| 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 | 48.5 | Very low | 47.5 | Very low | 162 Ų | 162 | 122.6 Ų | 122.6 | 80% | 0.798 | 61% | 0.612 | S | S | * | * | 0 | -40.6 | 0 | -76.7 | -178.7 | 163.3 | 0 | 0 | 113.1 | |||||
| 2 | T | 48 | Very low | 46.5 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 61% | 0.613 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -20.2 | -173.2 | 43.1 | 0 | 0 | 0 | 0 | 116.6 | ||
| 3 | R | 50.9 | Low | 45.2 | Very low | 215 Ų | 215 | 133.4 Ų | 133.4 | 81% | 0.811 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -47.2 | -177.4 | -98.5 | -179.6 | 170.8 | 146.2 | -2.3 | 112.7 | C5 S6 | R3-C5 PolarHBondContact O-N 2.89Å; R3-S6 PolarHBondContact O-N 3.4Å |
| 4 | D | 57.3 | Low | 43.9 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 41% | 0.406 | 66% | 0.661 | S | S | . | * | G | 310 helix | trans | -67.4 | -38.7 | -172 | -59.3 | -17.7 | 0 | 0 | 0 | 113.4 | S6 | D4-S6 VanDerWaalsContact C-N 3.26Å; D4-S6 PolarHBondContact O-N 3.34Å |
| 5 | C | 58.3 | Low | 42.9 | Very low | 14 Ų | 14 | 139.1 Ų | 139.1 | 10% | 0.095 | 67% | 0.673 | C | S | . | * | G | 310 helix | trans | -77.4 | 1.1 | -178.3 | -46.2 | 0 | 0 | 0 | 0 | 114.8 | R3 C86 K93 | R3-C5 PolarHBondContact O-N 2.89Å; C5-C86 HydrophobicContact CB-CB 3.98Å; C5-C86 WeakPolarHBondContact CB-SG 3.35Å; C5-C86 VanDerWaalsContact SG-CA 3.54Å; C5-C86 WeakPolarHBondContact SG-CB 3.37Å; C5-C86 CovalentContact SG-SG 2.06Å; C5-C86 PolarHBondContact SG-SG 3.31Å; C5-K93 PolarHBondContact O-NZ 2.94Å |
| 6 | S | 52.6 | Low | 41.9 | Very low | 58 Ų | 58 | 135.8 Ų | 135.8 | 41% | 0.406 | 67% | 0.668 | S | S | . | * | G | 310 helix | trans | -108.9 | -8.4 | -169.7 | -82.1 | 0 | 0 | 0 | 0 | 117.5 | R3 D4 D8 | R3-S6 PolarHBondContact O-N 3.4Å; D4-S6 VanDerWaalsContact C-N 3.26Å; D4-S6 PolarHBondContact O-N 3.34Å; S6-D8 PolarHBondContact O-N 3.43Å |
| 7 | D | 47.8 | Very low | 41 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | trans | -91.2 | 11.4 | -170.8 | -85.8 | -26.1 | 0 | 0 | 0 | 116.5 | K9 | D7-K9 PolarHBondContact O-N 3.43Š| ||
| 8 | D | 47.6 | Very low | 40.3 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 54% | 0.54 | 68% | 0.68 | S | S | . | * | trans | -83.1 | 37.6 | 176.3 | -144.7 | -1.9 | 0 | 0 | 0 | 113.8 | S6 K10 S11 | S6-D8 PolarHBondContact O-N 3.43Å; D8-K10 VanDerWaalsContact C-N 3.3Å; D8-K10 PolarHBondContact O-N 3.48Å; D8-S11 PolarHBondContact OD1-OG 3.34Å | ||
| 9 | K | 38.8 | Very low | 39.5 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 86% | 0.861 | 69% | 0.692 | S | S | * | * | trans | -83.8 | 6.8 | -177.8 | -101.6 | -174.4 | 179.8 | 178.3 | 0 | 114.5 | D7 | D7-K9 PolarHBondContact O-N 3.43Š| ||
| 10 | K | 35.2 | Very low | 39.1 | Very low | 200 Ų | 200 | 136.9 Ų | 136.9 | 87% | 0.87 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -127.2 | -4.1 | -174.9 | -111.6 | -179.3 | 179.5 | -178.5 | 0 | 116.4 | D8 | D8-K10 VanDerWaalsContact C-N 3.3Å; D8-K10 PolarHBondContact O-N 3.48Å |
| 11 | S | 37.3 | Very low | 38.7 | Very low | 80 Ų | 80 | 134.8 Ų | 134.8 | 56% | 0.559 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -87.5 | -8.8 | -177.4 | 58.7 | 0 | 0 | 0 | 0 | 115 | D8 R13 | D8-S11 PolarHBondContact OD1-OG 3.34Å; S11-R13 PolarHBondContact O-N 3.46Å |
| 12 | D | 35.3 | Very low | 37.7 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 86% | 0.861 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -98.2 | 26.2 | -173.3 | -143 | 1.6 | 0 | 0 | 0 | 114.6 | ||
| 13 | R | 29.8 | Very low | 37 | Very low | 224 Ų | 224 | 139.2 Ų | 139.2 | 85% | 0.845 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -136.9 | 107.5 | 170.4 | -71.3 | -170.8 | -157.2 | -173.7 | 6.7 | 110.6 | S11 | S11-R13 PolarHBondContact O-N 3.46Š|
| 14 | R | 27.5 | Very low | 36 | Very low | 214 Ų | 214 | 138 Ų | 138 | 81% | 0.808 | 71% | 0.714 | S | S | * | * | trans | 65.1 | 89.7 | 170.8 | -78.4 | -179 | -83.5 | -157.7 | -5.2 | 114.6 | S16 | R14-S16 WeakPolarHBondContact CD-OG 3.37Å; R14-S16 PolarHBondContact O-N 2.99Å | ||
| 15 | V | 28.6 | Very low | 34.8 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | trans | -68 | 75.1 | 132.2 | -178.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 16 | S | 27.3 | Very low | 33.5 | Very low | 85 Ų | 85 | 150.1 Ų | 150.1 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | trans | -83.3 | 110.5 | 162.6 | -89.1 | 0 | 0 | 0 | 0 | 105.5 | R14 G18 | R14-S16 WeakPolarHBondContact CD-OG 3.37Å; R14-S16 PolarHBondContact O-N 2.99Å; S16-G18 PolarHBondContact O-N 3.42Å; S16-G18 VanDerWaalsContact O-N 3.09Å | ||
| 17 | F | 26.5 | Very low | 32.4 | Very low | 209 Ų | 209 | 155.9 Ų | 155.9 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | trans | -42.7 | 113.1 | 162.3 | -89.4 | -104.3 | 0 | 0 | 0 | 109.5 | ||||
| 18 | G | 28.2 | Very low | 31.5 | Very low | 61 Ų | 61 | 153.4 Ų | 153.4 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | trans | -141.8 | 101.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | S16 P20 | S16-G18 PolarHBondContact O-N 3.42Å; S16-G18 VanDerWaalsContact O-N 3.09Å; G18-P20 WeakPolarHBondContact O-CD 3.34Å | ||
| 19 | L | 24.3 | Very low | 30.7 | Very low | 175 Ų | 175 | 154.6 Ų | 154.6 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -52.1 | 128.6 | 169 | -80.2 | 140.8 | 0 | 0 | 0 | 109.8 | ||||
| 20 | P | 32.3 | Very low | 30.3 | Very low | 120 Ų | 120 | 153.8 Ų | 153.8 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -93.6 | 115.5 | 146.7 | 4.9 | 16.3 | 0 | 0 | 0 | 107.4 | G18 | G18-P20 WeakPolarHBondContact O-CD 3.34Š| ||
| 21 | S | 30.3 | Very low | 30.1 | Very low | 94 Ų | 94 | 148 Ų | 148 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | -49.4 | 138 | 163 | 38.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 22 | D | 28.4 | Very low | 29.6 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | trans | 53.1 | 91.7 | 142.5 | -44.7 | -29.9 | 0 | 0 | 0 | 118.5 | ||||
| 23 | E | 32.2 | Very low | 29.4 | Very low | 203 Ų | 203 | 150.1 Ų | 150.1 | 95% | 0.949 | 81% | 0.805 | S | S | * | * | trans | -144.6 | 93.6 | 137.8 | -71.5 | -166.4 | 152.7 | 0 | 0 | 108.1 | E25 | E23-E25 PolarHBondContact O-N 3.18Š| ||
| 24 | E | 30.5 | Very low | 29.4 | Very low | 189 Ų | 189 | 145.1 Ų | 145.1 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -70.8 | 110.8 | 162.6 | -76.2 | 175.1 | 149.2 | 0 | 0 | 108.2 | ||||
| 25 | E | 32.2 | Very low | 29.7 | Very low | 199 Ų | 199 | 141.6 Ų | 141.6 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -90.3 | 95.2 | 157.3 | -110.1 | -179.2 | 171.8 | 0 | 0 | 107.6 | E23 D27 | E23-E25 PolarHBondContact O-N 3.18Å; E25-D27 PolarHBondContact O-N 3.24Å | ||
| 26 | E | 29.8 | Very low | 30 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | trans | -80.2 | 100.7 | 174.8 | -159.4 | -168.7 | 168.2 | 0 | 0 | 109.2 | T28 | E26-T28 VanDerWaalsContact C-N 3.29Å; E26-T28 VanDerWaalsContact CD-OG1 3.23Å; E26-T28 HydrophobicContact CG-CG2 4Å; E26-T28 WeakPolarHBondContact CG-OG1 3.37Å; E26-T28 PolarHBondContact O-N 3.44Å; E26-T28 PolarHBondContact OE1-OG1 2.92Å | ||
| 27 | D | 30.1 | Very low | 30.4 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 96% | 0.957 | 81% | 0.807 | S | S | * | * | trans | -88.3 | 70.7 | 165.5 | -101.2 | -19 | 0 | 0 | 0 | 109.1 | E25 | E25-D27 PolarHBondContact O-N 3.24Š| ||
| 28 | T | 29.2 | Very low | 30.8 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 57% | 0.571 | 80% | 0.8 | S | S | * | * | trans | -101.2 | 91.7 | 166.6 | 42.1 | 0 | 0 | 0 | 0 | 109.7 | E26 E30 | E26-T28 VanDerWaalsContact C-N 3.29Å; E26-T28 VanDerWaalsContact CD-OG1 3.23Å; E26-T28 HydrophobicContact CG-CG2 4Å; E26-T28 WeakPolarHBondContact CG-OG1 3.37Å; E26-T28 PolarHBondContact O-N 3.44Å; E26-T28 PolarHBondContact OE1-OG1 2.92Å; T28-E30 PolarHBondContact O-N 2.91Å | ||
| 29 | S | 31.5 | Very low | 31.1 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 88% | 0.881 | 81% | 0.806 | S | S | * | * | trans | -95.8 | 65.9 | 162 | 68.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 30 | E | 30.3 | Very low | 31.6 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -99.2 | 89.1 | 160.8 | -85.4 | -163.5 | 135.8 | 0 | 0 | 109.2 | T28 T32 | T28-E30 PolarHBondContact O-N 2.91Å; E30-T32 PolarHBondContact O-N 3.05Å | ||
| 31 | G | 31.3 | Very low | 31.5 | Very low | 79 Ų | 79 | 138 Ų | 138 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | -89.2 | 86.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L33 | G31-L33 PolarHBondContact O-N 3.17Š| ||
| 32 | T | 26.6 | Very low | 31.7 | Very low | 118 Ų | 118 | 139 Ų | 139 | 72% | 0.724 | 81% | 0.807 | S | S | * | * | trans | -68.4 | 112.3 | 167 | -66.2 | 0 | 0 | 0 | 0 | 109.2 | E30 T34 | E30-T32 PolarHBondContact O-N 3.05Å; T32-T34 HydrophobicContact CG2-CG2 4.16Å | ||
| 33 | L | 31.4 | Very low | 32 | Very low | 167 Ų | 167 | 137 Ų | 137 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -126.7 | 99.4 | 164.8 | -108 | 157.9 | 0 | 0 | 0 | 108.7 | G31 | G31-L33 PolarHBondContact O-N 3.17Š| ||
| 34 | T | 28.1 | Very low | 31.9 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | trans | -74 | 115.2 | 171.1 | 49.8 | 0 | 0 | 0 | 0 | 110 | T32 | T32-T34 HydrophobicContact CG2-CG2 4.16Š| ||
| 35 | V | 34.1 | Very low | 31.9 | Very low | 141 Ų | 141 | 130 Ų | 130 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -153.3 | 124.2 | 145 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 36 | S | 34.7 | Very low | 32 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | trans | -66.6 | 161.8 | 176.5 | -54.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 37 | D | 37.3 | Very low | 32.3 | Very low | 162 Ų | 162 | 126.1 Ų | 126.1 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | 92.3 | 111.2 | 158.8 | -52.1 | -30.6 | 0 | 0 | 0 | 118.4 | ||||
| 38 | A | 34.3 | Very low | 32.6 | Very low | 93 Ų | 93 | 127.1 Ų | 127.1 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -72 | -172.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 39 | P | 34.6 | Very low | 32.7 | Very low | 118 Ų | 118 | 126 Ų | 126 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | cis | -139.8 | 175.3 | -3.7 | 38.3 | -17.8 | 0 | 0 | 0 | 116.5 | ||||
| 40 | A | 34 | Very low | 33.2 | Very low | 87 Ų | 87 | 127.5 Ų | 127.5 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | 71.3 | 131.8 | 145.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 41 | N | 31.1 | Very low | 33.7 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | 83.4 | 94.4 | 157.3 | -62.4 | -15.1 | 0 | 0 | 0 | 119.1 | ||||
| 42 | S | 35 | Very low | 34.4 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | 179.3 | 117.1 | 119.5 | 38.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 43 | S | 34.5 | Very low | 35.6 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 28.4 | 101.5 | 145.1 | 55.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 44 | V | 28.4 | Very low | 37.1 | Very low | 129 Ų | 129 | 125.6 Ų | 125.6 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | 32.7 | 111.3 | 123.8 | -173.1 | 0 | 0 | 0 | 0 | 118.3 | I46 | V44-I46 HydrophobicContact CG1-CG1 4.46Š| |||
| 45 | S | 32.1 | Very low | 39.1 | Very low | 117 Ų | 117 | 122.9 Ų | 122.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -138 | 99.9 | 132.4 | 60.9 | 0 | 0 | 0 | 0 | 109.3 | S47 | S45-S47 PolarHBondContact O-N 2.89Š| ||
| 46 | I | 33.4 | Very low | 40.9 | Very low | 154 Ų | 154 | 120.7 Ų | 120.7 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | -77.7 | 98.7 | 173.3 | -67.1 | 171.3 | 0 | 0 | 0 | 106.8 | V44 K48 | V44-I46 HydrophobicContact CG1-CG1 4.46Å; I46-K48 PolarHBondContact O-N 3.28Å | ||
| 47 | S | 35.5 | Very low | 42.6 | Very low | 108 Ų | 108 | 120 Ų | 120 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 122.5 | 165.6 | 61.5 | 0 | 0 | 0 | 0 | 108.3 | S45 G49 | S45-S47 PolarHBondContact O-N 2.89Å; S47-G49 PolarHBondContact O-N 3.28Å |
| 48 | K | 36.8 | Very low | 44.2 | Very low | 200 Ų | 200 | 115.2 Ų | 115.2 | 87% | 0.87 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -57 | 120.1 | 176 | -76.6 | 173.5 | 175.2 | 172.3 | 0 | 109 | I46 I50 | I46-K48 PolarHBondContact O-N 3.28Å; K48-I50 PolarHBondContact O-N 2.91Å |
| 49 | G | 32.4 | Very low | 46 | Very low | 70 Ų | 70 | 115.1 Ų | 115.1 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 124.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S47 K51 | S47-G49 PolarHBondContact O-N 3.28Å; G49-K51 PolarHBondContact O-N 3.48Å |
| 50 | I | 41 | Very low | 47.8 | Very low | 158 Ų | 158 | 110.4 Ų | 110.4 | 81% | 0.81 | 66% | 0.658 | S | S | * | * | trans | -62.7 | 112.4 | 164.1 | -63.2 | 169.7 | 0 | 0 | 0 | 105.9 | K48 | K48-I50 PolarHBondContact O-N 2.91Š| ||
| 51 | K | 40.3 | Very low | 49.5 | Very low | 188 Ų | 188 | 108.9 Ų | 108.9 | 82% | 0.817 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 125.8 | 169.8 | -72.5 | -178.3 | 178.7 | -179.3 | 0 | 107.1 | G49 V53 | G49-K51 PolarHBondContact O-N 3.48Å; K51-V53 PolarHBondContact O-N 3.34Å |
| 52 | P | 47.2 | Very low | 51.4 | Low | 118 Ų | 118 | 105.8 Ų | 105.8 | 77% | 0.766 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 128.6 | 178.5 | 22.6 | -31.1 | 0 | 0 | 0 | 108.9 | ||
| 53 | V | 51.4 | Low | 53.3 | Low | 133 Ų | 133 | 103.9 Ų | 103.9 | 81% | 0.806 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 123.5 | 174.3 | 178.1 | 0 | 0 | 0 | 0 | 106.7 | K51 S55 | K51-V53 PolarHBondContact O-N 3.34Å; V53-S55 PolarHBondContact O-N 2.94Å |
| 54 | P | 62.6 | Low | 54.9 | Low | 65 Ų | 65 | 99.3 Ų | 99.3 | 42% | 0.422 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 137.7 | -179.2 | 21.1 | -29.3 | 0 | 0 | 0 | 109.6 | T58 | P54-T58 HydrophobicContact CB-CG2 3.94Š|
| 55 | S | 70.1 | Confident | 56.8 | Low | 63 Ų | 63 | 96.8 Ų | 96.8 | 44% | 0.441 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -54 | 153 | 175.8 | 80.4 | 0 | 0 | 0 | 0 | 110.2 | V53 N57 T58 L59 | V53-S55 PolarHBondContact O-N 2.94Å; S55-N57 PolarHBondContact O-N 3.32Å; S55-N57 VanDerWaalsContact O-N 3.13Å; S55-T58 CarbonylContact O-C 3.5Å; S55-T58 WeakPolarHBondContact O-CA 3.3Å; S55-T58 WeakPolarHBondContact O-CB 3.22Å; S55-T58 PolarHBondContact O-N 3.26Å; S55-T58 PolarHBondContact OG-N 2.92Å; S55-T58 VanDerWaalsContact OG-N 3.14Å; S55-T58 PolarHBondContact OG-OG1 3.41Å; S55-L59 PolarHBondContact O-N 2.93Å |
| 56 | L | 73 | Confident | 58.7 | Low | 95 Ų | 95 | 91.8 Ų | 91.8 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -55.9 | -34.9 | -179.2 | -169.4 | 73.3 | 0 | 0 | 0 | 112.1 | L59 N60 W466 M473 | L56-L59 PolarHBondContact O-N 3.07Å; L56-N60 PolarHBondContact O-N 3.5Å; L56-W466 HydrophobicContact CD1-CH2 3.74Å; L56-W466 HydrophobicContact CD1-CZ2 4.11Å; L56-W466 HydrophobicContact CD2-CH2 4.12Å; L56-W466 HydrophobicContact CD2-CZ2 3.7Å; L56-W466 HydrophobicContact CG-CH2 3.7Å; L56-W466 HydrophobicContact CG-CZ2 3.53Å; L56-M473 HydrophobicContact CD2-CE 4.35Å |
| 57 | N | 70 | Confident | 60.3 | Low | 81 Ų | 81 | 84.4 Ų | 84.4 | 43% | 0.433 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 174.5 | -65.4 | -19.4 | 0 | 0 | 0 | 111.8 | S55 L59 N60 L61 | S55-N57 PolarHBondContact O-N 3.32Å; S55-N57 VanDerWaalsContact O-N 3.13Å; N57-L59 VanDerWaalsContact C-N 3.33Å; N57-L59 PolarHBondContact O-N 3.25Å; N57-N60 PolarHBondContact O-N 3.49Å; N57-L61 WeakPolarHBondContact O-CB 3.36Å; N57-L61 PolarHBondContact O-N 3.47Å |
| 58 | T | 70.7 | Confident | 62.3 | Low | 61 Ų | 61 | 80.7 Ų | 80.7 | 37% | 0.374 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 174.6 | -50 | 0 | 0 | 0 | 0 | 111.4 | P54 S55 L61 L62 | P54-T58 HydrophobicContact CB-CG2 3.94Å; S55-T58 CarbonylContact O-C 3.5Å; S55-T58 WeakPolarHBondContact O-CA 3.3Å; S55-T58 WeakPolarHBondContact O-CB 3.22Å; S55-T58 PolarHBondContact O-N 3.26Å; S55-T58 PolarHBondContact OG-N 2.92Å; S55-T58 VanDerWaalsContact OG-N 3.14Å; S55-T58 PolarHBondContact OG-OG1 3.41Å; T58-L61 WeakPolarHBondContact O-CB 3.34Å; T58-L61 PolarHBondContact O-N 3.07Å; T58-L62 WeakPolarHBondContact O-CG 3.42Å; T58-L62 PolarHBondContact O-N 2.98Å |
