | 83 | 38% | 0.38 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -62.2 | 176.3 | -173.1 | -97.1 | 0 | 0 | 0 | 111.7 | C329 C342 A344 K345 K348 | C329-Y331 PolarHBondContact O-N 3.06Å; C329-Y331 VanDerWaalsContact O-N 3.15Å; C329-Y331 PolarHBondContact SG-N 2.8Å; C329-Y331 VanDerWaalsContact SG-N 3.35Å; Y331-C342 HydrophobicContact CD1-CB 4.33Å; Y331-C342 VanDerWaalsContact CD1-SG 3.59Å; Y331-A344 HydrophobicContact CD1-CB 4.13Å; Y331-A344 HydrophobicContact CE1-CB 3.9Å; Y331-K345 HydrophobicContact CD1-CG 4.05Å; Y331-K345 HydrophobicContact CD2-CG 4.01Å; Y331-K345 HydrophobicContact CE1-CG 3.95Å; Y331-K345 HydrophobicContact CE2-CG 3.9Å; Y331-K345 HydrophobicContact CG-CG 4.08Å; Y331-K348 PolarHBondContact OH-NZ 2.98Å |
| 332 | C | 82.7 | Confident | 83 | Confident | 47 Ų | 47 | 78.5 Ų | 78.5 | 32% | 0.318 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -9.6 | -174.2 | 61.5 | 0 | 0 | 0 | 0 | 114.9 | T334 H337 C342 A344 | C332-T334 VanDerWaalsContact C-N 3.29Å; C332-T334 PolarHBondContact O-N 3.41Å; C332-T334 PolarHBondContact SG-OG1 2.93Å; C332-H337 PolarHBondContact SG-NE2 3.26Å; C332-C342 PolarHBondContact SG-SG 3.41Å; C332-A344 HydrophobicContact CB-CB 4.19Å |
| 333 | G | 82.3 | Confident | 82.5 | Confident | 18 Ų | 18 | 77.2 Ų | 77.2 | 19% | 0.186 | 42% | 0.418 | C | S | . | . | trans | 78.3 | 4.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R323 C329 | R323-G333 VanDerWaalsContact NH1-CA 3.3Å; C329-G333 WeakPolarHBondContact O-CA 3.3Å; C329-G333 PolarHBondContact O-N 2.98Å | ||
| 334 | T | 80.9 | Confident | 81.7 | Confident | 75 Ų | 75 | 77 Ų | 77 | 46% | 0.46 | 42% | 0.424 | S | S | . | . | trans | -93.9 | 151.9 | 176.5 | 57.5 | 0 | 0 | 0 | 0 | 111.8 | C329 C332 H337 | C329-T334 WeakPolarHBondContact CB-O 3.5Å; C329-T334 PolarHBondContact N-O 3.35Å; C332-T334 VanDerWaalsContact C-N 3.29Å; C332-T334 PolarHBondContact O-N 3.41Å; C332-T334 PolarHBondContact SG-OG1 2.93Å; T334-H337 PolarHBondContact OG1-CE1 3.48Å | ||
| 335 | G | 81.7 | Confident | 80.9 | Confident | 42 Ų | 42 | 74.1 Ų | 74.1 | 43% | 0.433 | 42% | 0.416 | S | S | . | . | B | Isolated β-bridge | trans | -79.7 | 169.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 336 | G | 79.8 | Confident | 79.6 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 87% | 0.866 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 90.2 | -1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 337 | H | 85.6 | Confident | 78.4 | Confident | 38 Ų | 38 | 68.2 Ų | 68.2 | 18% | 0.176 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -157.7 | 160.8 | 173.7 | 63 | -86.7 | 0 | 0 | 0 | 112.1 | C329 C332 T334 C342 | C329-H337 WeakPolarHBondContact CB-NE2 3.47Å; C329-H337 WeakPolarHBondContact CB-O 3.42Å; C329-H337 VanDerWaalsContact SG-CD2 3.59Å; C329-H337 PolarHBondContact SG-NE2 3.32Å; C329-H337 VanDerWaalsContact SG-NE2 3.4Å; C332-H337 PolarHBondContact SG-NE2 3.26Å; T334-H337 PolarHBondContact OG1-CE1 3.48Å; H337-C342 VanDerWaalsContact CD2-CA 3.44Å; H337-C342 WeakPolarHBondContact CD2-CA 3.28Å; H337-C342 PolarHBondContact NE2-SG 3.1Å; H337-C342 VanDerWaalsContact NE2-SG 3.36Å |
| 338 | Y | 82.6 | Confident | 77 | Confident | 167 Ų | 167 | 70.4 Ų | 70.4 | 66% | 0.655 | 41% | 0.413 | S | S | * | . | trans | -94.7 | 163.5 | 173 | -65.9 | -79.4 | 0 | 0 | 0 | 111.6 | D340 N341 C342 | Y338-D340 PolarHBondContact O-N 3.02Å; Y338-N341 CarbonylContact O-C 3.57Å; Y338-N341 PolarHBondContact O-N 3.48Å; Y338-C342 PolarHBondContact O-N 2.98Å | ||