| 59 | L | 71.2 | Confident | 64.2 | Low | 91 Ų | 91 | 74.3 Ų | 74.3 | 48% | 0.476 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 177.4 | -171.5 | 66.3 | 0 | 0 | 0 | 111.9 | S55 L56 N57 L61 L62 E63 | S55-L59 PolarHBondContact O-N 2.93Å; L56-L59 PolarHBondContact O-N 3.07Å; N57-L59 VanDerWaalsContact C-N 3.33Å; N57-L59 PolarHBondContact O-N 3.25Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L59-L61 PolarHBondContact O-N 3.48Å; L59-L62 PolarHBondContact O-N 2.77Å; L59-E63 PolarHBondContact O-N 2.9Å |
| 60 | N | 72.2 | Confident | 66.4 | Low | 20 Ų | 20 | 78 Ų | 78 | 11% | 0.107 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 173 | 175.8 | 24.1 | 0 | 0 | 0 | 111.4 | L56 N57 L62 E63 R64 W466 | L56-N60 PolarHBondContact O-N 3.5Å; N57-N60 PolarHBondContact O-N 3.49Å; N60-L62 VanDerWaalsContact C-N 3.35Å; N60-L62 PolarHBondContact O-N 2.79Å; N60-E63 PolarHBondContact O-N 3.03Å; N60-R64 WeakPolarHBondContact O-CB 3.19Å; N60-R64 PolarHBondContact O-N 3.32Å; N60-W466 HydrophobicContact CB-CD2 3.76Å; N60-W466 HydrophobicContact CB-CE3 3.99Å; N60-W466 HydrophobicContact CB-CG 4.33Å; N60-W466 HydrophobicContact CB-CH2 4.12Å; N60-W466 HydrophobicContact CB-CZ2 3.91Å; N60-W466 HydrophobicContact CB-CZ3 4.15Å; N60-W466 VanDerWaalsContact CG-CG 3.45Å; N60-W466 PolarHBondContact ND2-NE1 3.22Å |
| 61 | L | 70.4 | Confident | 68.2 | Low | 54 Ų | 54 | 76.2 Ų | 76.2 | 28% | 0.283 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.7 | -48.7 | 175.1 | -167.7 | 86.3 | 0 | 0 | 0 | 111.3 | N57 T58 L59 E63 R64 Q65 E289 | N57-L61 WeakPolarHBondContact O-CB 3.36Å; N57-L61 PolarHBondContact O-N 3.47Å; T58-L61 WeakPolarHBondContact O-CB 3.34Å; T58-L61 PolarHBondContact O-N 3.07Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L59-L61 PolarHBondContact O-N 3.48Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-E63 PolarHBondContact O-N 3.11Å; L61-R64 WeakPolarHBondContact O-CB 3.21Å; L61-R64 PolarHBondContact O-N 3.4Å; L61-Q65 WeakPolarHBondContact O-CG 3.42Å; L61-Q65 PolarHBondContact O-N 3.47Å; L61-E289 HydrophobicContact CD1-CG 4.29Å |
| 62 | L | 70.3 | Confident | 70.3 | Confident | 92 Ų | 92 | 71.2 Ų | 71.2 | 48% | 0.482 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.1 | -37.7 | 178.8 | -69 | 171.9 | 0 | 0 | 0 | 112.5 | T58 L59 N60 G66 | T58-L62 WeakPolarHBondContact O-CG 3.42Å; T58-L62 PolarHBondContact O-N 2.98Å; L59-L62 PolarHBondContact O-N 2.77Å; N60-L62 VanDerWaalsContact C-N 3.35Å; N60-L62 PolarHBondContact O-N 2.79Å; L62-G66 PolarHBondContact O-N 2.87Å |
| 63 | E | 75.2 | Confident | 72.2 | Confident | 76 Ų | 76 | 68.7 Ų | 68.7 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 175.2 | -163.6 | -178.8 | 171 | 0 | 0 | 111 | L59 N60 L61 G66 F67 H462 | L59-E63 PolarHBondContact O-N 2.9Å; N60-E63 PolarHBondContact O-N 3.03Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-E63 PolarHBondContact O-N 3.11Å; E63-G66 VanDerWaalsContact O-CA 3.31Å; E63-G66 WeakPolarHBondContact O-CA 3.39Å; E63-G66 PolarHBondContact O-N 3.46Å; E63-F67 HydrophobicContact CG-CE2 4.23Å; E63-F67 WeakPolarHBondContact O-CD2 3.47Å; E63-F67 WeakPolarHBondContact O-CE2 3.47Å; E63-H462 IonicContact OE1-CE1 3.55Å; E63-H462 IonicContact OE2-CE1 2.56Å; E63-H462 IonicContact OE2-NE2 2.83Å |
| 64 | R | 68.6 | Low | 73.9 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 5% | 0.049 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 175.9 | -170.1 | 165.5 | 169.2 | -110.6 | -15.9 | 111.8 | N60 L61 G66 F67 E289 Q459 | N60-R64 WeakPolarHBondContact O-CB 3.19Å; N60-R64 PolarHBondContact O-N 3.32Å; L61-R64 WeakPolarHBondContact O-CB 3.21Å; L61-R64 PolarHBondContact O-N 3.4Å; R64-G66 PolarHBondContact O-N 3.35Å; R64-G66 VanDerWaalsContact O-N 3.13Å; R64-F67 PolarHBondContact O-N 2.95Å; R64-E289 IonicContact CZ-OE2 2.66Å; R64-E289 VanDerWaalsContact NH1-CB 3.33Å; R64-E289 IonicContact NH1-OE2 3.83Å; R64-E289 PolarHBondContact NH1-OE2 3.28Å; R64-Q459 HydrophobicContact CG-CB 3.76Å; R64-Q459 HydrophobicContact CG-CG 3.75Å; R64-Q459 PolarHBondContact NE-O 3.26Å |
| 65 | Q | 68.5 | Low | 75.1 | Confident | 75 Ų | 75 | 72.4 Ų | 72.4 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -11.2 | 172.3 | -69.1 | -178.8 | -6.2 | 0 | 0 | 113.6 | L61 V68 E289 | L61-Q65 WeakPolarHBondContact O-CG 3.42Å; L61-Q65 PolarHBondContact O-N 3.47Å; Q65-V68 WeakPolarHBondContact O-CG2 3.31Å; Q65-E289 WeakPolarHBondContact CG-OE1 3.47Å; Q65-E289 PolarHBondContact NE2-OE1 3.1Å |
| 66 | G | 71.4 | Confident | 75.9 | Confident | 12 Ų | 12 | 69.4 Ų | 69.4 | 12% | 0.124 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -19.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L62 E63 R64 V68 | L62-G66 PolarHBondContact O-N 2.87Å; E63-G66 VanDerWaalsContact O-CA 3.31Å; E63-G66 WeakPolarHBondContact O-CA 3.39Å; E63-G66 PolarHBondContact O-N 3.46Å; R64-G66 PolarHBondContact O-N 3.35Å; R64-G66 VanDerWaalsContact O-N 3.13Å; G66-V68 VanDerWaalsContact C-N 3.3Å; G66-V68 PolarHBondContact O-N 3.09Å; G66-V68 VanDerWaalsContact O-N 3.13Å |
| 67 | F | 68.2 | Low | 76.8 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -87.9 | 68.7 | 178.1 | -64.7 | -90.3 | 0 | 0 | 0 | 111 | E63 R64 R75 Y79 Q459 H462 | E63-F67 HydrophobicContact CG-CE2 4.23Å; E63-F67 WeakPolarHBondContact O-CD2 3.47Å; E63-F67 WeakPolarHBondContact O-CE2 3.47Å; R64-F67 PolarHBondContact O-N 2.95Å; F67-R75 HydrophobicContact CD1-CG 4.39Å; F67-R75 HydrophobicContact CE1-CG 3.87Å; F67-Y79 HydrophobicContact CD1-CD1 4.19Å; F67-Y79 HydrophobicContact CD1-CE1 4.49Å; F67-Y79 HydrophobicContact CD1-CG 4.34Å; F67-Y79 AromaticContact CE1-CD1 3.74Å; F67-Y79 HydrophobicContact CE1-CD1 3.74Å; F67-Y79 HydrophobicContact CE1-CD2 4.22Å; F67-Y79 AromaticContact CE1-CE1 3.62Å; F67-Y79 HydrophobicContact CE1-CE1 3.62Å; F67-Y79 HydrophobicContact CE1-CE2 4.07Å; F67-Y79 HydrophobicContact CE1-CG 4.07Å; F67-Y79 AromaticContact CE1-CZ 3.78Å; F67-Y79 HydrophobicContact CZ-CD1 4.2Å; F67-Y79 AromaticContact CZ-CE1 3.74Å; F67-Y79 HydrophobicContact CZ-CE1 3.74Å; F67-Q459 HydrophobicContact CB-CG 4.44Å; F67-H462 HydrophobicContact CD2-CB 4.31Å; F67-H462 HydrophobicContact CE2-CB 4.1Å; F67-H462 AromaticContact CE2-CD2 3.86Å; F67-H462 AromaticContact CE2-CE1 3.57Å; F67-H462 AromaticContact CE2-CG 3.5Å; F67-H462 VanDerWaalsContact CE2-CG 3.5Å; F67-H462 AromaticContact CE2-ND1 3.32Å; F67-H462 VanDerWaalsContact CE2-ND1 3.32Å; F67-H462 WeakPolarHBondContact CE2-ND1 3.46Å; F67-H462 AromaticContact CE2-NE2 3.87Å; F67-H462 AromaticContact CZ-CE1 3.98Å; F67-H462 AromaticContact CZ-ND1 3.53Å | ||
| 68 | V | 76.6 | Confident | 77.8 | Confident | 30 Ų | 30 | 70 Ų | 70 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | trans | -115.7 | 139.5 | 171.3 | -170.7 | 0 | 0 | 0 | 0 | 107.8 | Q65 G66 H70 K71 K72 | Q65-V68 WeakPolarHBondContact O-CG2 3.31Å; G66-V68 VanDerWaalsContact C-N 3.3Å; G66-V68 PolarHBondContact O-N 3.09Å; G66-V68 VanDerWaalsContact O-N 3.13Å; V68-H70 WeakPolarHBondContact CG1-ND1 3.5Å; V68-H70 PolarHBondContact O-N 3.47Å; V68-H70 VanDerWaalsContact O-N 3.08Å; V68-K71 PolarHBondContact O-N 2.84Å; V68-K72 PolarHBondContact O-N 2.98Å; V68-K72 VanDerWaalsContact O-N 3.11Å | ||
| 69 | M | 77 | Confident | 78.8 | Confident | 66 Ų | 66 | 68.6 Ų | 68.6 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -36.1 | -177.7 | -166 | -163.3 | -73.9 | 0 | 0 | 112.3 | K71 P73 I451 V454 N455 | M69-K71 PolarHBondContact O-N 3.28Å; M69-P73 VanDerWaalsContact O-CA 3.31Å; M69-P73 WeakPolarHBondContact O-CA 3.45Å; M69-P73 WeakPolarHBondContact O-CB 3.32Å; M69-P73 WeakPolarHBondContact O-CD 3.39Å; M69-I451 HydrophobicContact CB-CG2 4.11Å; M69-I451 HydrophobicContact CE-CB 4.14Å; M69-I451 HydrophobicContact CE-CG1 3.67Å; M69-I451 HydrophobicContact CE-CG2 4.08Å; M69-I451 HydrophobicContact SD-CG1 4.04Å; M69-I451 HydrophobicContact SD-CG2 4.35Å; M69-V454 HydrophobicContact CE-CB 4.31Å; M69-V454 HydrophobicContact CE-CG1 4.23Å; M69-N455 PolarHBondContact N-OD1 3.01Å |
| 70 | H | 77.8 | Confident | 79.7 | Confident | 147 Ų | 147 | 64.6 Ų | 64.6 | 68% | 0.681 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -25 | 178.8 | 81.6 | -94.9 | 0 | 0 | 0 | 114.6 | V68 | V68-H70 WeakPolarHBondContact CG1-ND1 3.5Å; V68-H70 PolarHBondContact O-N 3.47Å; V68-H70 VanDerWaalsContact O-N 3.08Å |
| 71 | K | 79.9 | Confident | 80.6 | Confident | 121 Ų | 121 | 66.8 Ų | 66.8 | 53% | 0.526 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -45.6 | -179.6 | -62.5 | -175 | -179.5 | 168.2 | 0 | 111.9 | V68 M69 | V68-K71 PolarHBondContact O-N 2.84Å; M69-K71 PolarHBondContact O-N 3.28Å |
| 72 | K | 83.7 | Confident | 81.7 | Confident | 83 Ų | 83 | 64.7 Ų | 64.7 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | trans | -140.5 | 66.7 | -171.5 | -63.2 | -178.6 | -177.8 | 169.6 | 0 | 111.3 | V68 F74 R75 T76 | V68-K72 PolarHBondContact O-N 2.98Å; V68-K72 VanDerWaalsContact O-N 3.11Å; K72-F74 PolarHBondContact O-N 3.46Å; K72-R75 HydrophobicContact CB-CB 4.16Å; K72-R75 PolarHBondContact O-N 2.79Å; K72-T76 WeakPolarHBondContact O-CB 3.27Å; K72-T76 PolarHBondContact O-N 3.11Å; K72-T76 PolarHBondContact O-OG1 3.28Å | ||
| 73 | P | 87 | Confident | 82.7 | Confident | 65 Ų | 65 | 60.3 Ų | 60.3 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.1 | -50.7 | -167 | 20.6 | -32.8 | 0 | 0 | 0 | 113.5 | M69 R75 T76 L77 | M69-P73 VanDerWaalsContact O-CA 3.31Å; M69-P73 WeakPolarHBondContact O-CA 3.45Å; M69-P73 WeakPolarHBondContact O-CB 3.32Å; M69-P73 WeakPolarHBondContact O-CD 3.39Å; P73-R75 PolarHBondContact O-N 3.11Å; P73-T76 PolarHBondContact O-N 2.9Å; P73-L77 WeakPolarHBondContact O-CB 3.48Å; P73-L77 PolarHBondContact O-N 3.21Å |
| 74 | F | 88.5 | Confident | 83.4 | Confident | 179 Ų | 179 | 59.8 Ų | 59.8 | 79% | 0.785 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.1 | -37.7 | -178.5 | -63.7 | -72.9 | 0 | 0 | 0 | 113.1 | K72 H78 | K72-F74 PolarHBondContact O-N 3.46Å; F74-H78 WeakPolarHBondContact O-CB 3.24Å; F74-H78 PolarHBondContact O-N 3.42Å |
| 75 | R | 86.5 | Confident | 84.6 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 37% | 0.366 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.4 | -42.9 | 179.1 | -165.1 | 178 | 177.6 | -173.5 | -11.9 | 110.8 | F67 K72 P73 H78 Y79 | F67-R75 HydrophobicContact CD1-CG 4.39Å; F67-R75 HydrophobicContact CE1-CG 3.87Å; K72-R75 HydrophobicContact CB-CB 4.16Å; K72-R75 PolarHBondContact O-N 2.79Å; P73-R75 PolarHBondContact O-N 3.11Å; R75-H78 PolarHBondContact O-N 3.45Å; R75-Y79 HydrophobicContact CG-CD2 3.88Å; R75-Y79 HydrophobicContact CG-CE2 3.66Å; R75-Y79 PolarHBondContact NH2-OH 2.92Å; R75-Y79 VanDerWaalsContact NH2-OH 3.09Å; R75-Y79 WeakPolarHBondContact O-CB 3.26Å; R75-Y79 WeakPolarHBondContact O-CD2 3.34Å; R75-Y79 PolarHBondContact O-N 2.85Å |
| 76 | T | 88.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.6 | -46 | 175.2 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | K72 P73 H78 Y79 S80 V454 A458 | K72-T76 WeakPolarHBondContact O-CB 3.27Å; K72-T76 PolarHBondContact O-N 3.11Å; K72-T76 PolarHBondContact O-OG1 3.28Å; P73-T76 PolarHBondContact O-N 2.9Å; T76-H78 PolarHBondContact O-N 2.99Å; T76-Y79 PolarHBondContact O-N 2.7Å; T76-S80 WeakPolarHBondContact O-CB 3.44Å; T76-S80 PolarHBondContact O-N 2.81Å; T76-S80 PolarHBondContact O-OG 3.45Å; T76-V454 HydrophobicContact CG2-CG1 4.28Å; T76-A458 HydrophobicContact CG2-CB 3.51Å; T76-A458 VanDerWaalsContact O-CB 3.3Å; T76-A458 WeakPolarHBondContact O-CB 3.38Å |
| 77 | L | 90.7 | Very high | 86.5 | Confident | 96 Ų | 96 | 63.6 Ų | 63.6 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 178.5 | -171.9 | 66.3 | 0 | 0 | 0 | 113 | P73 S80 S81 | P73-L77 WeakPolarHBondContact O-CB 3.48Å; P73-L77 PolarHBondContact O-N 3.21Å; L77-S80 WeakPolarHBondContact CA-OG 3.23Å; L77-S80 PolarHBondContact O-OG 2.06Å; L77-S81 WeakPolarHBondContact O-CB 3.39Å; L77-S81 PolarHBondContact O-N 3.2Å; L77-S81 PolarHBondContact O-OG 2.72Å |
| 78 | H | 92 | Very high | 87.5 | Confident | 91 Ų | 91 | 68.7 Ų | 68.7 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.8 | -48.1 | 174.2 | 176.9 | -85.4 | 0 | 0 | 0 | 111.2 | F74 R75 T76 S80 S81 C82 | F74-H78 WeakPolarHBondContact O-CB 3.24Å; F74-H78 PolarHBondContact O-N 3.42Å; R75-H78 PolarHBondContact O-N 3.45Å; T76-H78 PolarHBondContact O-N 2.99Å; H78-S80 PolarHBondContact O-N 3.21Å; H78-S81 PolarHBondContact O-N 3.22Å; H78-C82 PolarHBondContact CE1-SG 2.91Å; H78-C82 PolarHBondContact O-N 3.45Å; H78-C82 PolarHBondContact O-SG 3.28Å |
| 79 | Y | 90.4 | Very high | 88.1 | Confident | 32 Ų | 32 | 68.5 Ų | 68.5 | 13% | 0.125 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 179.9 | -84.4 | -126.4 | 0 | 0 | 0 | 111.6 | F67 R75 T76 C82 E83 Y461 H462 L465 | F67-Y79 HydrophobicContact CD1-CD1 4.19Å; F67-Y79 HydrophobicContact CD1-CE1 4.49Å; F67-Y79 HydrophobicContact CD1-CG 4.34Å; F67-Y79 AromaticContact CE1-CD1 3.74Å; F67-Y79 HydrophobicContact CE1-CD1 3.74Å; F67-Y79 HydrophobicContact CE1-CD2 4.22Å; F67-Y79 AromaticContact CE1-CE1 3.62Å; F67-Y79 HydrophobicContact CE1-CE1 3.62Å; F67-Y79 HydrophobicContact CE1-CE2 4.07Å; F67-Y79 HydrophobicContact CE1-CG 4.07Å; F67-Y79 AromaticContact CE1-CZ 3.78Å; F67-Y79 HydrophobicContact CZ-CD1 4.2Å; F67-Y79 AromaticContact CZ-CE1 3.74Å; F67-Y79 HydrophobicContact CZ-CE1 3.74Å; R75-Y79 HydrophobicContact CG-CD2 3.88Å; R75-Y79 HydrophobicContact CG-CE2 3.66Å; R75-Y79 PolarHBondContact NH2-OH 2.92Å; R75-Y79 VanDerWaalsContact NH2-OH 3.09Å; R75-Y79 WeakPolarHBondContact O-CB 3.26Å; R75-Y79 WeakPolarHBondContact O-CD2 3.34Å; R75-Y79 PolarHBondContact O-N 2.85Å; T76-Y79 PolarHBondContact O-N 2.7Å; Y79-C82 PolarHBondContact O-N 3.08Å; Y79-E83 PolarHBondContact O-N 3.42Å; Y79-Y461 AromaticContact CD1-CD1 3.52Å; Y79-Y461 HydrophobicContact CD1-CD1 3.52Å; Y79-Y461 HydrophobicContact CD1-CE1 4.32Å; Y79-Y461 HydrophobicContact CD1-CG 4.45Å; Y79-Y461 HydrophobicContact CE1-CD1 4.05Å; Y79-Y461 AromaticContact CG-CD1 3.76Å; Y79-Y461 HydrophobicContact CG-CD1 3.76Å; Y79-Y461 HydrophobicContact CG-CE1 4.45Å; Y79-Y461 WeakPolarHBondContact O-CB 3.42Å; Y79-H462 HydrophobicContact CD1-CB 4.16Å; Y79-H462 HydrophobicContact CE1-CB 4.22Å; Y79-L465 HydrophobicContact CE1-CD1 3.84Å |
| 80 | S | 90.7 | Very high | 88.7 | Confident | 7 Ų | 7 | 67.7 Ų | 67.7 | 5% | 0.049 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 175.5 | 67.3 | 0 | 0 | 0 | 0 | 112 | T76 L77 H78 C82 E83 V84 | T76-S80 WeakPolarHBondContact O-CB 3.44Å; T76-S80 PolarHBondContact O-N 2.81Å; T76-S80 PolarHBondContact O-OG 3.45Å; L77-S80 WeakPolarHBondContact CA-OG 3.23Å; L77-S80 PolarHBondContact O-OG 2.06Å; H78-S80 PolarHBondContact O-N 3.21Å; S80-C82 VanDerWaalsContact C-N 3.32Å; S80-C82 PolarHBondContact O-N 2.87Å; S80-E83 PolarHBondContact O-N 3.21Å; S80-V84 WeakPolarHBondContact O-CG2 3.5Å; S80-V84 PolarHBondContact O-N 3.12Å |
| 81 | S | 91.9 | Very high | 88.9 | Confident | 66 Ų | 66 | 64 Ų | 64 | 46% | 0.462 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 175.9 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | L77 H78 V84 Y85 | L77-S81 WeakPolarHBondContact O-CB 3.39Å; L77-S81 PolarHBondContact O-N 3.2Å; L77-S81 PolarHBondContact O-OG 2.72Å; H78-S81 PolarHBondContact O-N 3.22Å; S81-V84 PolarHBondContact O-N 2.9Å; S81-Y85 WeakPolarHBondContact O-CB 3.49Å; S81-Y85 PolarHBondContact O-N 3.36Å |
| 82 | C | 92.3 | Very high | 89.1 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 173.2 | -69.7 | 0 | 0 | 0 | 0 | 112.3 | H78 Y79 S80 Y85 C86 Y461 | H78-C82 PolarHBondContact CE1-SG 2.91Å; H78-C82 PolarHBondContact O-N 3.45Å; H78-C82 PolarHBondContact O-SG 3.28Å; Y79-C82 PolarHBondContact O-N 3.08Å; S80-C82 VanDerWaalsContact C-N 3.32Å; S80-C82 PolarHBondContact O-N 2.87Å; C82-Y85 PolarHBondContact O-N 2.66Å; C82-C86 PolarHBondContact O-N 2.88Å; C82-Y461 HydrophobicContact CB-CD1 3.92Å; C82-Y461 HydrophobicContact CB-CD2 3.87Å; C82-Y461 HydrophobicContact CB-CE1 3.64Å; C82-Y461 HydrophobicContact CB-CE2 3.61Å; C82-Y461 HydrophobicContact CB-CG 4.04Å; C82-Y461 VanDerWaalsContact CB-CZ 3.5Å |
| 83 | E | 90.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 174.7 | -170 | 56.1 | -161.3 | 0 | 0 | 111.1 | Y79 S80 Y85 C86 M87 L457 R460 Y461 R464 | Y79-E83 PolarHBondContact O-N 3.42Å; S80-E83 PolarHBondContact O-N 3.21Å; E83-Y85 VanDerWaalsContact C-N 3.26Å; E83-Y85 PolarHBondContact O-N 2.81Å; E83-C86 PolarHBondContact O-N 2.89Å; E83-M87 HydrophobicContact CG-CG 4.3Å; E83-M87 HydrophobicContact CG-SD 4.19Å; E83-M87 WeakPolarHBondContact O-CB 3.3Å; E83-M87 WeakPolarHBondContact O-CG 3.47Å; E83-M87 PolarHBondContact O-N 3.46Å; E83-L457 HydrophobicContact CB-CB 4.45Å; E83-L457 HydrophobicContact CB-CD2 4.49Å; E83-L457 WeakPolarHBondContact CB-O 3.36Å; E83-L457 HydrophobicContact CG-CD2 4.03Å; E83-R460 HydrophobicContact CG-CB 4.23Å; E83-R460 HydrophobicContact CG-CG 4.34Å; E83-R460 WeakPolarHBondContact OE1-CD 3.34Å; E83-R460 WeakPolarHBondContact OE1-CG 3.33Å; E83-R460 IonicContact OE1-CZ 2.7Å; E83-R460 IonicContact OE1-NE 3.55Å; E83-R460 PolarHBondContact OE1-NE 3.41Å; E83-Y461 VanDerWaalsContact OE2-CA 3.24Å; E83-Y461 WeakPolarHBondContact OE2-CA 3.27Å; E83-Y461 PolarHBondContact OE2-N 2.85Å; E83-R464 VanDerWaalsContact CD-NE 3.27Å; E83-R464 IonicContact OE1-CZ 2.81Å; E83-R464 IonicContact OE1-NE 3.52Å; E83-R464 PolarHBondContact OE1-NE 2.78Å; E83-R464 IonicContact OE1-NH2 3.78Å; E83-R464 PolarHBondContact OE1-NH2 2.85Å; E83-R464 VanDerWaalsContact OE2-CD 3.22Å; E83-R464 WeakPolarHBondContact OE2-CD 3.45Å; E83-R464 IonicContact OE2-CZ 3.49Å; E83-R464 IonicContact OE2-NE 3.08Å; E83-R464 PolarHBondContact OE2-NE 2.72Å |
| 84 | V | 91.5 | Very high | 89.1 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 39% | 0.394 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 177.9 | 171.3 | 0 | 0 | 0 | 0 | 109.8 | S80 S81 M87 L88 L457 | S80-V84 WeakPolarHBondContact O-CG2 3.5Å; S80-V84 PolarHBondContact O-N 3.12Å; S81-V84 PolarHBondContact O-N 2.9Å; V84-M87 PolarHBondContact O-N 3.35Å; V84-L88 HydrophobicContact CG1-CD1 3.93Å; V84-L88 HydrophobicContact CG1-CG 4.39Å; V84-L88 WeakPolarHBondContact O-CB 3.37Å; V84-L88 WeakPolarHBondContact O-CG 3.31Å; V84-L88 PolarHBondContact O-N 3.36Å; V84-L457 HydrophobicContact CG2-CD1 3.94Å |
| 85 | Y | 92.8 | Very high | 88.9 | Confident | 111 Ų | 111 | 63.7 Ų | 63.7 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62 | -49.3 | 175.6 | -179.3 | -97 | 0 | 0 | 0 | 112.4 | S81 C82 E83 M87 L88 T89 | S81-Y85 WeakPolarHBondContact O-CB 3.49Å; S81-Y85 PolarHBondContact O-N 3.36Å; C82-Y85 PolarHBondContact O-N 2.66Å; E83-Y85 VanDerWaalsContact C-N 3.26Å; E83-Y85 PolarHBondContact O-N 2.81Å; Y85-M87 VanDerWaalsContact C-N 3.35Å; Y85-M87 PolarHBondContact O-N 3.33Å; Y85-L88 PolarHBondContact O-N 2.87Å; Y85-T89 HydrophobicContact CD1-CG2 4.13Å; Y85-T89 HydrophobicContact CD2-CG2 4.48Å; Y85-T89 HydrophobicContact CE1-CG2 3.66Å; Y85-T89 HydrophobicContact CE2-CG2 4.06Å; Y85-T89 WeakPolarHBondContact O-CG2 3.36Å; Y85-T89 PolarHBondContact O-N 3.34Å; Y85-T89 PolarHBondContact O-OG1 2.8Å |
| 86 | C | 90.6 | Very high | 88.8 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 3% | 0.027 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 177.5 | -71.5 | 0 | 0 | 0 | 0 | 110.7 | C5 C82 E83 L88 T89 E90 | C5-C86 HydrophobicContact CB-CB 3.98Å; C5-C86 WeakPolarHBondContact CB-SG 3.35Å; C5-C86 VanDerWaalsContact SG-CA 3.54Å; C5-C86 WeakPolarHBondContact SG-CB 3.37Å; C5-C86 CovalentContact SG-SG 2.06Å; C5-C86 PolarHBondContact SG-SG 3.31Å; C82-C86 PolarHBondContact O-N 2.88Å; E83-C86 PolarHBondContact O-N 2.89Å; C86-L88 VanDerWaalsContact C-N 3.33Å; C86-L88 PolarHBondContact O-N 2.84Å; C86-T89 PolarHBondContact O-N 2.87Å; C86-T89 VanDerWaalsContact O-N 3.12Å; C86-T89 PolarHBondContact O-OG1 2.73Å; C86-E90 WeakPolarHBondContact O-CG 3.33Å; C86-E90 PolarHBondContact O-N 3.31Å |
| 87 | M | 88.7 | Confident | 88.6 | Confident | 65 Ų | 65 | 75.8 Ų | 75.8 | 32% | 0.32 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.1 | -42 | 176.1 | -73 | -173 | 70.1 | 0 | 0 | 112.5 | E83 V84 Y85 S91 L457 | E83-M87 HydrophobicContact CG-CG 4.3Å; E83-M87 HydrophobicContact CG-SD 4.19Å; E83-M87 WeakPolarHBondContact O-CB 3.3Å; E83-M87 WeakPolarHBondContact O-CG 3.47Å; E83-M87 PolarHBondContact O-N 3.46Å; V84-M87 PolarHBondContact O-N 3.35Å; Y85-M87 VanDerWaalsContact C-N 3.35Å; Y85-M87 PolarHBondContact O-N 3.33Å; M87-S91 VanDerWaalsContact O-CB 3.23Å; M87-S91 WeakPolarHBondContact O-CB 3.25Å; M87-S91 PolarHBondContact O-N 2.91Å; M87-S91 PolarHBondContact O-OG 3.1Å; M87-L457 HydrophobicContact SD-CD2 4.3Å |
| 88 | L | 90.3 | Very high | 88.3 | Confident | 106 Ų | 106 | 76.4 Ų | 76.4 | 56% | 0.555 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.5 | -42.1 | 175.6 | -74.3 | 170.9 | 0 | 0 | 0 | 111.5 | V84 Y85 C86 S92 | V84-L88 HydrophobicContact CG1-CD1 3.93Å; V84-L88 HydrophobicContact CG1-CG 4.39Å; V84-L88 WeakPolarHBondContact O-CB 3.37Å; V84-L88 WeakPolarHBondContact O-CG 3.31Å; V84-L88 PolarHBondContact O-N 3.36Å; Y85-L88 PolarHBondContact O-N 2.87Å; C86-L88 VanDerWaalsContact C-N 3.33Å; C86-L88 PolarHBondContact O-N 2.84Å; L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.12Å; L88-S92 PolarHBondContact O-N 3.46Å; L88-S92 PolarHBondContact O-OG 3.3Å |
| 89 | T | 89.7 | Confident | 88.1 | Confident | 27 Ų | 27 | 78 Ų | 78 | 17% | 0.166 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68.4 | -40.2 | 178.3 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | Y85 C86 S92 K93 | Y85-T89 HydrophobicContact CD1-CG2 4.13Å; Y85-T89 HydrophobicContact CD2-CG2 4.48Å; Y85-T89 HydrophobicContact CE1-CG2 3.66Å; Y85-T89 HydrophobicContact CE2-CG2 4.06Å; Y85-T89 WeakPolarHBondContact O-CG2 3.36Å; Y85-T89 PolarHBondContact O-N 3.34Å; Y85-T89 PolarHBondContact O-OG1 2.8Å; C86-T89 PolarHBondContact O-N 2.87Å; C86-T89 VanDerWaalsContact O-N 3.12Å; C86-T89 PolarHBondContact O-OG1 2.73Å; T89-S92 PolarHBondContact O-N 2.93Å; T89-K93 WeakPolarHBondContact O-CG 3.48Å; T89-K93 PolarHBondContact O-N 2.99Å |
| 90 | E | 87.7 | Confident | 87.9 | Confident | 49 Ų | 49 | 84.4 Ų | 84.4 | 23% | 0.229 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 175.2 | -74.2 | 172 | 174.2 | 0 | 0 | 111.5 | C86 S92 K93 K94 R464 | C86-E90 WeakPolarHBondContact O-CG 3.33Å; C86-E90 PolarHBondContact O-N 3.31Å; E90-S92 VanDerWaalsContact C-N 3.28Å; E90-S92 PolarHBondContact O-N 3.26Å; E90-K93 PolarHBondContact O-N 3.46Å; E90-K94 WeakPolarHBondContact O-CG 3.46Å; E90-K94 PolarHBondContact O-N 2.99Å; E90-R464 IonicContact OE1-CZ 3.6Å; E90-R464 IonicContact OE1-NH1 3.77Å; E90-R464 PolarHBondContact OE1-NH1 2.63Å; E90-R464 IonicContact OE1-NH2 2.67Å; E90-R464 IonicContact OE2-CZ 3.93Å; E90-R464 IonicContact OE2-NH1 2.78Å; E90-R464 IonicContact OE2-NH2 3.99Å; E90-R464 PolarHBondContact OE2-NH2 2.95Å; E90-R464 VanDerWaalsContact OE2-NH2 3.08Å |
| 91 | S | 82.7 | Confident | 87.7 | Confident | 68 Ų | 68 | 87.9 Ų | 87.9 | 48% | 0.476 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 175.4 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | M87 K94 L95 | M87-S91 VanDerWaalsContact O-CB 3.23Å; M87-S91 WeakPolarHBondContact O-CB 3.25Å; M87-S91 PolarHBondContact O-N 2.91Å; M87-S91 PolarHBondContact O-OG 3.1Å; S91-K94 PolarHBondContact O-N 3.09Å; S91-L95 VanDerWaalsContact O-CB 3.26Å; S91-L95 WeakPolarHBondContact O-CB 3.33Å; S91-L95 PolarHBondContact O-N 3.23Å |
| 92 | S | 84.2 | Confident | 87.4 | Confident | 75 Ų | 75 | 85.5 Ų | 85.5 | 52% | 0.524 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 176.1 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | L88 T89 E90 L95 W96 | L88-S92 VanDerWaalsContact O-CB 3.3Å; L88-S92 WeakPolarHBondContact O-CB 3.12Å; L88-S92 PolarHBondContact O-N 3.46Å; L88-S92 PolarHBondContact O-OG 3.3Å; T89-S92 PolarHBondContact O-N 2.93Å; E90-S92 VanDerWaalsContact C-N 3.28Å; E90-S92 PolarHBondContact O-N 3.26Å; S92-L95 PolarHBondContact O-N 3.48Å; S92-W96 WeakPolarHBondContact O-CB 3.24Å; S92-W96 PolarHBondContact O-N 3.34Å |
| 93 | K | 87.5 | Confident | 87.2 | Confident | 104 Ų | 104 | 87.2 Ų | 87.2 | 45% | 0.452 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 175.3 | -71.9 | 169.9 | -176.4 | 173.6 | 0 | 111.8 | C5 T89 E90 W96 H97 | C5-K93 PolarHBondContact O-NZ 2.94Å; T89-K93 WeakPolarHBondContact O-CG 3.48Å; T89-K93 PolarHBondContact O-N 2.99Å; E90-K93 PolarHBondContact O-N 3.46Å; K93-W96 WeakPolarHBondContact O-CB 3.37Å; K93-W96 PolarHBondContact O-N 3.49Å; K93-H97 PolarHBondContact O-N 3.37Å |
| 94 | K | 84.3 | Confident | 87.2 | Confident | 151 Ų | 151 | 92.2 Ų | 92.2 | 66% | 0.657 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64 | -41.5 | 176.9 | -73.6 | 177.9 | -179.8 | 177.9 | 0 | 112.1 | E90 S91 W96 H97 H98 | E90-K94 WeakPolarHBondContact O-CG 3.46Å; E90-K94 PolarHBondContact O-N 2.99Å; S91-K94 PolarHBondContact O-N 3.09Å; K94-W96 VanDerWaalsContact C-N 3.32Å; K94-H97 WeakPolarHBondContact O-CB 3.21Å; K94-H97 PolarHBondContact O-N 2.97Å; K94-H98 PolarHBondContact O-N 2.97Å; K94-H98 PolarHBondContact O-ND1 3.24Å; K94-H98 VanDerWaalsContact O-ND1 3.1Å |
| 95 | L | 83 | Confident | 87.1 | Confident | 113 Ų | 113 | 94.5 Ų | 94.5 | 59% | 0.592 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65 | -37.9 | 175.1 | -173.4 | 63.1 | 0 | 0 | 0 | 111.3 | S91 S92 H97 H98 R99 | S91-L95 VanDerWaalsContact O-CB 3.26Å; S91-L95 WeakPolarHBondContact O-CB 3.33Å; S91-L95 PolarHBondContact O-N 3.23Å; S92-L95 PolarHBondContact O-N 3.48Å; L95-H97 VanDerWaalsContact C-N 3.32Å; L95-H97 PolarHBondContact O-N 2.95Å; L95-H98 CarbonylContact O-C 3.55Å; L95-H98 VanDerWaalsContact O-C 3.22Å; L95-H98 WeakPolarHBondContact O-CA 3.35Å; L95-H98 PolarHBondContact O-N 3.46Å; L95-H98 VanDerWaalsContact O-N 3.11Å; L95-R99 PolarHBondContact O-N 3.42Å |
| 96 | W | 84.8 | Confident | 86.9 | Confident | 192 Ų | 192 | 95.5 Ų | 95.5 | 73% | 0.727 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.8 | -35.9 | 174.7 | -169.1 | -89.9 | 0 | 0 | 0 | 112.9 | S92 K93 K94 H98 R99 | S92-W96 WeakPolarHBondContact O-CB 3.24Å; S92-W96 PolarHBondContact O-N 3.34Å; K93-W96 WeakPolarHBondContact O-CB 3.37Å; K93-W96 PolarHBondContact O-N 3.49Å; K94-W96 VanDerWaalsContact C-N 3.32Å; W96-H98 PolarHBondContact O-N 3.34Å; W96-R99 WeakPolarHBondContact O-CB 3.22Å; W96-R99 PolarHBondContact O-N 3.13Å; W96-R99 VanDerWaalsContact O-N 3.07Å |
| 97 | H | 84 | Confident | 87 | Confident | 158 Ų | 158 | 99.3 Ų | 99.3 | 73% | 0.731 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.9 | -34.7 | 173.9 | -161.9 | 58.7 | 0 | 0 | 0 | 111.6 | K93 K94 L95 R99 | K93-H97 PolarHBondContact O-N 3.37Å; K94-H97 WeakPolarHBondContact O-CB 3.21Å; K94-H97 PolarHBondContact O-N 2.97Å; L95-H97 VanDerWaalsContact C-N 3.32Å; L95-H97 PolarHBondContact O-N 2.95Å; H97-R99 VanDerWaalsContact C-N 3.33Å; H97-R99 PolarHBondContact O-N 3.36Å |
| 98 | H | 84.4 | Confident | 87.2 | Confident | 109 Ų | 109 | 100.7 Ų | 100.7 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 28 | 175.1 | -62.1 | 84.8 | 0 | 0 | 0 | 112.9 | K94 L95 W96 Y100 V101 G102 | K94-H98 PolarHBondContact O-N 2.97Å; K94-H98 PolarHBondContact O-ND1 3.24Å; K94-H98 VanDerWaalsContact O-ND1 3.1Å; L95-H98 CarbonylContact O-C 3.55Å; L95-H98 VanDerWaalsContact O-C 3.22Å; L95-H98 WeakPolarHBondContact O-CA 3.35Å; L95-H98 PolarHBondContact O-N 3.46Å; L95-H98 VanDerWaalsContact O-N 3.11Å; W96-H98 PolarHBondContact O-N 3.34Å; H98-Y100 PolarHBondContact O-N 3.47Å; H98-V101 HydrophobicContact CB-CB 4.37Å; H98-V101 WeakPolarHBondContact O-CA 3.33Å; H98-V101 WeakPolarHBondContact O-CB 3.41Å; H98-V101 PolarHBondContact O-N 3.45Å; H98-G102 PolarHBondContact O-N 3.05Å |
| 99 | R | 87.3 | Confident | 87.1 | Confident | 126 Ų | 126 | 97.5 Ų | 97.5 | 48% | 0.475 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -52.6 | -33.4 | -172.9 | 62.9 | -177.7 | -176.1 | 107.8 | -2.7 | 114.7 | L95 W96 H97 A103 | L95-R99 PolarHBondContact O-N 3.42Å; W96-R99 WeakPolarHBondContact O-CB 3.22Å; W96-R99 PolarHBondContact O-N 3.13Å; W96-R99 VanDerWaalsContact O-N 3.07Å; H97-R99 VanDerWaalsContact C-N 3.33Å; H97-R99 PolarHBondContact O-N 3.36Å; R99-A103 WeakPolarHBondContact O-CB 3.41Å; R99-A103 PolarHBondContact O-N 2.96Å |
| 100 | Y | 87 | Confident | 87.1 | Confident | 165 Ų | 165 | 102.3 Ų | 102.3 | 65% | 0.647 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.9 | -37.7 | 178 | -65.2 | -65.4 | 0 | 0 | 0 | 112.1 | H98 A103 L104 | H98-Y100 PolarHBondContact O-N 3.47Å; Y100-A103 PolarHBondContact O-N 2.81Å; Y100-L104 VanDerWaalsContact O-CB 3.27Å; Y100-L104 WeakPolarHBondContact O-CB 3.2Å; Y100-L104 PolarHBondContact O-N 3.36Å |
| 101 | V | 86.3 | Confident | 87.3 | Confident | 81 Ų | 81 | 104.7 Ų | 104.7 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.7 | -45.4 | 173.8 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | H98 A103 L104 L105 | H98-V101 HydrophobicContact CB-CB 4.37Å; H98-V101 WeakPolarHBondContact O-CA 3.33Å; H98-V101 WeakPolarHBondContact O-CB 3.41Å; H98-V101 PolarHBondContact O-N 3.45Å; V101-A103 PolarHBondContact O-N 3.34Å; V101-L104 PolarHBondContact O-N 2.9Å; V101-L105 HydrophobicContact CG1-CD1 4.21Å; V101-L105 WeakPolarHBondContact O-CB 3.4Å; V101-L105 VanDerWaalsContact O-CG 3.31Å; V101-L105 WeakPolarHBondContact O-CG 3.23Å; V101-L105 PolarHBondContact O-N 3.07Å |
| 102 | G | 85.2 | Confident | 87.5 | Confident | 16 Ų | 16 | 107.5 Ų | 107.5 | 17% | 0.165 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H98 L105 L106 | H98-G102 PolarHBondContact O-N 3.05Å; G102-L105 PolarHBondContact O-N 2.89Å; G102-L106 WeakPolarHBondContact O-CB 3.45Å; G102-L106 WeakPolarHBondContact O-CG 3.33Å; G102-L106 PolarHBondContact O-N 3.05Å |
| 103 | A | 87.9 | Confident | 87.6 | Confident | 47 Ų | 47 | 110 Ų | 110 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R99 Y100 V101 L106 V107 | R99-A103 WeakPolarHBondContact O-CB 3.41Å; R99-A103 PolarHBondContact O-N 2.96Å; Y100-A103 PolarHBondContact O-N 2.81Å; V101-A103 PolarHBondContact O-N 3.34Å; A103-L106 PolarHBondContact O-N 3.22Å; A103-V107 WeakPolarHBondContact O-CB 3.28Å; A103-V107 VanDerWaalsContact O-CG2 3.31Å; A103-V107 WeakPolarHBondContact O-CG2 3.26Å; A103-V107 PolarHBondContact O-N 3.11Å |
| 104 | L | 90.6 | Very high | 87.5 | Confident | 105 Ų | 105 | 110.1 Ų | 110.1 | 55% | 0.55 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 175 | 179.1 | 64.2 | 0 | 0 | 0 | 111.2 | Y100 V101 L106 V107 L108 | Y100-L104 VanDerWaalsContact O-CB 3.27Å; Y100-L104 WeakPolarHBondContact O-CB 3.2Å; Y100-L104 PolarHBondContact O-N 3.36Å; V101-L104 PolarHBondContact O-N 2.9Å; L104-L106 VanDerWaalsContact C-N 3.33Å; L104-L106 PolarHBondContact O-N 3.46Å; L104-V107 PolarHBondContact O-N 3.07Å; L104-L108 HydrophobicContact CD1-CD1 4.2Å; L104-L108 HydrophobicContact CD1-CG 4.36Å; L104-L108 HydrophobicContact CG-CD1 3.96Å; L104-L108 WeakPolarHBondContact O-CB 3.37Å; L104-L108 VanDerWaalsContact O-CG 3.25Å; L104-L108 WeakPolarHBondContact O-CG 3.45Å; L104-L108 PolarHBondContact O-N 3.11Å |
| 105 | L | 89.2 | Confident | 87.5 | Confident | 112 Ų | 112 | 106.5 Ų | 106.5 | 59% | 0.586 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -37.8 | 176.5 | -70.7 | 174 | 0 | 0 | 0 | 112.2 | V101 G102 G109 | V101-L105 HydrophobicContact CG1-CD1 4.21Å; V101-L105 WeakPolarHBondContact O-CB 3.4Å; V101-L105 VanDerWaalsContact O-CG 3.31Å; V101-L105 WeakPolarHBondContact O-CG 3.23Å; V101-L105 PolarHBondContact O-N 3.07Å; G102-L105 PolarHBondContact O-N 2.89Å; L105-G109 PolarHBondContact O-N 3.2Å |
| 106 | L | 89.7 | Confident | 87.3 | Confident | 132 Ų | 132 | 102.4 Ų | 102.4 | 69% | 0.691 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.7 | -43.3 | 174.6 | -75.4 | 173 | 0 | 0 | 0 | 112.2 | G102 A103 L104 G109 F110 | G102-L106 WeakPolarHBondContact O-CB 3.45Å; G102-L106 WeakPolarHBondContact O-CG 3.33Å; G102-L106 PolarHBondContact O-N 3.05Å; A103-L106 PolarHBondContact O-N 3.22Å; L104-L106 VanDerWaalsContact C-N 3.33Å; L104-L106 PolarHBondContact O-N 3.46Å; L106-G109 PolarHBondContact O-N 3.34Å; L106-F110 VanDerWaalsContact O-CB 3.3Å; L106-F110 WeakPolarHBondContact O-CB 3.46Å; L106-F110 PolarHBondContact O-N 3.25Å |