| 339 | A | 80.9 | Confident | 75.1 | Confident | 20 Ų | 20 | 72.5 Ų | 72.5 | 17% | 0.165 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -57.8 | -20.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | C329 L330 K345 | C329-A339 VanDerWaalsContact SG-CA 3.58Å; L330-A339 HydrophobicContact CB-CB 4.08Å; A339-K345 VanDerWaalsContact O-CD 3.29Å; A339-K345 WeakPolarHBondContact O-CD 3.32Å; A339-K345 VanDerWaalsContact O-CE 3.22Å; A339-K345 WeakPolarHBondContact O-CE 3.47Å; A339-K345 PolarHBondContact O-NZ 3.47Å |
| 340 | D | 77.7 | Confident | 72.6 | Confident | 133 Ų | 133 | 77.5 Ų | 77.5 | 71% | 0.711 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -79.2 | -33.1 | 177.6 | -57.9 | -36.8 | 0 | 0 | 0 | 112.2 | Y338 K345 | Y338-D340 PolarHBondContact O-N 3.02Å; D340-K345 IonicContact OD1-NZ 3.54Å |
| 341 | N | 77.4 | Confident | 70.6 | Confident | 136 Ų | 136 | 79.8 Ų | 79.8 | 73% | 0.727 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -102.9 | 27.9 | 176.6 | -69 | -5.3 | 0 | 0 | 0 | 111.9 | Y338 P343 | Y338-N341 CarbonylContact O-C 3.57Å; Y338-N341 PolarHBondContact O-N 3.48Å; N341-P343 WeakPolarHBondContact O-CD 3.43Å |
| 342 | C | 82.1 | Confident | 68.5 | Low | 3 Ų | 3 | 80.1 Ų | 80.1 | 2% | 0.02 | 51% | 0.508 | C | S | . | . | trans | -75.4 | 119.7 | -177.2 | -174.3 | 0 | 0 | 0 | 0 | 111.2 | Y331 C332 H337 Y338 A344 K345 A346 | Y331-C342 HydrophobicContact CD1-CB 4.33Å; Y331-C342 VanDerWaalsContact CD1-SG 3.59Å; C332-C342 PolarHBondContact SG-SG 3.41Å; H337-C342 VanDerWaalsContact CD2-CA 3.44Å; H337-C342 WeakPolarHBondContact CD2-CA 3.28Å; H337-C342 PolarHBondContact NE2-SG 3.1Å; H337-C342 VanDerWaalsContact NE2-SG 3.36Å; Y338-C342 PolarHBondContact O-N 2.98Å; C342-A344 PolarHBondContact O-N 3.18Å; C342-K345 HydrophobicContact CB-CB 4.44Å; C342-K345 HydrophobicContact CB-CG 4.45Å; C342-K345 WeakPolarHBondContact O-CB 3.43Å; C342-K345 PolarHBondContact O-N 2.89Å; C342-A346 PolarHBondContact O-N 3.22Å | ||
| 343 | P | 77.5 | Confident | 66.4 | Low | 84 Ų | 84 | 81 Ų | 81 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62 | -26.6 | 178.5 | 22.8 | -30.9 | 0 | 0 | 0 | 112.4 | N341 K345 A346 S347 | N341-P343 WeakPolarHBondContact O-CD 3.43Å; P343-K345 VanDerWaalsContact C-N 3.26Å; P343-K345 PolarHBondContact O-N 3.38Å; P343-A346 PolarHBondContact O-N 3.14Å; P343-S347 PolarHBondContact O-N 3.31Å; P343-S347 PolarHBondContact O-OG 2.98Å |
| 344 | A | 72.4 | Confident | 63.9 | Low | 35 Ų | 35 | 88.2 Ų | 88.2 | 29% | 0.289 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72.2 | -14 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y331 C332 C342 | Y331-A344 HydrophobicContact CD1-CB 4.13Å; Y331-A344 HydrophobicContact CE1-CB 3.9Å; C332-A344 HydrophobicContact CB-CB 4.19Å; C342-A344 PolarHBondContact O-N 3.18Å |
| 345 | K | 67.5 | Low | 61.7 | Low | 86 Ų | 86 | 90.1 Ų | 90.1 | 37% | 0.374 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -82.1 | -42.1 | 166.4 | -87.7 | -174.1 | -179.4 | 171.7 | 0 | 111.1 | Y331 A339 D340 C342 P343 S347 K348 | Y331-K345 HydrophobicContact CD1-CG 4.05Å; Y331-K345 HydrophobicContact CD2-CG 4.01Å; Y331-K345 HydrophobicContact CE1-CG 3.95Å; Y331-K345 HydrophobicContact CE2-CG 3.9Å; Y331-K345 HydrophobicContact CG-CG 4.08Å; A339-K345 VanDerWaalsContact O-CD 3.29Å; A339-K345 WeakPolarHBondContact O-CD 3.32Å; A339-K345 VanDerWaalsContact O-CE 3.22Å; A339-K345 WeakPolarHBondContact O-CE 3.47Å; A339-K345 PolarHBondContact O-NZ 3.47Å; D340-K345 IonicContact OD1-NZ 3.54Å; C342-K345 HydrophobicContact CB-CB 4.44Å; C342-K345 HydrophobicContact CB-CG 4.45Å; C342-K345 WeakPolarHBondContact O-CB 3.43Å; C342-K345 PolarHBondContact O-N 2.89Å; P343-K345 VanDerWaalsContact C-N 3.26Å; P343-K345 PolarHBondContact O-N 3.38Å; K345-S347 VanDerWaalsContact C-N 3.35Å; K345-S347 PolarHBondContact O-N 3.45Å; K345-K348 PolarHBondContact O-N 3.41Å |