| 107 | V | 92.2 | Very high | 87.2 | Confident | 85 Ų | 85 | 101.6 Ų | 101.6 | 52% | 0.515 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 175.7 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | A103 L104 F110 L111 | A103-V107 WeakPolarHBondContact O-CB 3.28Å; A103-V107 VanDerWaalsContact O-CG2 3.31Å; A103-V107 WeakPolarHBondContact O-CG2 3.26Å; A103-V107 PolarHBondContact O-N 3.11Å; L104-V107 PolarHBondContact O-N 3.07Å; V107-F110 PolarHBondContact O-N 3.39Å; V107-L111 HydrophobicContact CG1-CD1 3.85Å; V107-L111 WeakPolarHBondContact O-CB 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.32Å; V107-L111 PolarHBondContact O-N 3.32Å |
| 108 | L | 92.5 | Very high | 87.1 | Confident | 93 Ų | 93 | 99 Ų | 99 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 174.7 | -72.4 | 168.5 | 0 | 0 | 0 | 111.9 | L104 L111 F112 | L104-L108 HydrophobicContact CD1-CD1 4.2Å; L104-L108 HydrophobicContact CD1-CG 4.36Å; L104-L108 HydrophobicContact CG-CD1 3.96Å; L104-L108 WeakPolarHBondContact O-CB 3.37Å; L104-L108 VanDerWaalsContact O-CG 3.25Å; L104-L108 WeakPolarHBondContact O-CG 3.45Å; L104-L108 PolarHBondContact O-N 3.11Å; L108-L111 PolarHBondContact O-N 2.83Å; L108-F112 VanDerWaalsContact O-CB 3.26Å; L108-F112 WeakPolarHBondContact O-CB 3.41Å; L108-F112 PolarHBondContact O-N 3.06Å |
| 109 | G | 89 | Confident | 86.9 | Confident | 39 Ų | 39 | 99.9 Ų | 99.9 | 40% | 0.402 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L105 L106 Y113 | L105-G109 PolarHBondContact O-N 3.2Å; L106-G109 PolarHBondContact O-N 3.34Å; G109-Y113 WeakPolarHBondContact O-CB 3.18Å; G109-Y113 PolarHBondContact O-N 3.06Å |
| 110 | F | 90.8 | Very high | 86.6 | Confident | 129 Ų | 129 | 95.6 Ų | 95.6 | 57% | 0.566 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.8 | -45.6 | 174.7 | -171.6 | -96.3 | 0 | 0 | 0 | 111.5 | L106 V107 F112 Y113 F114 | L106-F110 VanDerWaalsContact O-CB 3.3Å; L106-F110 WeakPolarHBondContact O-CB 3.46Å; L106-F110 PolarHBondContact O-N 3.25Å; V107-F110 PolarHBondContact O-N 3.39Å; F110-F112 VanDerWaalsContact C-N 3.3Å; F110-F112 PolarHBondContact O-N 3.31Å; F110-Y113 WeakPolarHBondContact O-CB 3.5Å; F110-Y113 PolarHBondContact O-N 2.86Å; F110-F114 AromaticContact CD1-CD2 3.66Å; F110-F114 HydrophobicContact CD1-CD2 3.66Å; F110-F114 AromaticContact CD1-CE2 3.81Å; F110-F114 HydrophobicContact CD1-CE2 3.81Å; F110-F114 HydrophobicContact CD2-CD2 4.3Å; F110-F114 HydrophobicContact CD2-CE2 4.04Å; F110-F114 AromaticContact CE1-CD2 3.45Å; F110-F114 HydrophobicContact CE1-CD2 3.45Å; F110-F114 VanDerWaalsContact CE1-CD2 3.45Å; F110-F114 AromaticContact CE1-CE2 3.16Å; F110-F114 HydrophobicContact CE1-CE2 3.16Å; F110-F114 HydrophobicContact CE1-CG 4.45Å; F110-F114 AromaticContact CE1-CZ 3.89Å; F110-F114 HydrophobicContact CE1-CZ 3.89Å; F110-F114 HydrophobicContact CE2-CD2 4.13Å; F110-F114 AromaticContact CE2-CE2 3.44Å; F110-F114 HydrophobicContact CE2-CE2 3.44Å; F110-F114 VanDerWaalsContact CE2-CE2 3.44Å; F110-F114 HydrophobicContact CE2-CZ 4.38Å; F110-F114 HydrophobicContact CG-CD2 4.11Å; F110-F114 HydrophobicContact CG-CE2 4.24Å; F110-F114 AromaticContact CZ-CD2 3.75Å; F110-F114 HydrophobicContact CZ-CD2 3.75Å; F110-F114 AromaticContact CZ-CE2 2.98Å; F110-F114 HydrophobicContact CZ-CE2 2.98Å; F110-F114 AromaticContact CZ-CZ 3.65Å; F110-F114 HydrophobicContact CZ-CZ 3.65Å; F110-F114 WeakPolarHBondContact O-CD2 3.41Å; F110-F114 PolarHBondContact O-N 3.39Å |
| 111 | L | 89.9 | Confident | 86.3 | Confident | 98 Ų | 98 | 96.4 Ų | 96.4 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -55.9 | -46.2 | 171.9 | -85.9 | 156 | 0 | 0 | 0 | 111.2 | V107 L108 F114 V115 | V107-L111 HydrophobicContact CG1-CD1 3.85Å; V107-L111 WeakPolarHBondContact O-CB 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.32Å; V107-L111 PolarHBondContact O-N 3.32Å; L108-L111 PolarHBondContact O-N 2.83Å; L111-F114 PolarHBondContact O-N 3.31Å; L111-V115 VanDerWaalsContact O-CG2 3.28Å; L111-V115 WeakPolarHBondContact O-CG2 3.44Å; L111-V115 PolarHBondContact O-N 3.24Å |
| 112 | F | 87.2 | Confident | 86.1 | Confident | 127 Ų | 127 | 95.8 Ų | 95.8 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.4 | -46.5 | 175.5 | -179.1 | -101.9 | 0 | 0 | 0 | 111.8 | L108 F110 F114 V115 C116 | L108-F112 VanDerWaalsContact O-CB 3.26Å; L108-F112 WeakPolarHBondContact O-CB 3.41Å; L108-F112 PolarHBondContact O-N 3.06Å; F110-F112 VanDerWaalsContact C-N 3.3Å; F110-F112 PolarHBondContact O-N 3.31Å; F112-F114 VanDerWaalsContact C-N 3.32Å; F112-F114 PolarHBondContact O-N 2.98Å; F112-V115 PolarHBondContact O-N 2.89Å; F112-C116 VanDerWaalsContact CE1-SG 3.6Å; F112-C116 VanDerWaalsContact CZ-SG 3.53Å; F112-C116 WeakPolarHBondContact O-CB 3.3Å; F112-C116 PolarHBondContact O-N 3.32Å; F112-C116 PolarHBondContact O-SG 3.49Å |
| 113 | Y | 86.6 | Confident | 85.8 | Confident | 129 Ų | 129 | 99.1 Ų | 99.1 | 51% | 0.506 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 175.2 | 176.5 | -97.3 | 0 | 0 | 0 | 112.1 | G109 F110 C116 R117 | G109-Y113 WeakPolarHBondContact O-CB 3.18Å; G109-Y113 PolarHBondContact O-N 3.06Å; F110-Y113 WeakPolarHBondContact O-CB 3.5Å; F110-Y113 PolarHBondContact O-N 2.86Å; Y113-C116 PolarHBondContact O-N 2.96Å; Y113-R117 HydrophobicContact CD1-CG 4.37Å; Y113-R117 HydrophobicContact CE1-CG 3.96Å; Y113-R117 HydrophobicContact CE2-CG 4.13Å; Y113-R117 VanDerWaalsContact O-CG 3.23Å; Y113-R117 WeakPolarHBondContact O-CG 3.32Å; Y113-R117 PolarHBondContact O-N 3.19Å; Y113-R117 VanDerWaalsContact O-N 3.11Å |
| 114 | F | 85.7 | Confident | 85.3 | Confident | 105 Ų | 105 | 104.6 Ų | 104.6 | 46% | 0.461 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 176.1 | -93.4 | -96.7 | 0 | 0 | 0 | 112.1 | F110 L111 F112 C116 R117 L118 | F110-F114 AromaticContact CD1-CD2 3.66Å; F110-F114 HydrophobicContact CD1-CD2 3.66Å; F110-F114 AromaticContact CD1-CE2 3.81Å; F110-F114 HydrophobicContact CD1-CE2 3.81Å; F110-F114 HydrophobicContact CD2-CD2 4.3Å; F110-F114 HydrophobicContact CD2-CE2 4.04Å; F110-F114 AromaticContact CE1-CD2 3.45Å; F110-F114 HydrophobicContact CE1-CD2 3.45Å; F110-F114 VanDerWaalsContact CE1-CD2 3.45Å; F110-F114 AromaticContact CE1-CE2 3.16Å; F110-F114 HydrophobicContact CE1-CE2 3.16Å; F110-F114 HydrophobicContact CE1-CG 4.45Å; F110-F114 AromaticContact CE1-CZ 3.89Å; F110-F114 HydrophobicContact CE1-CZ 3.89Å; F110-F114 HydrophobicContact CE2-CD2 4.13Å; F110-F114 AromaticContact CE2-CE2 3.44Å; F110-F114 HydrophobicContact CE2-CE2 3.44Å; F110-F114 VanDerWaalsContact CE2-CE2 3.44Å; F110-F114 HydrophobicContact CE2-CZ 4.38Å; F110-F114 HydrophobicContact CG-CD2 4.11Å; F110-F114 HydrophobicContact CG-CE2 4.24Å; F110-F114 AromaticContact CZ-CD2 3.75Å; F110-F114 HydrophobicContact CZ-CD2 3.75Å; F110-F114 AromaticContact CZ-CE2 2.98Å; F110-F114 HydrophobicContact CZ-CE2 2.98Å; F110-F114 AromaticContact CZ-CZ 3.65Å; F110-F114 HydrophobicContact CZ-CZ 3.65Å; F110-F114 WeakPolarHBondContact O-CD2 3.41Å; F110-F114 PolarHBondContact O-N 3.39Å; L111-F114 PolarHBondContact O-N 3.31Å; F112-F114 VanDerWaalsContact C-N 3.32Å; F112-F114 PolarHBondContact O-N 2.98Å; F114-C116 VanDerWaalsContact C-N 3.28Å; F114-C116 PolarHBondContact O-N 3.49Å; F114-R117 PolarHBondContact O-N 2.99Å; F114-L118 WeakPolarHBondContact O-CG 3.31Å; F114-L118 PolarHBondContact O-N 3.32Å; F114-L118 VanDerWaalsContact O-N 3.11Å |
| 115 | V | 83.5 | Confident | 84.8 | Confident | 75 Ų | 75 | 104.4 Ų | 104.4 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.1 | -44.2 | 173.9 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | L111 F112 R117 L118 H122 | L111-V115 VanDerWaalsContact O-CG2 3.28Å; L111-V115 WeakPolarHBondContact O-CG2 3.44Å; L111-V115 PolarHBondContact O-N 3.24Å; F112-V115 PolarHBondContact O-N 2.89Å; V115-R117 PolarHBondContact O-N 2.9Å; V115-L118 PolarHBondContact O-N 2.88Å; V115-H122 PolarHBondContact O-NE2 2.84Å |
| 116 | C | 80.1 | Confident | 84.5 | Confident | 28 Ų | 28 | 100.8 Ų | 100.8 | 19% | 0.189 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -68.9 | -14.1 | 177.8 | -66 | 0 | 0 | 0 | 0 | 115.1 | F112 Y113 F114 Q123 L126 | F112-C116 VanDerWaalsContact CE1-SG 3.6Å; F112-C116 VanDerWaalsContact CZ-SG 3.53Å; F112-C116 WeakPolarHBondContact O-CB 3.3Å; F112-C116 PolarHBondContact O-N 3.32Å; F112-C116 PolarHBondContact O-SG 3.49Å; Y113-C116 PolarHBondContact O-N 2.96Å; F114-C116 VanDerWaalsContact C-N 3.28Å; F114-C116 PolarHBondContact O-N 3.49Å; C116-Q123 PolarHBondContact O-OE1 2.88Å; C116-L126 HydrophobicContact CB-CD1 3.93Å |
| 117 | R | 82.2 | Confident | 84.1 | Confident | 175 Ų | 175 | 101.9 Ų | 101.9 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -101.4 | -13.2 | 178.3 | -66.8 | -73.6 | -84.5 | 141 | -4.8 | 112.9 | Y113 F114 V115 | Y113-R117 HydrophobicContact CD1-CG 4.37Å; Y113-R117 HydrophobicContact CE1-CG 3.96Å; Y113-R117 HydrophobicContact CE2-CG 4.13Å; Y113-R117 VanDerWaalsContact O-CG 3.23Å; Y113-R117 WeakPolarHBondContact O-CG 3.32Å; Y113-R117 PolarHBondContact O-N 3.19Å; Y113-R117 VanDerWaalsContact O-N 3.11Å; F114-R117 PolarHBondContact O-N 2.99Å; V115-R117 PolarHBondContact O-N 2.9Å |
| 118 | L | 82.4 | Confident | 83.5 | Confident | 104 Ų | 104 | 100.4 Ų | 100.4 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -71.9 | 125.1 | 175.6 | -76.5 | 166.8 | 0 | 0 | 0 | 109.6 | F114 V115 G120 H122 | F114-L118 WeakPolarHBondContact O-CG 3.31Å; F114-L118 PolarHBondContact O-N 3.32Å; F114-L118 VanDerWaalsContact O-N 3.11Å; V115-L118 PolarHBondContact O-N 2.88Å; L118-G120 PolarHBondContact O-N 2.93Å; L118-H122 PolarHBondContact O-CE1 3.43Å; L118-H122 PolarHBondContact O-NE2 3.24Å |
| 119 | P | 80.4 | Confident | 83.2 | Confident | 127 Ų | 127 | 100 Ų | 100 | 83% | 0.825 | 50% | 0.504 | S | S | * | . | trans | -65.6 | 128.3 | 176.3 | 26.9 | -32.9 | 0 | 0 | 0 | 110.1 | ||||
| 120 | G | 81.2 | Confident | 83 | Confident | 36 Ų | 36 | 103.5 Ų | 103.5 | 37% | 0.371 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -175.4 | 176.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L118 H122 Q123 | L118-G120 PolarHBondContact O-N 2.93Å; G120-H122 PolarHBondContact O-N 2.96Å; G120-H122 VanDerWaalsContact O-N 3.11Å; G120-Q123 VanDerWaalsContact O-CB 3.27Å; G120-Q123 WeakPolarHBondContact O-CB 3.41Å; G120-Q123 PolarHBondContact O-N 3.25Å |
| 121 | Q | 79 | Confident | 82.6 | Confident | 182 Ų | 182 | 103.1 Ų | 103.1 | 85% | 0.85 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -26.7 | 178.4 | -67.2 | -177.8 | -11.8 | 0 | 0 | 112.7 | Q123 | Q121-Q123 PolarHBondContact O-N 3.24Š|
| 122 | H | 82 | Confident | 82.4 | Confident | 67 Ų | 67 | 104.3 Ų | 104.3 | 31% | 0.31 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -20.6 | 176.3 | 67.1 | -83.1 | 0 | 0 | 0 | 113.2 | V115 L118 G120 Q124 V125 L126 | V115-H122 PolarHBondContact O-NE2 2.84Å; L118-H122 PolarHBondContact O-CE1 3.43Å; L118-H122 PolarHBondContact O-NE2 3.24Å; G120-H122 PolarHBondContact O-N 2.96Å; G120-H122 VanDerWaalsContact O-N 3.11Å; H122-Q124 VanDerWaalsContact C-N 3.32Å; H122-Q124 PolarHBondContact O-N 3.4Å; H122-V125 PolarHBondContact O-N 3.49Å; H122-V125 VanDerWaalsContact O-N 3.13Å; H122-L126 WeakPolarHBondContact O-CB 3.42Å; H122-L126 WeakPolarHBondContact O-CG 3.45Å; H122-L126 PolarHBondContact O-N 3.46Å |
| 123 | Q | 79 | Confident | 82.4 | Confident | 87 Ų | 87 | 103 Ų | 103 | 41% | 0.407 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 179.8 | -168.6 | 67.5 | -2.2 | 0 | 0 | 112.3 | C116 G120 Q121 V125 L126 Y127 | C116-Q123 PolarHBondContact O-OE1 2.88Å; G120-Q123 VanDerWaalsContact O-CB 3.27Å; G120-Q123 WeakPolarHBondContact O-CB 3.41Å; G120-Q123 PolarHBondContact O-N 3.25Å; Q121-Q123 PolarHBondContact O-N 3.24Å; Q123-V125 VanDerWaalsContact C-N 3.34Å; Q123-L126 PolarHBondContact O-N 3.02Å; Q123-Y127 WeakPolarHBondContact O-CB 3.36Å; Q123-Y127 PolarHBondContact O-N 3.5Å |
| 124 | Q | 77.7 | Confident | 82.5 | Confident | 162 Ų | 162 | 102.2 Ų | 102.2 | 76% | 0.757 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.8 | -39.8 | 175.1 | -68.7 | -179.3 | -7.1 | 0 | 0 | 111.3 | H122 S128 | H122-Q124 VanDerWaalsContact C-N 3.32Å; H122-Q124 PolarHBondContact O-N 3.4Å; Q124-S128 WeakPolarHBondContact O-CB 3.46Å; Q124-S128 PolarHBondContact O-N 3.43Å; Q124-S128 VanDerWaalsContact O-N 3.07Å |
| 125 | V | 81.2 | Confident | 82.6 | Confident | 101 Ų | 101 | 100 Ų | 100 | 61% | 0.612 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.5 | -44.2 | 176.7 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | H122 Q123 S128 L129 | H122-V125 PolarHBondContact O-N 3.49Å; H122-V125 VanDerWaalsContact O-N 3.13Å; Q123-V125 VanDerWaalsContact C-N 3.34Å; V125-S128 PolarHBondContact O-N 2.94Å; V125-L129 VanDerWaalsContact O-CB 3.25Å; V125-L129 WeakPolarHBondContact O-CB 3.34Å; V125-L129 PolarHBondContact O-N 3.36Å |
| 126 | L | 82.9 | Confident | 83 | Confident | 35 Ų | 35 | 97.4 Ų | 97.4 | 18% | 0.183 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -61.2 | -47 | 176.9 | -79.2 | 175.9 | 0 | 0 | 0 | 111.7 | C116 H122 Q123 S128 L129 E130 | C116-L126 HydrophobicContact CB-CD1 3.93Å; H122-L126 WeakPolarHBondContact O-CB 3.42Å; H122-L126 WeakPolarHBondContact O-CG 3.45Å; H122-L126 PolarHBondContact O-N 3.46Å; Q123-L126 PolarHBondContact O-N 3.02Å; L126-S128 VanDerWaalsContact C-N 3.34Å; L126-S128 PolarHBondContact O-N 3.22Å; L126-L129 CarbonylContact O-C 3.59Å; L126-L129 PolarHBondContact O-N 3.27Å; L126-E130 VanDerWaalsContact O-CB 3.3Å; L126-E130 WeakPolarHBondContact O-CB 3.28Å; L126-E130 PolarHBondContact O-N 3.07Å |
| 127 | Y | 81.1 | Confident | 83.6 | Confident | 156 Ų | 156 | 98 Ų | 98 | 61% | 0.612 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.9 | -42.1 | 178.1 | -177.7 | -104.9 | 0 | 0 | 0 | 111.7 | Q123 L129 K131 | Q123-Y127 WeakPolarHBondContact O-CB 3.36Å; Q123-Y127 PolarHBondContact O-N 3.5Å; Y127-L129 VanDerWaalsContact C-N 3.33Å; Y127-L129 PolarHBondContact O-N 2.86Å; Y127-K131 WeakPolarHBondContact O-CB 3.48Å; Y127-K131 PolarHBondContact O-N 3.22Å |
| 128 | S | 80.1 | Confident | 84 | Confident | 53 Ų | 53 | 95.1 Ų | 95.1 | 37% | 0.371 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 174.4 | -168.3 | 0 | 0 | 0 | 0 | 112.1 | Q124 V125 L126 K132 | Q124-S128 WeakPolarHBondContact O-CB 3.46Å; Q124-S128 PolarHBondContact O-N 3.43Å; Q124-S128 VanDerWaalsContact O-N 3.07Å; V125-S128 PolarHBondContact O-N 2.94Å; L126-S128 VanDerWaalsContact C-N 3.34Å; L126-S128 PolarHBondContact O-N 3.22Å; S128-K132 WeakPolarHBondContact O-CB 3.33Å; S128-K132 VanDerWaalsContact O-CG 3.28Å; S128-K132 WeakPolarHBondContact O-CG 3.27Å; S128-K132 PolarHBondContact O-N 3.35Å; S128-K132 VanDerWaalsContact O-N 3.09Å |
| 129 | L | 85.3 | Confident | 84.4 | Confident | 84 Ų | 84 | 90.6 Ų | 90.6 | 44% | 0.44 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69 | -46.7 | 177.7 | -177.5 | 66.6 | 0 | 0 | 0 | 111.4 | V125 L126 Y127 K132 L133 | V125-L129 VanDerWaalsContact O-CB 3.25Å; V125-L129 WeakPolarHBondContact O-CB 3.34Å; V125-L129 PolarHBondContact O-N 3.36Å; L126-L129 CarbonylContact O-C 3.59Å; L126-L129 PolarHBondContact O-N 3.27Å; Y127-L129 VanDerWaalsContact C-N 3.33Å; Y127-L129 PolarHBondContact O-N 2.86Å; L129-K132 CarbonylContact O-C 3.52Å; L129-K132 PolarHBondContact O-N 3.04Å; L129-L133 HydrophobicContact CD1-CD1 4.11Å; L129-L133 HydrophobicContact CD1-CG 4.02Å; L129-L133 HydrophobicContact CD2-CD1 4.26Å; L129-L133 HydrophobicContact CG-CD1 3.76Å; L129-L133 HydrophobicContact CG-CG 4.08Å; L129-L133 VanDerWaalsContact O-CB 3.3Å; L129-L133 WeakPolarHBondContact O-CB 3.45Å; L129-L133 VanDerWaalsContact O-CG 3.24Å; L129-L133 WeakPolarHBondContact O-CG 3.46Å; L129-L133 PolarHBondContact O-N 3.14Å |