| 346 | A | 60.4 | Low | 60.2 | Low | 60 Ų | 60 | 93.9 Ų | 93.9 | 50% | 0.496 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67 | -33.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C342 P343 K348 S349 | C342-A346 PolarHBondContact O-N 3.22Å; P343-A346 PolarHBondContact O-N 3.14Å; A346-K348 PolarHBondContact O-N 3.44Å; A346-S349 PolarHBondContact O-N 2.91Å; A346-S349 PolarHBondContact O-OG 3.31Å |
| 347 | S | 56.8 | Low | 57.7 | Low | 91 Ų | 91 | 94.1 Ų | 94.1 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -13.3 | 178 | 63.2 | 0 | 0 | 0 | 0 | 114.8 | P343 K345 | P343-S347 PolarHBondContact O-N 3.31Å; P343-S347 PolarHBondContact O-OG 2.98Å; K345-S347 VanDerWaalsContact C-N 3.35Å; K345-S347 PolarHBondContact O-N 3.45Å |
| 348 | K | 54.3 | Low | 55.9 | Low | 150 Ų | 150 | 97.7 Ų | 97.7 | 65% | 0.652 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -4.6 | 174.6 | -72.5 | 179.4 | 179.9 | 173.8 | 0 | 113.4 | Y331 K345 A346 | Y331-K348 PolarHBondContact OH-NZ 2.98Å; K345-K348 PolarHBondContact O-N 3.41Å; A346-K348 PolarHBondContact O-N 3.44Å |
| 349 | S | 46.9 | Very low | 53.6 | Low | 83 Ų | 83 | 101.5 Ų | 101.5 | 58% | 0.58 | 64% | 0.643 | S | S | * | * | trans | -117.8 | 71 | 177.3 | 59.4 | 0 | 0 | 0 | 0 | 110.6 | A346 | A346-S349 PolarHBondContact O-N 2.91Å; A346-S349 PolarHBondContact O-OG 3.31Å | ||
| 350 | S | 32.4 | Very low | 52.3 | Low | 105 Ų | 105 | 105.6 Ų | 105.6 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | trans | -122.4 | 114.3 | 157.6 | -69.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 351 | P | 40.6 | Very low | 50.9 | Low | 121 Ų | 121 | 104.2 Ų | 104.2 | 79% | 0.786 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -80 | 142.6 | 153.4 | 15.7 | 0.3 | 0 | 0 | 0 | 109.1 | G353 | P351-G353 PolarHBondContact O-N 3.45Š|
| 352 | A | 35.9 | Very low | 49.5 | Very low | 104 Ų | 104 | 102.4 Ų | 102.4 | 86% | 0.86 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 135.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 353 | G | 37.7 | Very low | 47.5 | Very low | 65 Ų | 65 | 108.2 Ų | 108.2 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 157 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | P351 | P351-G353 PolarHBondContact O-N 3.45Š|
| 354 | N | 31.6 | Very low | 45.7 | Very low | 171 Ų | 171 | 109.8 Ų | 109.8 | 91% | 0.914 | 71% | 0.709 | S | S | * | * | -168.4 | 119.7 | 128.7 | -97.4 | -5.3 | 0 | 0 | 0 | 109.8 | |||||
| 355 | S | 34.7 | Very low | 43.9 | Very low | 115 Ų | 115 | 114.7 Ų | 114.7 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -69.5 | -179.5 | 156.7 | -39.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 356 | P | 50.4 | Low | 42.2 | Very low | 121 Ų | 121 | 116.8 Ų | 116.8 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | cis | -139.7 | -169.5 | -3.4 | 37.1 | -16.4 | 0 | 0 | 0 | 116.2 | ||||
| 357 | A | 27.1 | Very low | 40.8 | Very low | 88 Ų | 88 | 121.2 Ų | 121.2 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 99.5 | 159.5 | 147 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 358 | P | 46.8 | Very low | 39.4 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | -137.4 | 178.5 | -50.4 | 38.3 | -22.4 | 0 | 0 | 0 | 114.4 | |||||
| 359 | L | 35 | Very low | 38.1 | Very low | 247 Ų | 247 | 121.3 Ų | 121.3 | 100% | 1.293 | 81% | 0.809 | S | S | * | * | trans | 87.5 | 0 | 168.1 | -62.1 | 177.4 | 0 | 0 | 0 | 118 |
Retrieved 359 of 359 residues in 144.9 ms
(Link to these results)