| 130 | E | 84.7 | Confident | 85 | Confident | 114 Ų | 114 | 87.1 Ų | 87.1 | 53% | 0.533 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.4 | -50.4 | 177.1 | -179.6 | -179 | -177.4 | 0 | 0 | 110.5 | L126 K132 L133 L134 | L126-E130 VanDerWaalsContact O-CB 3.3Å; L126-E130 WeakPolarHBondContact O-CB 3.28Å; L126-E130 PolarHBondContact O-N 3.07Å; E130-K132 VanDerWaalsContact C-N 3.32Å; E130-K132 PolarHBondContact O-N 3.49Å; E130-L133 PolarHBondContact O-N 2.9Å; E130-L134 HydrophobicContact CG-CD1 3.92Å; E130-L134 HydrophobicContact CG-CG 4.42Å; E130-L134 WeakPolarHBondContact O-CB 3.31Å; E130-L134 WeakPolarHBondContact O-CG 3.4Å; E130-L134 PolarHBondContact O-N 3.4Å |
| 131 | K | 82.5 | Confident | 85.4 | Confident | 120 Ų | 120 | 90 Ų | 90 | 52% | 0.522 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -56.8 | -46.3 | 176.3 | -172.9 | 177.1 | 178.6 | 179.6 | 0 | 111.3 | Y127 W135 | Y127-K131 WeakPolarHBondContact O-CB 3.48Å; Y127-K131 PolarHBondContact O-N 3.22Å; K131-W135 VanDerWaalsContact O-CB 3.24Å; K131-W135 WeakPolarHBondContact O-CB 3.36Å; K131-W135 PolarHBondContact O-N 2.88Å |
| 132 | K | 84.9 | Confident | 85.8 | Confident | 123 Ų | 123 | 82.3 Ų | 82.3 | 54% | 0.535 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 177.7 | -76.1 | 176.5 | -178.9 | 175.5 | 0 | 113 | S128 L129 E130 W135 C136 | S128-K132 WeakPolarHBondContact O-CB 3.33Å; S128-K132 VanDerWaalsContact O-CG 3.28Å; S128-K132 WeakPolarHBondContact O-CG 3.27Å; S128-K132 PolarHBondContact O-N 3.35Å; S128-K132 VanDerWaalsContact O-N 3.09Å; L129-K132 CarbonylContact O-C 3.52Å; L129-K132 PolarHBondContact O-N 3.04Å; E130-K132 VanDerWaalsContact C-N 3.32Å; E130-K132 PolarHBondContact O-N 3.49Å; K132-W135 PolarHBondContact O-N 3.01Å; K132-C136 WeakPolarHBondContact O-CB 3.39Å; K132-C136 PolarHBondContact O-N 3.42Å; K132-C136 PolarHBondContact O-SG 2.9Å |
| 133 | L | 88.5 | Confident | 86.1 | Confident | 101 Ų | 101 | 79.1 Ų | 79.1 | 53% | 0.529 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.2 | -44.4 | 179.9 | -75.8 | 178.1 | 0 | 0 | 0 | 111.2 | L129 E130 W135 C136 A137 | L129-L133 HydrophobicContact CD1-CD1 4.11Å; L129-L133 HydrophobicContact CD1-CG 4.02Å; L129-L133 HydrophobicContact CD2-CD1 4.26Å; L129-L133 HydrophobicContact CG-CD1 3.76Å; L129-L133 HydrophobicContact CG-CG 4.08Å; L129-L133 VanDerWaalsContact O-CB 3.3Å; L129-L133 WeakPolarHBondContact O-CB 3.45Å; L129-L133 VanDerWaalsContact O-CG 3.24Å; L129-L133 WeakPolarHBondContact O-CG 3.46Å; L129-L133 PolarHBondContact O-N 3.14Å; E130-L133 PolarHBondContact O-N 2.9Å; L133-W135 VanDerWaalsContact C-N 3.3Å; L133-W135 PolarHBondContact O-N 3.07Å; L133-C136 PolarHBondContact O-N 3.13Å; L133-A137 WeakPolarHBondContact O-CB 3.4Å; L133-A137 PolarHBondContact O-N 3.24Å |
| 134 | L | 88.4 | Confident | 86.5 | Confident | 111 Ų | 111 | 76.6 Ų | 76.6 | 58% | 0.581 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.8 | -40.8 | 174 | -72.7 | 173.2 | 0 | 0 | 0 | 111 | E130 A137 Y138 | E130-L134 HydrophobicContact CG-CD1 3.92Å; E130-L134 HydrophobicContact CG-CG 4.42Å; E130-L134 WeakPolarHBondContact O-CB 3.31Å; E130-L134 WeakPolarHBondContact O-CG 3.4Å; E130-L134 PolarHBondContact O-N 3.4Å; L134-A137 PolarHBondContact O-N 3.4Å; L134-Y138 WeakPolarHBondContact O-CB 3.43Å; L134-Y138 PolarHBondContact O-N 2.79Å |
| 135 | W | 88.5 | Confident | 86.7 | Confident | 59 Ų | 59 | 73.5 Ų | 73.5 | 22% | 0.223 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 174.4 | -170.3 | -113.2 | 0 | 0 | 0 | 112.3 | K131 K132 L133 A137 Y138 W139 P183 E257 | K131-W135 VanDerWaalsContact O-CB 3.24Å; K131-W135 WeakPolarHBondContact O-CB 3.36Å; K131-W135 PolarHBondContact O-N 2.88Å; K132-W135 PolarHBondContact O-N 3.01Å; L133-W135 VanDerWaalsContact C-N 3.3Å; L133-W135 PolarHBondContact O-N 3.07Å; W135-A137 PolarHBondContact O-N 2.76Å; W135-Y138 WeakPolarHBondContact O-CB 3.19Å; W135-Y138 PolarHBondContact O-N 3.06Å; W135-W139 AromaticContact CD1-CD1 4Å; W135-W139 AromaticContact CD2-NE1 3.88Å; W135-W139 AromaticContact CE2-CD1 3.82Å; W135-W139 AromaticContact CE2-NE1 3.24Å; W135-W139 AromaticContact CH2-NE1 3.99Å; W135-W139 HydrophobicContact CZ2-CZ2 4.42Å; W135-W139 AromaticContact CZ2-NE1 3.31Å; W135-W139 VanDerWaalsContact CZ2-NE1 3.31Å; W135-W139 AromaticContact NE1-CD1 3.76Å; W135-W139 AromaticContact NE1-NE1 3.49Å; W135-W139 VanDerWaalsContact O-CD1 3.22Å; W135-W139 PolarHBondContact O-N 2.67Å; W135-W139 VanDerWaalsContact O-N 3.14Å; W135-P183 VanDerWaalsContact CH2-O 3.25Å; W135-P183 WeakPolarHBondContact CH2-O 3.23Å; W135-E257 HydrophobicContact CZ2-CG 4.32Å; W135-E257 PolarHBondContact NE1-OE1 3.07Å |
| 136 | C | 91.7 | Very high | 86.6 | Confident | 21 Ų | 21 | 68.8 Ų | 68.8 | 14% | 0.142 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 175.2 | -73.1 | 0 | 0 | 0 | 0 | 112.2 | K132 L133 Y138 W139 L140 M260 | K132-C136 WeakPolarHBondContact O-CB 3.39Å; K132-C136 PolarHBondContact O-N 3.42Å; K132-C136 PolarHBondContact O-SG 2.9Å; L133-C136 PolarHBondContact O-N 3.13Å; C136-Y138 VanDerWaalsContact C-N 3.33Å; C136-Y138 PolarHBondContact O-N 3.46Å; C136-W139 PolarHBondContact O-N 3.27Å; C136-L140 VanDerWaalsContact O-CB 3.3Å; C136-L140 WeakPolarHBondContact O-CB 3.37Å; C136-L140 PolarHBondContact O-N 3.17Å; C136-M260 HydrophobicContact CB-CG 3.91Å; C136-M260 HydrophobicContact CB-SD 3.98Å |
| 137 | A | 91.8 | Very high | 86.3 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 34% | 0.339 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L133 L134 W135 L140 I141 | L133-A137 WeakPolarHBondContact O-CB 3.4Å; L133-A137 PolarHBondContact O-N 3.24Å; L134-A137 PolarHBondContact O-N 3.4Å; W135-A137 PolarHBondContact O-N 2.76Å; A137-L140 PolarHBondContact O-N 3.29Å; A137-I141 WeakPolarHBondContact O-CB 3.33Å; A137-I141 WeakPolarHBondContact O-CG1 3.23Å; A137-I141 PolarHBondContact O-N 3.11Å |
| 138 | Y | 90.8 | Very high | 85.6 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 45% | 0.447 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57 | -51.9 | 173.7 | 174.2 | -101.3 | 0 | 0 | 0 | 111.6 | L134 W135 C136 L140 I141 L142 | L134-Y138 WeakPolarHBondContact O-CB 3.43Å; L134-Y138 PolarHBondContact O-N 2.79Å; W135-Y138 WeakPolarHBondContact O-CB 3.19Å; W135-Y138 PolarHBondContact O-N 3.06Å; C136-Y138 VanDerWaalsContact C-N 3.33Å; C136-Y138 PolarHBondContact O-N 3.46Å; Y138-L140 PolarHBondContact O-N 3.2Å; Y138-I141 PolarHBondContact O-N 3.34Å; Y138-L142 HydrophobicContact CD1-CD1 3.98Å; Y138-L142 HydrophobicContact CE1-CD1 3.37Å; Y138-L142 HydrophobicContact CE1-CG 4.28Å; Y138-L142 HydrophobicContact CE2-CD1 4.09Å; Y138-L142 HydrophobicContact CE2-CG 4.26Å; Y138-L142 VanDerWaalsContact CZ-CD1 3.44Å; Y138-L142 WeakPolarHBondContact O-CB 3.34Å; Y138-L142 WeakPolarHBondContact O-CG 3.25Å; Y138-L142 PolarHBondContact O-N 2.91Å |
| 139 | W | 91.8 | Very high | 84.4 | Confident | 9 Ų | 9 | 63.9 Ų | 63.9 | 3% | 0.034 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 178.3 | -76.8 | 106.9 | 0 | 0 | 0 | 113.2 | W135 C136 L142 G143 L161 H164 E257 M260 W261 | W135-W139 AromaticContact CD1-CD1 4Å; W135-W139 AromaticContact CD2-NE1 3.88Å; W135-W139 AromaticContact CE2-CD1 3.82Å; W135-W139 AromaticContact CE2-NE1 3.24Å; W135-W139 AromaticContact CH2-NE1 3.99Å; W135-W139 HydrophobicContact CZ2-CZ2 4.42Å; W135-W139 AromaticContact CZ2-NE1 3.31Å; W135-W139 VanDerWaalsContact CZ2-NE1 3.31Å; W135-W139 AromaticContact NE1-CD1 3.76Å; W135-W139 AromaticContact NE1-NE1 3.49Å; W135-W139 VanDerWaalsContact O-CD1 3.22Å; W135-W139 PolarHBondContact O-N 2.67Å; W135-W139 VanDerWaalsContact O-N 3.14Å; C136-W139 PolarHBondContact O-N 3.27Å; W139-L142 HydrophobicContact CE3-CD1 4.32Å; W139-L142 HydrophobicContact CZ3-CD1 4.42Å; W139-G143 PolarHBondContact O-N 2.9Å; W139-L161 HydrophobicContact CE3-CD1 4.23Å; W139-L161 HydrophobicContact CH2-CD1 4.12Å; W139-L161 HydrophobicContact CZ3-CB 4.08Å; W139-L161 HydrophobicContact CZ3-CD1 3.72Å; W139-H164 HydrophobicContact CH2-CB 3.7Å; W139-H164 AromaticContact CH2-CG 3.76Å; W139-H164 HydrophobicContact CZ2-CB 4.09Å; W139-H164 AromaticContact CZ2-CD2 3.88Å; W139-H164 AromaticContact CZ2-CG 3.65Å; W139-H164 AromaticContact CZ2-ND1 3.79Å; W139-E257 HydrophobicContact CD2-CB 3.87Å; W139-E257 HydrophobicContact CD2-CG 4.24Å; W139-E257 HydrophobicContact CE3-CB 4.48Å; W139-E257 HydrophobicContact CG-CB 4.07Å; W139-E257 HydrophobicContact CG-CG 4.28Å; W139-E257 HydrophobicContact CZ2-CB 4.17Å; W139-E257 HydrophobicContact CZ2-CG 4.16Å; W139-E257 VanDerWaalsContact NE1-CG 3.25Å; W139-M260 HydrophobicContact CB-CB 3.8Å; W139-W261 HydrophobicContact CE3-CB 4.32Å; W139-W261 AromaticContact CE3-CE3 3.82Å; W139-W261 HydrophobicContact CE3-CE3 3.82Å; W139-W261 AromaticContact CZ3-CE3 3.93Å; W139-W261 HydrophobicContact CZ3-CE3 3.93Å; W139-W261 HydrophobicContact CZ3-CZ3 4.4Å; W139-W261 WeakPolarHBondContact O-CA 3.45Å |
| 140 | L | 92.8 | Very high | 82.8 | Confident | 54 Ų | 54 | 61.6 Ų | 61.6 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.5 | -46.5 | 175.9 | -174.2 | 149.6 | 0 | 0 | 0 | 111.6 | C136 A137 Y138 G143 V144 M260 G264 L267 | C136-L140 VanDerWaalsContact O-CB 3.3Å; C136-L140 WeakPolarHBondContact O-CB 3.37Å; C136-L140 PolarHBondContact O-N 3.17Å; A137-L140 PolarHBondContact O-N 3.29Å; Y138-L140 PolarHBondContact O-N 3.2Å; L140-G143 WeakPolarHBondContact O-CA 3.48Å; L140-G143 PolarHBondContact O-N 2.97Å; L140-G143 VanDerWaalsContact O-N 3.16Å; L140-V144 HydrophobicContact CD2-CG2 4.21Å; L140-V144 WeakPolarHBondContact O-CG2 3.3Å; L140-V144 PolarHBondContact O-N 3.05Å; L140-M260 WeakPolarHBondContact CA-O 3.37Å; L140-G264 WeakPolarHBondContact O-CA 3.4Å; L140-L267 HydrophobicContact CD1-CD1 4.28Å; L140-L267 HydrophobicContact CD2-CD1 4.15Å; L140-L267 HydrophobicContact CG-CD1 4.38Å |
| 141 | I | 89.1 | Confident | 81.3 | Confident | 95 Ų | 95 | 58 Ų | 58 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 177.4 | -70.8 | 166.4 | 0 | 0 | 0 | 110.4 | A137 Y138 G143 V144 L145 | A137-I141 WeakPolarHBondContact O-CB 3.33Å; A137-I141 WeakPolarHBondContact O-CG1 3.23Å; A137-I141 PolarHBondContact O-N 3.11Å; Y138-I141 PolarHBondContact O-N 3.34Å; I141-G143 VanDerWaalsContact C-N 3.25Å; I141-G143 PolarHBondContact O-N 3.15Å; I141-V144 PolarHBondContact O-N 2.96Å; I141-V144 VanDerWaalsContact O-N 3.14Å; I141-L145 HydrophobicContact CG2-CD1 3.84Å; I141-L145 HydrophobicContact CG2-CG 4.2Å; I141-L145 WeakPolarHBondContact O-CB 3.1Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.24Å; I141-L145 PolarHBondContact O-N 3.11Å |
| 142 | L | 86.7 | Confident | 79.9 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 11% | 0.11 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.5 | -40.6 | 173.4 | -77.3 | -176.9 | 0 | 0 | 0 | 111.8 | Y138 W139 S146 Y160 W261 | Y138-L142 HydrophobicContact CD1-CD1 3.98Å; Y138-L142 HydrophobicContact CE1-CD1 3.37Å; Y138-L142 HydrophobicContact CE1-CG 4.28Å; Y138-L142 HydrophobicContact CE2-CD1 4.09Å; Y138-L142 HydrophobicContact CE2-CG 4.26Å; Y138-L142 VanDerWaalsContact CZ-CD1 3.44Å; Y138-L142 WeakPolarHBondContact O-CB 3.34Å; Y138-L142 WeakPolarHBondContact O-CG 3.25Å; Y138-L142 PolarHBondContact O-N 2.91Å; W139-L142 HydrophobicContact CE3-CD1 4.32Å; W139-L142 HydrophobicContact CZ3-CD1 4.42Å; L142-S146 WeakPolarHBondContact O-CB 3.3Å; L142-S146 PolarHBondContact O-N 3.46Å; L142-Y160 HydrophobicContact CD1-CD1 4.23Å; L142-Y160 HydrophobicContact CD1-CG 4.49Å; L142-Y160 HydrophobicContact CD2-CD1 4.34Å; L142-Y160 HydrophobicContact CD2-CE1 4.27Å; L142-W261 HydrophobicContact CB-CE3 3.87Å; L142-W261 HydrophobicContact CB-CZ3 3.66Å; L142-W261 HydrophobicContact CD1-CZ3 4.3Å |
| 143 | G | 88.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | W139 L140 I141 S146 W261 T265 | W139-G143 PolarHBondContact O-N 2.9Å; L140-G143 WeakPolarHBondContact O-CA 3.48Å; L140-G143 PolarHBondContact O-N 2.97Å; L140-G143 VanDerWaalsContact O-N 3.16Å; I141-G143 VanDerWaalsContact C-N 3.25Å; I141-G143 PolarHBondContact O-N 3.15Å; G143-S146 WeakPolarHBondContact O-CB 3.26Å; G143-S146 PolarHBondContact O-N 2.92Å; G143-S146 PolarHBondContact O-OG 2.79Å; G143-W261 WeakPolarHBondContact CA-O 3.25Å; G143-T265 PolarHBondContact O-N 3.38Å |
| 144 | V | 86.8 | Confident | 77.3 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L140 I141 S146 S147 I148 G264 L267 | L140-V144 HydrophobicContact CD2-CG2 4.21Å; L140-V144 WeakPolarHBondContact O-CG2 3.3Å; L140-V144 PolarHBondContact O-N 3.05Å; I141-V144 PolarHBondContact O-N 2.96Å; I141-V144 VanDerWaalsContact O-N 3.14Å; V144-S146 PolarHBondContact O-N 3.08Å; V144-S147 PolarHBondContact O-N 3.31Å; V144-I148 HydrophobicContact CG1-CD1 3.69Å; V144-I148 HydrophobicContact CG1-CG1 4.39Å; V144-I148 WeakPolarHBondContact O-CG1 3.47Å; V144-I148 PolarHBondContact O-N 3.13Å; V144-G264 WeakPolarHBondContact CA-O 3.31Å; V144-G264 VanDerWaalsContact CG2-O 3.32Å; V144-G264 WeakPolarHBondContact CG2-O 3.36Å; V144-G264 PolarHBondContact N-O 3.11Å; V144-L267 HydrophobicContact CG2-CB 4Å |
| 145 | L | 81.9 | Confident | 76.2 | Confident | 98 Ų | 98 | 48.6 Ų | 48.6 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.9 | -32.7 | 177.8 | -70.3 | 175.2 | 0 | 0 | 0 | 111.8 | I141 S147 I148 G149 | I141-L145 HydrophobicContact CG2-CD1 3.84Å; I141-L145 HydrophobicContact CG2-CG 4.2Å; I141-L145 WeakPolarHBondContact O-CB 3.1Å; I141-L145 VanDerWaalsContact O-CG 3.31Å; I141-L145 WeakPolarHBondContact O-CG 3.24Å; I141-L145 PolarHBondContact O-N 3.11Å; L145-S147 PolarHBondContact O-N 3.2Å; L145-I148 PolarHBondContact O-N 2.97Å; L145-G149 PolarHBondContact O-N 3.13Å |
| 146 | S | 79.3 | Confident | 75.6 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.7 | -31.4 | 176.8 | 83 | 0 | 0 | 0 | 0 | 113.7 | L142 G143 V144 T265 | L142-S146 WeakPolarHBondContact O-CB 3.3Å; L142-S146 PolarHBondContact O-N 3.46Å; G143-S146 WeakPolarHBondContact O-CB 3.26Å; G143-S146 PolarHBondContact O-N 2.92Å; G143-S146 PolarHBondContact O-OG 2.79Å; V144-S146 PolarHBondContact O-N 3.08Å; S146-T265 WeakPolarHBondContact OG-CG2 3.18Å |
| 147 | S | 76.3 | Confident | 75.1 | Confident | 15 Ų | 15 | 45.9 Ų | 45.9 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -81.5 | -43.4 | 177.3 | -54.2 | 0 | 0 | 0 | 0 | 111.6 | V144 L145 G149 T265 G268 | V144-S147 PolarHBondContact O-N 3.31Å; L145-S147 PolarHBondContact O-N 3.2Å; S147-G149 PolarHBondContact O-N 3.23Å; S147-T265 WeakPolarHBondContact OG-CA 3.49Å; S147-T265 PolarHBondContact OG-O 2.86Å; S147-G268 VanDerWaalsContact CB-C 3.48Å |
| 148 | I | 67.3 | Low | 74.3 | Confident | 111 Ų | 111 | 49 Ų | 49 | 57% | 0.569 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.9 | -41 | -177.4 | -62.8 | 170.2 | 0 | 0 | 0 | 111.5 | V144 L145 | V144-I148 HydrophobicContact CG1-CD1 3.69Å; V144-I148 HydrophobicContact CG1-CG1 4.39Å; V144-I148 WeakPolarHBondContact O-CG1 3.47Å; V144-I148 PolarHBondContact O-N 3.13Å; L145-I148 PolarHBondContact O-N 2.97Å |
| 149 | G | 55.7 | Low | 73.5 | Confident | 16 Ų | 16 | 46.2 Ų | 46.2 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -88.8 | -15.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | L145 S147 M445 | L145-G149 PolarHBondContact O-N 3.13Å; S147-G149 PolarHBondContact O-N 3.23Å; G149-M445 WeakPolarHBondContact O-CE 3.49Å |
| 150 | F | 51.7 | Low | 73 | Confident | 36 Ų | 36 | 50 Ų | 50 | 16% | 0.158 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -144.6 | -13.8 | -163.5 | -89.4 | -90.7 | 0 | 0 | 0 | 117.5 | T152 H155 V442 M445 | F150-T152 PolarHBondContact O-N 3.24Å; F150-T152 PolarHBondContact O-OG1 2.91Å; F150-H155 AromaticContact CE1-ND1 3.71Å; F150-V442 HydrophobicContact CE2-CG1 4.35Å; F150-V442 HydrophobicContact CE2-CG2 4.19Å; F150-V442 HydrophobicContact CZ-CB 4.31Å; F150-V442 HydrophobicContact CZ-CG2 3.78Å; F150-M445 HydrophobicContact CD1-CE 3.22Å; F150-M445 HydrophobicContact CD1-SD 3.8Å; F150-M445 HydrophobicContact CD2-CE 3.96Å; F150-M445 HydrophobicContact CE1-CE 3.13Å; F150-M445 HydrophobicContact CE1-CG 4.39Å; F150-M445 HydrophobicContact CE1-SD 3.03Å; F150-M445 WeakPolarHBondContact CE1-SD 3.27Å; F150-M445 HydrophobicContact CE2-CB 3.97Å; F150-M445 HydrophobicContact CE2-CE 3.83Å; F150-M445 HydrophobicContact CE2-SD 4.1Å; F150-M445 HydrophobicContact CG-CE 3.65Å; F150-M445 HydrophobicContact CZ-CB 3.81Å; F150-M445 HydrophobicContact CZ-CE 3.42Å; F150-M445 VanDerWaalsContact CZ-CE 3.42Å; F150-M445 HydrophobicContact CZ-CG 4.01Å; F150-M445 HydrophobicContact CZ-SD 3.18Å; F150-M445 WeakPolarHBondContact CZ-SD 3.37Å |
| 151 | G | 52 | Low | 72.7 | Confident | 39 Ų | 39 | 47.5 Ų | 47.5 | 40% | 0.402 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 58.4 | -16.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | N338 | G151-N338 WeakPolarHBondContact O-CB 3.25Å; G151-N338 PolarHBondContact O-ND2 3.28Å |
| 152 | T | 53.5 | Low | 72.4 | Confident | 83 Ų | 83 | 43.2 Ų | 43.2 | 51% | 0.509 | 24% | 0.24 | S | C | . | . | trans | -124.5 | 75.2 | -173.1 | 56.2 | 0 | 0 | 0 | 0 | 107.2 | F150 L154 H155 | F150-T152 PolarHBondContact O-N 3.24Å; F150-T152 PolarHBondContact O-OG1 2.91Å; T152-L154 PolarHBondContact O-N 3.01Å; T152-H155 PolarHBondContact O-N 3.35Å | ||
| 153 | G | 56.3 | Low | 72.2 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 6% | 0.062 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.1 | -6.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F157 N338 | G153-F157 WeakPolarHBondContact O-CB 3.5Å; G153-F157 PolarHBondContact O-N 2.9Å; G153-N338 PolarHBondContact N-ND2 3.47Å |
| 154 | L | 61.8 | Low | 72 | Confident | 111 Ų | 111 | 45.7 Ų | 45.7 | 58% | 0.581 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 169.7 | -171.2 | 70.1 | 0 | 0 | 0 | 112.4 | T152 F157 L158 | T152-L154 PolarHBondContact O-N 3.01Å; L154-F157 PolarHBondContact O-N 3.18Å; L154-L158 WeakPolarHBondContact O-CG 3.2Å; L154-L158 PolarHBondContact O-N 3.43Å; L154-L158 VanDerWaalsContact O-N 3.08Å |
| 155 | H | 66.6 | Low | 72 | Confident | 57 Ų | 57 | 44.1 Ų | 44.1 | 26% | 0.264 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.1 | -46.9 | -178.2 | -174.2 | -107.2 | 0 | 0 | 0 | 110.8 | F150 T152 F157 L158 L159 | F150-H155 AromaticContact CE1-ND1 3.71Å; T152-H155 PolarHBondContact O-N 3.35Å; H155-F157 VanDerWaalsContact C-N 3.34Å; H155-F157 PolarHBondContact O-N 2.85Å; H155-L158 PolarHBondContact O-N 2.79Å; H155-L159 VanDerWaalsContact CE1-CD1 3.44Å; H155-L159 WeakPolarHBondContact CE1-CD1 3.34Å; H155-L159 WeakPolarHBondContact O-CG 2.99Å; H155-L159 PolarHBondContact O-N 2.91Å; H155-L159 VanDerWaalsContact O-N 3.15Å |
| 156 | T | 74.8 | Confident | 71.9 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 7% | 0.074 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67 | -35.6 | 177.7 | -11.6 | 0 | 0 | 0 | 0 | 112 | L159 Y160 W261 | T156-L159 PolarHBondContact O-N 3.02Å; T156-Y160 HydrophobicContact CG2-CD2 3.9Å; T156-Y160 HydrophobicContact CG2-CE2 3.92Å; T156-Y160 WeakPolarHBondContact O-CD2 3.37Å; T156-Y160 PolarHBondContact O-N 2.76Å; T156-Y160 VanDerWaalsContact O-N 3.13Å; T156-W261 HydrophobicContact CG2-CH2 4.07Å; T156-W261 WeakPolarHBondContact O-CH2 3.3Å |
| 157 | F | 81.6 | Confident | 71.8 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 4% | 0.044 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -56.9 | -49 | 170.9 | 170.8 | -96 | 0 | 0 | 0 | 111.4 | G153 L154 H155 L159 L161 G162 I165 Q374 V378 | G153-F157 WeakPolarHBondContact O-CB 3.5Å; G153-F157 PolarHBondContact O-N 2.9Å; L154-F157 PolarHBondContact O-N 3.18Å; H155-F157 VanDerWaalsContact C-N 3.34Å; H155-F157 PolarHBondContact O-N 2.85Å; F157-L159 PolarHBondContact O-N 3.43Å; F157-L161 HydrophobicContact CD2-CB 3.89Å; F157-L161 HydrophobicContact CD2-CD2 3.83Å; F157-L161 HydrophobicContact CD2-CG 4.11Å; F157-L161 HydrophobicContact CE2-CB 4.1Å; F157-L161 HydrophobicContact CE2-CD2 3.73Å; F157-L161 HydrophobicContact CE2-CG 3.9Å; F157-L161 PolarHBondContact O-N 2.99Å; F157-G162 PolarHBondContact O-N 3.45Å; F157-I165 HydrophobicContact CE2-CD1 4.38Å; F157-Q374 HydrophobicContact CE1-CB 4.4Å; F157-Q374 HydrophobicContact CE2-CB 3.78Å; F157-Q374 HydrophobicContact CE2-CG 4.45Å; F157-Q374 HydrophobicContact CZ-CB 3.72Å; F157-Q374 HydrophobicContact CZ-CG 4.44Å; F157-V378 HydrophobicContact CE1-CG2 3.87Å; F157-V378 HydrophobicContact CZ-CG2 3.65Å |
| 158 | L | 75.2 | Confident | 72.2 | Confident | 107 Ų | 107 | 39.9 Ų | 39.9 | 56% | 0.56 | 23% | 0.225 | S | C | * | . | I | π-helix | trans | -66.3 | -20 | 179.4 | -71.2 | 173.5 | 0 | 0 | 0 | 113.6 | L154 H155 P163 | L154-L158 WeakPolarHBondContact O-CG 3.2Å; L154-L158 PolarHBondContact O-N 3.43Å; L154-L158 VanDerWaalsContact O-N 3.08Å; H155-L158 PolarHBondContact O-N 2.79Å; L158-P163 WeakPolarHBondContact O-CD 3.21Å; L158-P163 VanDerWaalsContact O-CG 3.25Å; L158-P163 WeakPolarHBondContact O-CG 3.38Å |
| 159 | L | 73.4 | Confident | 72.9 | Confident | 55 Ų | 55 | 34.6 Ų | 34.6 | 29% | 0.288 | 20% | 0.198 | S | C | . | . | I | π-helix | trans | -88.8 | -32.8 | -180 | -74.8 | 170.9 | 0 | 0 | 0 | 114.4 | H155 T156 F157 I438 V442 | H155-L159 VanDerWaalsContact CE1-CD1 3.44Å; H155-L159 WeakPolarHBondContact CE1-CD1 3.34Å; H155-L159 WeakPolarHBondContact O-CG 2.99Å; H155-L159 PolarHBondContact O-N 2.91Å; H155-L159 VanDerWaalsContact O-N 3.15Å; T156-L159 PolarHBondContact O-N 3.02Å; F157-L159 PolarHBondContact O-N 3.43Å; L159-I438 HydrophobicContact CD1-CG2 3.82Å; L159-I438 HydrophobicContact CD2-CG2 3.44Å; L159-I438 VanDerWaalsContact CD2-CG2 3.44Å; L159-I438 HydrophobicContact CG-CG2 4.16Å; L159-V442 HydrophobicContact CD1-CG2 3.76Å |
| 160 | Y | 81.3 | Confident | 73.9 | Confident | 89 Ų | 89 | 34.3 Ų | 34.3 | 35% | 0.349 | 19% | 0.193 | S | C | . | . | I | π-helix | trans | -120.2 | -65.7 | -172.5 | -63.8 | -82.6 | 0 | 0 | 0 | 112.1 | L142 T156 H164 W261 | L142-Y160 HydrophobicContact CD1-CD1 4.23Å; L142-Y160 HydrophobicContact CD1-CG 4.49Å; L142-Y160 HydrophobicContact CD2-CD1 4.34Å; L142-Y160 HydrophobicContact CD2-CE1 4.27Å; T156-Y160 HydrophobicContact CG2-CD2 3.9Å; T156-Y160 HydrophobicContact CG2-CE2 3.92Å; T156-Y160 WeakPolarHBondContact O-CD2 3.37Å; T156-Y160 PolarHBondContact O-N 2.76Å; T156-Y160 VanDerWaalsContact O-N 3.13Å; Y160-H164 WeakPolarHBondContact O-CB 3.21Å; Y160-H164 PolarHBondContact O-N 2.94Å; Y160-W261 HydrophobicContact CD2-CH2 4.05Å; Y160-W261 HydrophobicContact CD2-CZ3 4.33Å; Y160-W261 HydrophobicContact CG-CH2 4.31Å; Y160-W261 HydrophobicContact CG-CZ3 4.18Å |
| 161 | L | 86.2 | Confident | 75 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -70.3 | -40.2 | -173.7 | -175.5 | 60.9 | 0 | 0 | 0 | 112.4 | W139 F157 H164 I165 E257 W261 | W139-L161 HydrophobicContact CE3-CD1 4.23Å; W139-L161 HydrophobicContact CH2-CD1 4.12Å; W139-L161 HydrophobicContact CZ3-CB 4.08Å; W139-L161 HydrophobicContact CZ3-CD1 3.72Å; F157-L161 HydrophobicContact CD2-CB 3.89Å; F157-L161 HydrophobicContact CD2-CD2 3.83Å; F157-L161 HydrophobicContact CD2-CG 4.11Å; F157-L161 HydrophobicContact CE2-CB 4.1Å; F157-L161 HydrophobicContact CE2-CD2 3.73Å; F157-L161 HydrophobicContact CE2-CG 3.9Å; F157-L161 PolarHBondContact O-N 2.99Å; L161-H164 PolarHBondContact O-N 2.91Å; L161-I165 HydrophobicContact CD1-CD1 4.05Å; L161-I165 HydrophobicContact CD1-CG1 4.24Å; L161-I165 HydrophobicContact CD2-CD1 4.39Å; L161-I165 HydrophobicContact CG-CD1 3.76Å; L161-I165 HydrophobicContact CG-CG1 4.4Å; L161-I165 VanDerWaalsContact O-CG1 3.27Å; L161-I165 WeakPolarHBondContact O-CG1 3.22Å; L161-I165 PolarHBondContact O-N 2.9Å; L161-E257 HydrophobicContact CD1-CB 4.5Å; L161-W261 HydrophobicContact CB-CD2 4.05Å; L161-W261 HydrophobicContact CB-CE3 4.24Å; L161-W261 HydrophobicContact CB-CG 4.38Å; L161-W261 HydrophobicContact CD2-CB 3.98Å; L161-W261 HydrophobicContact CD2-CD2 4.24Å; L161-W261 HydrophobicContact CD2-CG 3.69Å |
| 162 | G | 84.2 | Confident | 76.3 | Confident | 6 Ų | 6 | 31.4 Ų | 31.4 | 6% | 0.062 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.6 | -54.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | F157 H164 I165 A166 | F157-G162 PolarHBondContact O-N 3.45Å; G162-H164 VanDerWaalsContact C-N 3.32Å; G162-H164 PolarHBondContact O-N 2.78Å; G162-I165 PolarHBondContact O-N 3.46Å; G162-A166 WeakPolarHBondContact O-CB 3.34Å; G162-A166 PolarHBondContact O-N 2.74Å |
| 163 | P | 81.6 | Confident | 77.4 | Confident | 52 Ų | 52 | 30.1 Ų | 30.1 | 34% | 0.338 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -59.6 | -38.2 | 176.2 | -28.5 | 37.5 | 0 | 0 | 0 | 113.3 | L158 A166 A167 | L158-P163 WeakPolarHBondContact O-CD 3.21Å; L158-P163 VanDerWaalsContact O-CG 3.25Å; L158-P163 WeakPolarHBondContact O-CG 3.38Å; P163-A166 PolarHBondContact O-N 2.7Å; P163-A167 WeakPolarHBondContact O-CB 3.32Å; P163-A167 PolarHBondContact O-N 3.25Å |
| 164 | H | 84.5 | Confident | 78.1 | Confident | 21 Ų | 21 | 34 Ų | 34 | 10% | 0.097 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.4 | -48 | 174.3 | 174.5 | 80.6 | 0 | 0 | 0 | 112 | W139 Y160 L161 G162 A166 A167 V168 P183 | W139-H164 HydrophobicContact CH2-CB 3.7Å; W139-H164 AromaticContact CH2-CG 3.76Å; W139-H164 HydrophobicContact CZ2-CB 4.09Å; W139-H164 AromaticContact CZ2-CD2 3.88Å; W139-H164 AromaticContact CZ2-CG 3.65Å; W139-H164 AromaticContact CZ2-ND1 3.79Å; Y160-H164 WeakPolarHBondContact O-CB 3.21Å; Y160-H164 PolarHBondContact O-N 2.94Å; L161-H164 PolarHBondContact O-N 2.91Å; G162-H164 VanDerWaalsContact C-N 3.32Å; G162-H164 PolarHBondContact O-N 2.78Å; H164-A166 VanDerWaalsContact C-N 3.31Å; H164-A166 PolarHBondContact O-N 3.42Å; H164-A167 PolarHBondContact O-N 3.48Å; H164-V168 WeakPolarHBondContact O-CG2 3.28Å; H164-V168 PolarHBondContact O-N 3.46Å; H164-P183 VanDerWaalsContact CE1-CG 3.43Å; H164-P183 WeakPolarHBondContact CE1-CG 3.41Å; H164-P183 WeakPolarHBondContact ND1-CG 3.38Å |
| 165 | I | 86.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -41 | 177 | -65.2 | 163.8 | 0 | 0 | 0 | 110.7 | F157 L161 G162 V168 T169 V254 K375 V378 I379 | F157-I165 HydrophobicContact CE2-CD1 4.38Å; L161-I165 HydrophobicContact CD1-CD1 4.05Å; L161-I165 HydrophobicContact CD1-CG1 4.24Å; L161-I165 HydrophobicContact CD2-CD1 4.39Å; L161-I165 HydrophobicContact CG-CD1 3.76Å; L161-I165 HydrophobicContact CG-CG1 4.4Å; L161-I165 VanDerWaalsContact O-CG1 3.27Å; L161-I165 WeakPolarHBondContact O-CG1 3.22Å; L161-I165 PolarHBondContact O-N 2.9Å; G162-I165 PolarHBondContact O-N 3.46Å; I165-V168 PolarHBondContact O-N 3.07Å; I165-T169 VanDerWaalsContact O-CB 3.3Å; I165-T169 WeakPolarHBondContact O-CB 3.33Å; I165-T169 PolarHBondContact O-N 3.39Å; I165-T169 PolarHBondContact O-OG1 3.19Å; I165-V254 HydrophobicContact CG1-CB 4.34Å; I165-V254 HydrophobicContact CG1-CG1 4.48Å; I165-V254 HydrophobicContact CG1-CG2 4.23Å; I165-K375 HydrophobicContact CD1-CB 3.69Å; I165-V378 HydrophobicContact CB-CB 4.49Å; I165-V378 HydrophobicContact CB-CG1 3.91Å; I165-V378 HydrophobicContact CG2-CB 3.95Å; I165-V378 HydrophobicContact CG2-CG1 3.61Å; I165-I379 HydrophobicContact CG2-CD1 4.27Å; I165-I379 HydrophobicContact CG2-CG1 3.62Å |
| 166 | A | 81.3 | Confident | 78.8 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G162 P163 H164 T169 L170 V378 F382 L419 | G162-A166 WeakPolarHBondContact O-CB 3.34Å; G162-A166 PolarHBondContact O-N 2.74Å; P163-A166 PolarHBondContact O-N 2.7Å; H164-A166 VanDerWaalsContact C-N 3.31Å; H164-A166 PolarHBondContact O-N 3.42Å; A166-T169 PolarHBondContact O-N 3.42Å; A166-L170 WeakPolarHBondContact O-CB 3.46Å; A166-L170 WeakPolarHBondContact O-CG 3.32Å; A166-L170 PolarHBondContact O-N 2.89Å; A166-V378 HydrophobicContact CB-CG1 4.44Å; A166-F382 HydrophobicContact CB-CD1 4.1Å; A166-F382 HydrophobicContact CB-CD2 3.68Å; A166-F382 HydrophobicContact CB-CE1 3.94Å; A166-F382 HydrophobicContact CB-CE2 3.53Å; A166-F382 HydrophobicContact CB-CG 3.98Å; A166-F382 HydrophobicContact CB-CZ 3.66Å; A166-L419 HydrophobicContact CB-CD2 4.31Å |
| 167 | A | 77.3 | Confident | 78.8 | Confident | 19 Ų | 19 | 29.8 Ų | 29.8 | 16% | 0.157 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P163 H164 T169 A171 L419 | P163-A167 WeakPolarHBondContact O-CB 3.32Å; P163-A167 PolarHBondContact O-N 3.25Å; H164-A167 PolarHBondContact O-N 3.48Å; A167-T169 VanDerWaalsContact C-N 3.35Å; A167-A171 WeakPolarHBondContact O-CB 3.24Å; A167-A171 PolarHBondContact O-N 3.11Å; A167-L419 HydrophobicContact CB-CD2 4.08Å |
| 168 | V | 83.4 | Confident | 78.5 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.9 | -38.5 | 175.3 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | H164 I165 A172 F180 P183 K253 V254 | H164-V168 WeakPolarHBondContact O-CG2 3.28Å; H164-V168 PolarHBondContact O-N 3.46Å; I165-V168 PolarHBondContact O-N 3.07Å; V168-A172 WeakPolarHBondContact O-CB 3.33Å; V168-A172 PolarHBondContact O-N 3.13Å; V168-F180 HydrophobicContact CG1-CE2 4.18Å; V168-F180 HydrophobicContact CG1-CZ 3.91Å; V168-F180 WeakPolarHBondContact O-CZ 3.36Å; V168-P183 HydrophobicContact CG2-CG 4.14Å; V168-K253 HydrophobicContact CG1-CG 4Å; V168-V254 HydrophobicContact CB-CG1 3.74Å; V168-V254 HydrophobicContact CG1-CG1 3.59Å; V168-V254 HydrophobicContact CG2-CG1 3.96Å |
| 169 | T | 83.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 177.9 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | I165 A166 A167 A172 F173 I250 I379 F382 | I165-T169 VanDerWaalsContact O-CB 3.3Å; I165-T169 WeakPolarHBondContact O-CB 3.33Å; I165-T169 PolarHBondContact O-N 3.39Å; I165-T169 PolarHBondContact O-OG1 3.19Å; A166-T169 PolarHBondContact O-N 3.42Å; A167-T169 VanDerWaalsContact C-N 3.35Å; T169-A172 WeakPolarHBondContact O-CB 3.41Å; T169-A172 PolarHBondContact O-N 3.39Å; T169-F173 HydrophobicContact CG2-CD2 3.87Å; T169-F173 HydrophobicContact CG2-CE2 3.67Å; T169-F173 WeakPolarHBondContact O-CD2 3.38Å; T169-F173 PolarHBondContact O-N 3.31Å; T169-F173 VanDerWaalsContact O-N 3.11Å; T169-I250 HydrophobicContact CG2-CD1 4.25Å; T169-I379 HydrophobicContact CG2-CG2 4.18Å; T169-F382 HydrophobicContact CG2-CB 3.85Å |
| 170 | L | 75.4 | Confident | 78.2 | Confident | 10 Ų | 10 | 30.2 Ų | 30.2 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.5 | -46.9 | 179.3 | -78.3 | 163.3 | 0 | 0 | 0 | 111.7 | A166 A172 F173 E174 F382 K416 L419 | A166-L170 WeakPolarHBondContact O-CB 3.46Å; A166-L170 WeakPolarHBondContact O-CG 3.32Å; A166-L170 PolarHBondContact O-N 2.89Å; L170-A172 VanDerWaalsContact C-N 3.25Å; L170-A172 PolarHBondContact O-N 3.33Å; L170-F173 PolarHBondContact O-N 3.45Å; L170-F173 VanDerWaalsContact O-N 3.14Å; L170-E174 WeakPolarHBondContact O-CB 3.47Å; L170-E174 WeakPolarHBondContact O-CG 3.18Å; L170-E174 PolarHBondContact O-N 2.8Å; L170-F382 HydrophobicContact CD1-CD1 3.97Å; L170-F382 HydrophobicContact CD1-CE1 4.4Å; L170-F382 HydrophobicContact CG-CD1 4.38Å; L170-K416 HydrophobicContact CD1-CG 4.38Å; L170-K416 HydrophobicContact CD2-CD 4.09Å; L170-K416 HydrophobicContact CD2-CG 3.9Å; L170-L419 HydrophobicContact CD1-CB 4.31Å; L170-L419 HydrophobicContact CD1-CD2 3.32Å; L170-L419 HydrophobicContact CD1-CG 4.39Å |
| 171 | A | 74.6 | Confident | 77.5 | Confident | 13 Ų | 13 | 28.3 Ų | 28.3 | 11% | 0.107 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.4 | -38.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A167 E174 C175 F180 Y185 | A167-A171 WeakPolarHBondContact O-CB 3.24Å; A167-A171 PolarHBondContact O-N 3.11Å; A171-E174 PolarHBondContact O-N 2.83Å; A171-C175 VanDerWaalsContact O-CB 3.29Å; A171-C175 WeakPolarHBondContact O-CB 3.3Å; A171-C175 PolarHBondContact O-N 3.41Å; A171-C175 PolarHBondContact O-SG 3.2Å; A171-C175 VanDerWaalsContact O-SG 3.37Å; A171-F180 HydrophobicContact CB-CD1 4.32Å; A171-F180 HydrophobicContact CB-CD2 3.97Å; A171-F180 HydrophobicContact CB-CE1 4.08Å; A171-F180 HydrophobicContact CB-CE2 3.7Å; A171-F180 HydrophobicContact CB-CG 4.27Å; A171-F180 HydrophobicContact CB-CZ 3.76Å; A171-Y185 WeakPolarHBondContact CB-OH 3.3Å |
| 172 | A | 79.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63 | -45.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V168 T169 L170 G176 S177 L178 F180 V245 I250 | V168-A172 WeakPolarHBondContact O-CB 3.33Å; V168-A172 PolarHBondContact O-N 3.13Å; T169-A172 WeakPolarHBondContact O-CB 3.41Å; T169-A172 PolarHBondContact O-N 3.39Å; L170-A172 VanDerWaalsContact C-N 3.25Å; L170-A172 PolarHBondContact O-N 3.33Å; A172-G176 WeakPolarHBondContact O-CA 3.39Å; A172-G176 PolarHBondContact O-N 3.33Å; A172-S177 WeakPolarHBondContact CA-O 3.35Å; A172-S177 PolarHBondContact O-N 2.93Å; A172-L178 HydrophobicContact CB-CD2 3.59Å; A172-F180 HydrophobicContact CB-CE1 3.89Å; A172-F180 HydrophobicContact CB-CZ 4.18Å; A172-V245 HydrophobicContact CB-CG1 3.95Å; A172-V245 WeakPolarHBondContact O-CG2 3.33Å; A172-I250 HydrophobicContact CB-CD1 4.09Å; A172-I250 HydrophobicContact CB-CG1 3.99Å |
| 173 | F | 76.4 | Confident | 75.5 | Confident | 57 Ų | 57 | 33.5 Ų | 33.5 | 25% | 0.25 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.2 | -35 | 177.7 | -75.9 | -66.5 | 0 | 0 | 0 | 112.7 | T169 L170 V245 I250 S383 | T169-F173 HydrophobicContact CG2-CD2 3.87Å; T169-F173 HydrophobicContact CG2-CE2 3.67Å; T169-F173 WeakPolarHBondContact O-CD2 3.38Å; T169-F173 PolarHBondContact O-N 3.31Å; T169-F173 VanDerWaalsContact O-N 3.11Å; L170-F173 PolarHBondContact O-N 3.45Å; L170-F173 VanDerWaalsContact O-N 3.14Å; F173-V245 HydrophobicContact CD1-CB 4.46Å; F173-V245 HydrophobicContact CD1-CG1 3.69Å; F173-V245 HydrophobicContact CE1-CB 4.36Å; F173-V245 HydrophobicContact CE1-CG1 3.57Å; F173-V245 HydrophobicContact CE2-CG1 4.39Å; F173-V245 HydrophobicContact CG-CG1 4.15Å; F173-V245 HydrophobicContact CZ-CG1 3.9Å; F173-I250 HydrophobicContact CD2-CD1 4.49Å; F173-I250 HydrophobicContact CE2-CD1 3.78Å; F173-I250 HydrophobicContact CZ-CD1 4.04Å; F173-S383 VanDerWaalsContact CE2-CB 3.46Å; F173-S383 WeakPolarHBondContact CE2-OG 3.47Å; F173-S383 WeakPolarHBondContact CZ-OG 3.18Å |
| 174 | E | 71.6 | Confident | 74.4 | Confident | 88 Ų | 88 | 36.5 Ų | 36.5 | 41% | 0.411 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -70.5 | -47.1 | 177.1 | -74.6 | 175.6 | -124.1 | 0 | 0 | 113 | L170 A171 G176 H420 | L170-E174 WeakPolarHBondContact O-CB 3.47Å; L170-E174 WeakPolarHBondContact O-CG 3.18Å; L170-E174 PolarHBondContact O-N 2.8Å; A171-E174 PolarHBondContact O-N 2.83Å; E174-G176 VanDerWaalsContact C-N 3.26Å; E174-G176 PolarHBondContact O-N 3.13Å; E174-H420 IonicContact OE1-CE1 3.49Å; E174-H420 PolarHBondContact OE1-CE1 3.18Å; E174-H420 IonicContact OE1-ND1 3.54Å; E174-H420 PolarHBondContact OE1-ND1 3.03Å; E174-H420 IonicContact OE1-NE2 3.53Å; E174-H420 IonicContact OE2-CE1 2.9Å; E174-H420 IonicContact OE2-ND1 3.85Å |
| 175 | C | 70.5 | Confident | 73.1 | Confident | 23 Ų | 23 | 37.8 Ų | 37.8 | 16% | 0.155 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -74.5 | -19.4 | 178.4 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | A171 S177 F180 C197 | A171-C175 VanDerWaalsContact O-CB 3.29Å; A171-C175 WeakPolarHBondContact O-CB 3.3Å; A171-C175 PolarHBondContact O-N 3.41Å; A171-C175 PolarHBondContact O-SG 3.2Å; A171-C175 VanDerWaalsContact O-SG 3.37Å; C175-S177 PolarHBondContact O-N 3.19Å; C175-F180 HydrophobicContact CB-CD1 4.37Å; C175-C197 WeakPolarHBondContact CA-SG 3.48Å; C175-C197 HydrophobicContact CB-CB 3.67Å; C175-C197 WeakPolarHBondContact CB-SG 3.44Å; C175-C197 WeakPolarHBondContact SG-CB 3.47Å; C175-C197 CovalentContact SG-SG 2.03Å; C175-C197 PolarHBondContact SG-SG 3.28Å |
| 176 | G | 72.8 | Confident | 71.6 | Confident | 48 Ų | 48 | 40.6 Ų | 40.6 | 50% | 0.495 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 22.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A172 E174 | A172-G176 WeakPolarHBondContact O-CA 3.39Å; A172-G176 PolarHBondContact O-N 3.33Å; E174-G176 VanDerWaalsContact C-N 3.26Å; E174-G176 PolarHBondContact O-N 3.13Å |
| 177 | S | 75 | Confident | 70.1 | Confident | 19 Ų | 19 | 46.1 Ų | 46.1 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -156.1 | 159.6 | -171.7 | 178 | 0 | 0 | 0 | 0 | 109.4 | A172 C175 M179 F180 | A172-S177 WeakPolarHBondContact CA-O 3.35Å; A172-S177 PolarHBondContact O-N 2.93Å; C175-S177 PolarHBondContact O-N 3.19Å; S177-M179 WeakPolarHBondContact OG-CB 3.42Å; S177-M179 PolarHBondContact OG-N 3.48Å; S177-F180 VanDerWaalsContact O-CD1 3.3Å; S177-F180 WeakPolarHBondContact O-CD1 3.38Å; S177-F180 WeakPolarHBondContact O-CE1 3.28Å |
| 178 | L | 74.2 | Confident | 68.6 | Low | 30 Ų | 30 | 51.8 Ų | 51.8 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -100.5 | 3.3 | 170.3 | -67.3 | 171.2 | 0 | 0 | 0 | 113.2 | A172 F180 N249 I250 K253 | A172-L178 HydrophobicContact CB-CD2 3.59Å; L178-F180 VanDerWaalsContact C-N 3.3Å; L178-F180 HydrophobicContact CD2-CE1 4.15Å; L178-F180 HydrophobicContact CD2-CZ 4.41Å; L178-F180 PolarHBondContact O-N 2.94Å; L178-N249 HydrophobicContact CD1-CB 3.3Å; L178-I250 HydrophobicContact CD2-CG1 4.06Å; L178-K253 HydrophobicContact CD2-CB 4.45Å |
| 179 | M | 71.2 | Confident | 66.9 | Low | 137 Ų | 137 | 52.2 Ų | 52.2 | 68% | 0.675 | 29% | 0.289 | S | S | * | . | trans | -89.7 | 65.8 | 179.3 | -62.4 | -69.1 | -70.8 | 0 | 0 | 110 | S177 M203 | S177-M179 WeakPolarHBondContact OG-CB 3.42Å; S177-M179 PolarHBondContact OG-N 3.48Å; M179-M203 HydrophobicContact CB-CE 3.98Å | ||
| 180 | F | 71.1 | Confident | 65.2 | Low | 14 Ų | 14 | 53.7 Ų | 53.7 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -128.5 | 155.2 | 172.9 | 52.5 | -99.2 | 0 | 0 | 0 | 109.5 | V168 A171 A172 C175 S177 L178 Y185 C196 | V168-F180 HydrophobicContact CG1-CE2 4.18Å; V168-F180 HydrophobicContact CG1-CZ 3.91Å; V168-F180 WeakPolarHBondContact O-CZ 3.36Å; A171-F180 HydrophobicContact CB-CD1 4.32Å; A171-F180 HydrophobicContact CB-CD2 3.97Å; A171-F180 HydrophobicContact CB-CE1 4.08Å; A171-F180 HydrophobicContact CB-CE2 3.7Å; A171-F180 HydrophobicContact CB-CG 4.27Å; A171-F180 HydrophobicContact CB-CZ 3.76Å; A172-F180 HydrophobicContact CB-CE1 3.89Å; A172-F180 HydrophobicContact CB-CZ 4.18Å; C175-F180 HydrophobicContact CB-CD1 4.37Å; S177-F180 VanDerWaalsContact O-CD1 3.3Å; S177-F180 WeakPolarHBondContact O-CD1 3.38Å; S177-F180 WeakPolarHBondContact O-CE1 3.28Å; L178-F180 VanDerWaalsContact C-N 3.3Å; L178-F180 HydrophobicContact CD2-CE1 4.15Å; L178-F180 HydrophobicContact CD2-CZ 4.41Å; L178-F180 PolarHBondContact O-N 2.94Å; F180-Y185 AromaticContact CD2-CE1 3.94Å; F180-Y185 HydrophobicContact CD2-CE1 3.94Å; F180-Y185 HydrophobicContact CE2-CE1 4.46Å; F180-Y185 WeakPolarHBondContact CE2-OH 3.41Å; F180-C196 WeakPolarHBondContact CB-O 3.26Å |
| 181 | P | 67.6 | Low | 63.8 | Low | 49 Ų | 49 | 60.9 Ų | 60.9 | 32% | 0.318 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 153.3 | -179.9 | 21.8 | -31.2 | 0 | 0 | 0 | 111.7 | Y185 | P181-Y185 HydrophobicContact CG-CD1 4.22Å; P181-Y185 WeakPolarHBondContact O-CE1 3.45Å |
| 182 | E | 66.4 | Low | 62.4 | Low | 98 Ų | 98 | 65.1 Ų | 65.1 | 46% | 0.458 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 143.7 | 178.5 | -72.7 | 164.9 | -177.4 | 0 | 0 | 110.7 | K253 | E182-K253 IonicContact OE1-NZ 3.55Å; E182-K253 PolarHBondContact OE1-NZ 3.45Å |
| 183 | P | 62.2 | Low | 61.3 | Low | 18 Ų | 18 | 72.7 Ų | 72.7 | 12% | 0.117 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -67.4 | 148.7 | 177.3 | 28.7 | -35.3 | 0 | 0 | 0 | 111.3 | W135 H164 V168 Y185 | W135-P183 VanDerWaalsContact CH2-O 3.25Å; W135-P183 WeakPolarHBondContact CH2-O 3.23Å; H164-P183 VanDerWaalsContact CE1-CG 3.43Å; H164-P183 WeakPolarHBondContact CE1-CG 3.41Å; H164-P183 WeakPolarHBondContact ND1-CG 3.38Å; V168-P183 HydrophobicContact CG2-CG 4.14Å; P183-Y185 HydrophobicContact CB-CD2 4.25Å; P183-Y185 HydrophobicContact CB-CE2 3.99Å |
| 184 | P | 58.3 | Low | 60.1 | Low | 115 Ų | 115 | 72.4 Ų | 72.4 | 75% | 0.747 | 39% | 0.393 | S | S | * | . | S | Bend | cis | -70.7 | 128.1 | 4.8 | 28.8 | -33.9 | 0 | 0 | 0 | 111.8 | ||
| 185 | Y | 56.4 | Low | 59.3 | Low | 48 Ų | 48 | 71.4 Ų | 71.4 | 19% | 0.188 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 138.4 | -180 | -60.2 | -71.6 | 0 | 0 | 0 | 109 | A171 F180 P181 P183 | A171-Y185 WeakPolarHBondContact CB-OH 3.3Å; F180-Y185 AromaticContact CD2-CE1 3.94Å; F180-Y185 HydrophobicContact CD2-CE1 3.94Å; F180-Y185 HydrophobicContact CE2-CE1 4.46Å; F180-Y185 WeakPolarHBondContact CE2-OH 3.41Å; P181-Y185 HydrophobicContact CG-CD1 4.22Å; P181-Y185 WeakPolarHBondContact O-CE1 3.45Å; P183-Y185 HydrophobicContact CB-CD2 4.25Å; P183-Y185 HydrophobicContact CB-CE2 3.99Å |
| 186 | P | 55.9 | Low | 58.7 | Low | 60 Ų | 60 | 71.1 Ų | 71.1 | 39% | 0.39 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 145.1 | 175.8 | 23.8 | -32.1 | 0 | 0 | 0 | 109.7 | E188 C189 | P186-E188 PolarHBondContact O-N 2.84Å; P186-C189 HydrophobicContact CG-CB 4.48Å; P186-C189 VanDerWaalsContact O-CB 3.25Å; P186-C189 WeakPolarHBondContact O-CB 3.37Å; P186-C189 PolarHBondContact O-N 2.71Å |
| 187 | D | 48.9 | Very low | 58.1 | Low | 119 Ų | 119 | 70.3 Ų | 70.3 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -54.4 | -21.2 | 178.7 | -63.2 | -39 | 0 | 0 | 0 | 112.3 | C189 V190 | D187-C189 VanDerWaalsContact C-N 3.34Å; D187-C189 PolarHBondContact O-N 3.24Å; D187-V190 WeakPolarHBondContact O-CB 3.29Å; D187-V190 WeakPolarHBondContact O-CG2 3.4Å; D187-V190 PolarHBondContact O-N 3.33Å |
| 188 | E | 45.4 | Very low | 57.1 | Low | 137 Ų | 137 | 71.2 Ų | 71.2 | 64% | 0.64 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -69 | -27.9 | 174.7 | -64.8 | 176.7 | 170.7 | 0 | 0 | 113.6 | P186 V190 L191 M192 | P186-E188 PolarHBondContact O-N 2.84Å; E188-V190 PolarHBondContact O-N 3.24Å; E188-L191 PolarHBondContact O-N 3.11Å; E188-M192 PolarHBondContact O-N 3.46Å; E188-M192 VanDerWaalsContact O-N 3.13Å |
| 189 | C | 48.3 | Very low | 55.9 | Low | 13 Ų | 13 | 72.7 Ų | 72.7 | 9% | 0.088 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.9 | -29.4 | 173.7 | -87.2 | 0 | 0 | 0 | 0 | 112.6 | P186 D187 C196 | P186-C189 HydrophobicContact CG-CB 4.48Å; P186-C189 VanDerWaalsContact O-CB 3.25Å; P186-C189 WeakPolarHBondContact O-CB 3.37Å; P186-C189 PolarHBondContact O-N 2.71Å; D187-C189 VanDerWaalsContact C-N 3.34Å; D187-C189 PolarHBondContact O-N 3.24Å; C189-C196 HydrophobicContact CB-CB 3.64Å; C189-C196 WeakPolarHBondContact CB-SG 3.24Å; C189-C196 VanDerWaalsContact SG-CA 3.53Å; C189-C196 WeakPolarHBondContact SG-CB 3.44Å; C189-C196 CovalentContact SG-SG 2.03Å; C189-C196 PolarHBondContact SG-SG 3.31Å |
| 190 | V | 46.8 | Very low | 54.8 | Low | 31 Ų | 31 | 74 Ų | 74 | 19% | 0.188 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.7 | -49.2 | 176.3 | 178.4 | 0 | 0 | 0 | 0 | 110 | D187 E188 M192 S423 D424 | D187-V190 WeakPolarHBondContact O-CB 3.29Å; D187-V190 WeakPolarHBondContact O-CG2 3.4Å; D187-V190 PolarHBondContact O-N 3.33Å; E188-V190 PolarHBondContact O-N 3.24Å; V190-M192 VanDerWaalsContact C-N 3.3Å; V190-M192 PolarHBondContact O-N 3.26Å; V190-S423 WeakPolarHBondContact CB-O 3.31Å; V190-S423 WeakPolarHBondContact CG1-O 3.44Å; V190-S423 WeakPolarHBondContact CG2-O 3.48Å; V190-D424 HydrophobicContact CG1-CB 4.21Å; V190-D424 WeakPolarHBondContact CG1-OD1 3.48Å |
| 191 | L | 46.9 | Very low | 53.5 | Low | 161 Ų | 161 | 80.1 Ų | 80.1 | 84% | 0.843 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -73.8 | -25 | -174.1 | -139 | 82.1 | 0 | 0 | 0 | 112.4 | E188 | E188-L191 PolarHBondContact O-N 3.11Å |
| 192 | M | 45.5 | Very low | 52.5 | Low | 103 Ų | 103 | 81.7 Ų | 81.7 | 51% | 0.507 | 43% | 0.434 | S | S | . | . | trans | -144.6 | 94.6 | -168 | -150.3 | 168.5 | 144.9 | 0 | 0 | 110.8 | E188 V190 S194 V195 | E188-M192 PolarHBondContact O-N 3.46Å; E188-M192 VanDerWaalsContact O-N 3.13Å; V190-M192 VanDerWaalsContact C-N 3.3Å; V190-M192 PolarHBondContact O-N 3.26Å; M192-S194 WeakPolarHBondContact CE-OG 3.43Å; M192-S194 WeakPolarHBondContact CG-OG 3.38Å; M192-S194 PolarHBondContact O-N 2.74Å; M192-V195 HydrophobicContact CB-CB 4.26Å; M192-V195 HydrophobicContact CB-CG2 3.7Å; M192-V195 HydrophobicContact CE-CG2 4.18Å; M192-V195 HydrophobicContact CG-CG2 3.92Å; M192-V195 WeakPolarHBondContact O-CB 3.4Å; M192-V195 PolarHBondContact O-N 3.26Å; M192-V195 HydrophobicContact SD-CG2 3.86Å | ||
| 193 | K | 55.2 | Low | 51.6 | Low | 158 Ų | 158 | 80.6 Ų | 80.6 | 69% | 0.687 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -51.3 | -28.5 | 174.1 | -74.9 | -172.9 | 176.6 | -176.1 | 0 | 113.3 | V195 C197 | K193-V195 VanDerWaalsContact C-N 3.31Å; K193-V195 PolarHBondContact O-N 2.75Å; K193-C197 CarbonylContact O-C 3.58Å; K193-C197 WeakPolarHBondContact O-CA 3.2Å; K193-C197 WeakPolarHBondContact O-CB 3.16Å; K193-C197 PolarHBondContact O-N 2.96Å |
| 194 | S | 51.5 | Low | 50.7 | Low | 51 Ų | 51 | 85.3 Ų | 85.3 | 36% | 0.357 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -73.4 | -17.7 | 176.7 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | M192 P198 | M192-S194 WeakPolarHBondContact CE-OG 3.43Å; M192-S194 WeakPolarHBondContact CG-OG 3.38Å; M192-S194 PolarHBondContact O-N 2.74Å; S194-P198 VanDerWaalsContact O-CA 3.32Å; S194-P198 WeakPolarHBondContact O-CA 3.35Å |
| 195 | V | 55.7 | Low | 49.7 | Very low | 68 Ų | 68 | 85.4 Ų | 85.4 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -79.4 | -43.4 | 173.6 | 174.9 | 0 | 0 | 0 | 0 | 110 | M192 K193 | M192-V195 HydrophobicContact CB-CB 4.26Å; M192-V195 HydrophobicContact CB-CG2 3.7Å; M192-V195 HydrophobicContact CE-CG2 4.18Å; M192-V195 HydrophobicContact CG-CG2 3.92Å; M192-V195 WeakPolarHBondContact O-CB 3.4Å; M192-V195 PolarHBondContact O-N 3.26Å; M192-V195 HydrophobicContact SD-CG2 3.86Å; K193-V195 VanDerWaalsContact C-N 3.31Å; K193-V195 PolarHBondContact O-N 2.75Å |
| 196 | C | 56.9 | Low | 48.6 | Very low | 17 Ų | 17 | 95 Ų | 95 | 12% | 0.115 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -78.9 | -35.4 | 177.8 | -119.2 | 0 | 0 | 0 | 0 | 113.4 | F180 C189 | F180-C196 WeakPolarHBondContact CB-O 3.26Å; C189-C196 HydrophobicContact CB-CB 3.64Å; C189-C196 WeakPolarHBondContact CB-SG 3.24Å; C189-C196 VanDerWaalsContact SG-CA 3.53Å; C189-C196 WeakPolarHBondContact SG-CB 3.44Å; C189-C196 CovalentContact SG-SG 2.03Å; C189-C196 PolarHBondContact SG-SG 3.31Å |
| 197 | C | 60.2 | Low | 47.6 | Very low | 31 Ų | 31 | 97.4 Ų | 97.4 | 21% | 0.209 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -125.4 | 84.7 | 178.6 | -52.5 | 0 | 0 | 0 | 0 | 109.2 | C175 K193 | C175-C197 WeakPolarHBondContact CA-SG 3.48Å; C175-C197 HydrophobicContact CB-CB 3.67Å; C175-C197 WeakPolarHBondContact CB-SG 3.44Å; C175-C197 WeakPolarHBondContact SG-CB 3.47Å; C175-C197 CovalentContact SG-SG 2.03Å; C175-C197 PolarHBondContact SG-SG 3.28Å; K193-C197 CarbonylContact O-C 3.58Å; K193-C197 WeakPolarHBondContact O-CA 3.2Å; K193-C197 WeakPolarHBondContact O-CB 3.16Å; K193-C197 PolarHBondContact O-N 2.96Å |
| 198 | P | 54.2 | Low | 46.9 | Very low | 37 Ų | 37 | 98.1 Ų | 98.1 | 24% | 0.24 | 49% | 0.494 | C | S | . | . | trans | -58.2 | 135 | 179.8 | 17.2 | -25.5 | 0 | 0 | 0 | 110.4 | S194 L202 M203 | S194-P198 VanDerWaalsContact O-CA 3.32Å; S194-P198 WeakPolarHBondContact O-CA 3.35Å; P198-L202 HydrophobicContact CB-CB 4.39Å; P198-M203 HydrophobicContact CB-CG 4.42Å; P198-M203 HydrophobicContact CG-CE 3.64Å; P198-M203 HydrophobicContact CG-CG 4.05Å | ||
| 199 | P | 50.1 | Low | 46.2 | Very low | 61 Ų | 61 | 95.6 Ų | 95.6 | 40% | 0.396 | 49% | 0.491 | S | S | . | . | trans | -50.1 | 144.9 | 179.6 | -26.4 | 31.5 | 0 | 0 | 0 | 111.1 | L201 L202 M203 | P199-L201 PolarHBondContact O-N 2.87Å; P199-L202 HydrophobicContact CG-CD1 4Å; P199-L202 WeakPolarHBondContact O-CA 3.47Å; P199-L202 PolarHBondContact O-N 3.35Å; P199-M203 PolarHBondContact O-N 3.5Å | ||
| 200 | K | 47.3 | Very low | 45.4 | Very low | 164 Ų | 164 | 99.4 Ų | 99.4 | 71% | 0.713 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -28.8 | -179.7 | -68.8 | 179.7 | 178.7 | 175.2 | 0 | 114 | N204 | K200-N204 PolarHBondContact O-ND2 3.44Š|
| 201 | L | 44.8 | Very low | 44.9 | Very low | 144 Ų | 144 | 105 Ų | 105 | 75% | 0.754 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -32 | 176 | -118.8 | 82.9 | 0 | 0 | 0 | 114.2 | P199 N204 | P199-L201 PolarHBondContact O-N 2.87Å; L201-N204 PolarHBondContact O-N 3.48Å |
| 202 | L | 46.5 | Very low | 44.2 | Very low | 81 Ų | 81 | 101.1 Ų | 101.1 | 42% | 0.424 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -22 | 179.8 | -89.8 | 160 | 0 | 0 | 0 | 112.8 | P198 P199 N204 I207 | P198-L202 HydrophobicContact CB-CB 4.39Å; P199-L202 HydrophobicContact CG-CD1 4Å; P199-L202 WeakPolarHBondContact O-CA 3.47Å; P199-L202 PolarHBondContact O-N 3.35Å; L202-N204 VanDerWaalsContact C-N 3.28Å; L202-I207 HydrophobicContact CD2-CD1 3.61Å |
| 203 | M | 45.7 | Very low | 43.5 | Very low | 76 Ų | 76 | 104 Ų | 104 | 37% | 0.374 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -22.7 | 167.9 | -73.5 | -169.8 | 177 | 0 | 0 | 112.7 | M179 P198 P199 | M179-M203 HydrophobicContact CB-CE 3.98Å; P198-M203 HydrophobicContact CB-CG 4.42Å; P198-M203 HydrophobicContact CG-CE 3.64Å; P198-M203 HydrophobicContact CG-CG 4.05Å; P199-M203 PolarHBondContact O-N 3.5Å |
| 204 | N | 43.8 | Very low | 42.4 | Very low | 116 Ų | 116 | 106.3 Ų | 106.3 | 62% | 0.62 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -20.5 | 178.5 | -65.6 | -31.1 | 0 | 0 | 0 | 113.1 | K200 L201 L202 | K200-N204 PolarHBondContact O-ND2 3.44Å; L201-N204 PolarHBondContact O-N 3.48Å; L202-N204 VanDerWaalsContact C-N 3.28Å |
| 205 | L | 38.1 | Very low | 41.5 | Very low | 117 Ų | 117 | 111.4 Ų | 111.4 | 61% | 0.613 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 129.2 | 163.1 | -98.9 | 70.2 | 0 | 0 | 0 | 106.8 | I207 | L205-I207 HydrophobicContact CB-CG1 4.44Å; L205-I207 PolarHBondContact O-N 3.01Å |
| 206 | R | 32.5 | Very low | 40.2 | Very low | 249 Ų | 249 | 116.9 Ų | 116.9 | 94% | 0.94 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 80.7 | 168.9 | -76.5 | 178.9 | -178.5 | 170.8 | -0.1 | 110.3 | ||
| 207 | I | 35.4 | Very low | 39.1 | Very low | 111 Ų | 111 | 123 Ų | 123 | 57% | 0.569 | 64% | 0.636 | S | S | * | * | trans | -97.8 | 95.6 | 158.9 | -55.6 | -167.5 | 0 | 0 | 0 | 105.2 | L202 L205 C209 | L202-I207 HydrophobicContact CD2-CD1 3.61Å; L205-I207 HydrophobicContact CB-CG1 4.44Å; L205-I207 PolarHBondContact O-N 3.01Å; I207-C209 PolarHBondContact O-N 3.42Å | ||
| 208 | I | 34.6 | Very low | 37.6 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 69% | 0.687 | 67% | 0.665 | S | S | * | * | trans | -36.4 | 117.9 | 159.8 | -63.1 | 160.1 | 0 | 0 | 0 | 107 | P210 | I208-P210 VanDerWaalsContact O-N 3.16Š| ||
| 209 | C | 29.4 | Very low | 36.6 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 57% | 0.568 | 69% | 0.69 | S | S | * | * | trans | -50.5 | 125.7 | 166.2 | -66.9 | 0 | 0 | 0 | 0 | 106.6 | I207 D211 | I207-C209 PolarHBondContact O-N 3.42Å; C209-D211 PolarHBondContact O-N 2.82Å | ||
| 210 | P | 32.8 | Very low | 35.7 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 60% | 0.604 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -77 | 66.5 | -169.6 | 32.8 | -35 | 0 | 0 | 0 | 110.4 | I208 M213 | I208-P210 VanDerWaalsContact O-N 3.16Å; P210-M213 HydrophobicContact CB-CB 4.34Å; P210-M213 HydrophobicContact CB-SD 4.47Å |
| 211 | D | 34.9 | Very low | 34.9 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -86 | 10.4 | 162.2 | -74.6 | -8.9 | 0 | 0 | 0 | 110.9 | C209 | C209-D211 PolarHBondContact O-N 2.82Š|
| 212 | A | 32.6 | Very low | 34.3 | Very low | 80 Ų | 80 | 132.4 Ų | 132.4 | 66% | 0.661 | 73% | 0.727 | S | S | * | * | trans | -123.1 | 16.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F214 | A212-F214 VanDerWaalsContact C-N 3.32Å; A212-F214 PolarHBondContact O-N 3.34Å | ||
| 213 | M | 31.8 | Very low | 33.5 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 80% | 0.803 | 75% | 0.747 | S | S | * | * | trans | -96.4 | 46 | -173.5 | -154 | 153.6 | 167.6 | 0 | 0 | 113.4 | P210 | P210-M213 HydrophobicContact CB-CB 4.34Å; P210-M213 HydrophobicContact CB-SD 4.47Å | ||
| 214 | F | 32.1 | Very low | 32.7 | Very low | 207 Ų | 207 | 142.1 Ų | 142.1 | 91% | 0.908 | 77% | 0.771 | S | S | * | * | trans | -139.5 | 67.9 | 161.7 | -102.3 | -84 | 0 | 0 | 0 | 107.9 | A212 | A212-F214 VanDerWaalsContact C-N 3.32Å; A212-F214 PolarHBondContact O-N 3.34Å | ||
| 215 | D | 31.5 | Very low | 32.1 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -160.8 | 138.1 | 148.6 | -111.9 | -27.6 | 0 | 0 | 0 | 112.8 | ||
| 216 | H | 29.9 | Very low | 31.8 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | -57.1 | 124.2 | -174.7 | -84.4 | -97.6 | 0 | 0 | 0 | 114.8 | ||||
| 217 | N | 32.1 | Very low | 31.7 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | 169.5 | 120 | 121.7 | -119.8 | -26.4 | 0 | 0 | 0 | 112.3 | A219 | N217-A219 PolarHBondContact O-N 2.9Š| |||
| 218 | P | 28.4 | Very low | 31.6 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -96.4 | 88.5 | 171.8 | 34.9 | -24.8 | 0 | 0 | 0 | 109.9 | ||||
| 219 | A | 34.1 | Very low | 31.6 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -155.2 | 5.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | N217 | N217-A219 PolarHBondContact O-N 2.9Š| ||
| 220 | A | 31 | Very low | 32 | Very low | 102 Ų | 102 | 135 Ų | 135 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -128.2 | 63.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 221 | M | 29.8 | Very low | 32.3 | Very low | 195 Ų | 195 | 133.7 Ų | 133.7 | 96% | 0.961 | 78% | 0.779 | S | S | * | * | trans | -105.5 | 97.1 | 157.6 | -96 | 174.1 | 73.3 | 0 | 0 | 108.2 | ||||
| 222 | S | 32.8 | Very low | 32.5 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -127.9 | 116 | 163.9 | -179.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 223 | N | 29.2 | Very low | 32.8 | Very low | 159 Ų | 159 | 132.6 Ų | 132.6 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -29.7 | 121.5 | 170.6 | -66.9 | -29.6 | 0 | 0 | 0 | 115.4 | ||||
| 224 | K | 29.8 | Very low | 33.1 | Very low | 202 Ų | 202 | 129.8 Ų | 129.8 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | trans | -136.7 | 101.6 | 149 | -101.8 | -179.5 | -179.9 | 175.1 | 0 | 109.3 | V226 | K224-V226 PolarHBondContact O-N 3.11Š| ||
| 225 | S | 31.2 | Very low | 33.3 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | trans | -61.8 | 115.9 | 166.4 | 49.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 226 | V | 32.1 | Very low | 33.5 | Very low | 131 Ų | 131 | 117 Ų | 117 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | trans | -92 | 126.5 | 169.5 | 173.4 | 0 | 0 | 0 | 0 | 108.6 | K224 | K224-V226 PolarHBondContact O-N 3.11Š| ||
| 227 | S | 30.5 | Very low | 33.9 | Very low | 99 Ų | 99 | 112 Ų | 112 | 69% | 0.692 | 70% | 0.702 | S | S | * | * | trans | -63.4 | 133.1 | -176.5 | -177.6 | 0 | 0 | 0 | 0 | 113 | N229 | S227-N229 PolarHBondContact O-N 3.19Š| ||
| 228 | V | 32.8 | Very low | 34.1 | Very low | 119 Ų | 119 | 109.4 Ų | 109.4 | 72% | 0.721 | 69% | 0.688 | S | S | * | * | trans | -90 | 84.7 | -178 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 229 | N | 35.1 | Very low | 34.7 | Very low | 159 Ų | 159 | 108.4 Ų | 108.4 | 85% | 0.85 | 68% | 0.679 | S | S | * | * | trans | -129.8 | 17.3 | 170.6 | -80.1 | -17.1 | 0 | 0 | 0 | 113.4 | S227 | S227-N229 PolarHBondContact O-N 3.19Š| ||
| 230 | G | 37.6 | Very low | 35 | Very low | 29 Ų | 29 | 107.8 Ų | 107.8 | 30% | 0.299 | 67% | 0.669 | S | S | . | * | trans | -123 | 23 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S232 T233 L234 | G230-S232 VanDerWaalsContact C-N 3.3Å; G230-S232 PolarHBondContact O-N 2.73Å; G230-T233 PolarHBondContact O-N 3.09Å; G230-L234 WeakPolarHBondContact O-CB 3.48Å; G230-L234 PolarHBondContact O-N 3.07Å | ||
| 231 | A | 38.9 | Very low | 35.6 | Very low | 65 Ų | 65 | 109.2 Ų | 109.2 | 54% | 0.537 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -63.6 | -28.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | A235 | A231-A235 VanDerWaalsContact O-CB 3.25Å; A231-A235 WeakPolarHBondContact O-CB 3.33Å; A231-A235 PolarHBondContact O-N 2.99Å |
| 232 | S | 39.2 | Very low | 36.2 | Very low | 101 Ų | 101 | 106 Ų | 106 | 71% | 0.706 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -78.9 | -35.9 | 179.6 | 54.6 | 0 | 0 | 0 | 0 | 113.3 | G230 G236 | G230-S232 VanDerWaalsContact C-N 3.3Å; G230-S232 PolarHBondContact O-N 2.73Å; S232-G236 PolarHBondContact O-N 3.49Å |
| 233 | T | 39.4 | Very low | 37.1 | Very low | 103 Ų | 103 | 102.3 Ų | 102.3 | 63% | 0.632 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.8 | -39.5 | 176.2 | -31.9 | 0 | 0 | 0 | 0 | 110.9 | G230 G236 T237 | G230-T233 PolarHBondContact O-N 3.09Å; T233-G236 PolarHBondContact O-N 3.37Å; T233-T237 PolarHBondContact O-N 3.22Å; T233-T237 VanDerWaalsContact O-N 3.09Å; T233-T237 PolarHBondContact O-OG1 2.85Å |
| 234 | L | 37.6 | Very low | 38.6 | Very low | 105 Ų | 105 | 100 Ų | 100 | 55% | 0.55 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.2 | -40.4 | 171.3 | -83.1 | 159.5 | 0 | 0 | 0 | 111.2 | G230 G236 T237 L238 | G230-L234 WeakPolarHBondContact O-CB 3.48Å; G230-L234 PolarHBondContact O-N 3.07Å; L234-G236 VanDerWaalsContact C-N 3.31Å; L234-G236 PolarHBondContact O-N 3.48Å; L234-T237 PolarHBondContact O-N 2.73Å; L234-L238 HydrophobicContact CB-CD1 3.98Å; L234-L238 WeakPolarHBondContact O-CA 3.37Å; L234-L238 WeakPolarHBondContact O-CB 3.22Å; L234-L238 WeakPolarHBondContact O-CD1 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.41Å; L234-L238 PolarHBondContact O-N 3.37Å |
| 235 | A | 35.9 | Very low | 40.6 | Very low | 50 Ų | 50 | 92.1 Ų | 92.1 | 41% | 0.413 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.4 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A231 L238 V239 | A231-A235 VanDerWaalsContact O-CB 3.25Å; A231-A235 WeakPolarHBondContact O-CB 3.33Å; A231-A235 PolarHBondContact O-N 2.99Å; A235-L238 PolarHBondContact O-N 3.22Å; A235-V239 WeakPolarHBondContact O-CB 3.37Å; A235-V239 WeakPolarHBondContact O-CG2 3.46Å; A235-V239 PolarHBondContact O-N 2.84Å |
| 236 | G | 36.2 | Very low | 43.1 | Very low | 47 Ų | 47 | 87.9 Ų | 87.9 | 49% | 0.485 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.7 | -36 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S232 T233 L234 S240 | S232-G236 PolarHBondContact O-N 3.49Å; T233-G236 PolarHBondContact O-N 3.37Å; L234-G236 VanDerWaalsContact C-N 3.31Å; L234-G236 PolarHBondContact O-N 3.48Å; G236-S240 PolarHBondContact O-OG 2.79Å |
| 237 | T | 38.2 | Very low | 45.6 | Very low | 76 Ų | 76 | 83 Ų | 83 | 47% | 0.466 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -81.7 | -25.5 | 176 | -39.1 | 0 | 0 | 0 | 0 | 112.9 | T233 L234 S240 N241 | T233-T237 PolarHBondContact O-N 3.22Å; T233-T237 VanDerWaalsContact O-N 3.09Å; T233-T237 PolarHBondContact O-OG1 2.85Å; L234-T237 PolarHBondContact O-N 2.73Å; T237-S240 VanDerWaalsContact CA-OG 3.27Å; T237-S240 WeakPolarHBondContact CA-OG 3.32Å; T237-S240 PolarHBondContact O-OG 3.19Å; T237-S240 VanDerWaalsContact O-OG 3.09Å; T237-N241 PolarHBondContact O-N 3.33Å |
| 238 | L | 37.3 | Very low | 48.2 | Very low | 93 Ų | 93 | 86.8 Ų | 86.8 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -78.1 | -35.1 | 177 | -74.5 | 161.7 | 0 | 0 | 0 | 111.3 | L234 A235 S240 N241 M242 | L234-L238 HydrophobicContact CB-CD1 3.98Å; L234-L238 WeakPolarHBondContact O-CA 3.37Å; L234-L238 WeakPolarHBondContact O-CB 3.22Å; L234-L238 WeakPolarHBondContact O-CD1 3.3Å; L234-L238 WeakPolarHBondContact O-CG 3.41Å; L234-L238 PolarHBondContact O-N 3.37Å; A235-L238 PolarHBondContact O-N 3.22Å; L238-S240 VanDerWaalsContact C-N 3.32Å; L238-N241 PolarHBondContact O-N 3.29Å; L238-M242 WeakPolarHBondContact O-CG 3.25Å; L238-M242 PolarHBondContact O-N 3.18Å |
| 239 | V | 40.7 | Very low | 50.8 | Low | 106 Ų | 106 | 83.2 Ų | 83.2 | 64% | 0.642 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.5 | -29.5 | 173.4 | 170.4 | 0 | 0 | 0 | 0 | 112 | A235 | A235-V239 WeakPolarHBondContact O-CB 3.37Å; A235-V239 WeakPolarHBondContact O-CG2 3.46Å; A235-V239 PolarHBondContact O-N 2.84Å |
| 240 | S | 38.9 | Very low | 53.2 | Low | 80 Ų | 80 | 75.7 Ų | 75.7 | 56% | 0.559 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -79 | -23.6 | 177.7 | 32.8 | 0 | 0 | 0 | 0 | 113.9 | G236 T237 L238 | G236-S240 PolarHBondContact O-OG 2.79Å; T237-S240 VanDerWaalsContact CA-OG 3.27Å; T237-S240 WeakPolarHBondContact CA-OG 3.32Å; T237-S240 PolarHBondContact O-OG 3.19Å; T237-S240 VanDerWaalsContact O-OG 3.09Å; L238-S240 VanDerWaalsContact C-N 3.32Å |
| 241 | N | 44.7 | Very low | 55.6 | Low | 132 Ų | 132 | 75.3 Ų | 75.3 | 71% | 0.706 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -90 | -8.1 | 172.4 | -81 | -38.5 | 0 | 0 | 0 | 114 | T237 L238 A243 | T237-N241 PolarHBondContact O-N 3.33Å; L238-N241 PolarHBondContact O-N 3.29Å; N241-A243 PolarHBondContact O-N 3.43Å |
| 242 | M | 42.7 | Very low | 57.9 | Low | 128 Ų | 128 | 74.1 Ų | 74.1 | 63% | 0.631 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -75.9 | 65.8 | 157.3 | -65.4 | -169.3 | 78.8 | 0 | 0 | 108.4 | L238 T244 | L238-M242 WeakPolarHBondContact O-CG 3.25Å; L238-M242 PolarHBondContact O-N 3.18Å; M242-T244 VanDerWaalsContact C-N 3.26Å; M242-T244 PolarHBondContact O-N 3.49Å |
| 243 | A | 50.8 | Low | 60.2 | Low | 40 Ų | 40 | 72.3 Ų | 72.3 | 33% | 0.331 | 42% | 0.417 | S | S | . | . | trans | -59.2 | 97.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | N241 V245 | N241-A243 PolarHBondContact O-N 3.43Å; A243-V245 PolarHBondContact O-N 3.17Å | ||
| 244 | T | 61.1 | Low | 62.6 | Low | 111 Ų | 111 | 67.4 Ų | 67.4 | 68% | 0.681 | 39% | 0.388 | S | S | * | . | trans | -45.7 | 130.8 | 172 | 44 | 0 | 0 | 0 | 0 | 107.3 | M242 S246 N249 | M242-T244 VanDerWaalsContact C-N 3.26Å; M242-T244 PolarHBondContact O-N 3.49Å; T244-S246 VanDerWaalsContact C-N 3.31Å; T244-S246 PolarHBondContact O-N 3Å; T244-N249 PolarHBondContact O-ND2 2.96Å | ||
| 245 | V | 72.8 | Confident | 65.2 | Low | 36 Ų | 36 | 67.7 Ų | 67.7 | 22% | 0.218 | 38% | 0.381 | C | S | . | . | trans | -58.4 | 102.5 | 179.2 | -179.2 | 0 | 0 | 0 | 0 | 106.5 | A172 F173 A243 I250 | A172-V245 HydrophobicContact CB-CG1 3.95Å; A172-V245 WeakPolarHBondContact O-CG2 3.33Å; F173-V245 HydrophobicContact CD1-CB 4.46Å; F173-V245 HydrophobicContact CD1-CG1 3.69Å; F173-V245 HydrophobicContact CE1-CB 4.36Å; F173-V245 HydrophobicContact CE1-CG1 3.57Å; F173-V245 HydrophobicContact CE2-CG1 4.39Å; F173-V245 HydrophobicContact CG-CG1 4.15Å; F173-V245 HydrophobicContact CZ-CG1 3.9Å; A243-V245 PolarHBondContact O-N 3.17Å; V245-I250 HydrophobicContact CG1-CD1 3.87Å; V245-I250 HydrophobicContact CG1-CG1 4.37Å | ||
| 246 | S | 83.5 | Confident | 67.8 | Low | 35 Ų | 35 | 68.9 Ų | 68.9 | 25% | 0.245 | 38% | 0.38 | C | S | . | . | trans | -124.9 | 148.7 | -176.7 | 76.7 | 0 | 0 | 0 | 0 | 107.8 | T244 W248 N249 I250 | T244-S246 VanDerWaalsContact C-N 3.31Å; T244-S246 PolarHBondContact O-N 3Å; S246-W248 PolarHBondContact O-N 2.59Å; S246-W248 VanDerWaalsContact O-N 3.17Å; S246-N249 PolarHBondContact O-N 3.1Å; S246-N249 WeakPolarHBondContact OG-CB 3.39Å; S246-N249 PolarHBondContact OG-N 3.41Å; S246-N249 PolarHBondContact OG-ND2 3.42Å; S246-I250 WeakPolarHBondContact O-CG1 3.38Å; S246-I250 PolarHBondContact O-N 2.89Å | ||
| 247 | I | 84.3 | Confident | 70.4 | Confident | 28 Ų | 28 | 67.1 Ų | 67.1 | 14% | 0.144 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -51.8 | -41.7 | 177.5 | -63.1 | 172.4 | 0 | 0 | 0 | 110.1 | N249 I250 M251 F376 I379 V380 | I247-N249 PolarHBondContact O-N 3.21Å; I247-I250 PolarHBondContact O-N 2.96Å; I247-M251 HydrophobicContact CG2-CG 4.15Å; I247-M251 HydrophobicContact CG2-SD 3.83Å; I247-M251 WeakPolarHBondContact O-CB 3.15Å; I247-M251 VanDerWaalsContact O-CG 3.22Å; I247-M251 WeakPolarHBondContact O-CG 3.16Å; I247-M251 PolarHBondContact O-N 3.33Å; I247-F376 HydrophobicContact CG2-CD2 4Å; I247-F376 HydrophobicContact CG2-CE2 4.19Å; I247-I379 HydrophobicContact CB-CG2 4.36Å; I247-I379 HydrophobicContact CG1-CG2 4.24Å; I247-I379 HydrophobicContact CG2-CG2 3.97Å; I247-V380 HydrophobicContact CD1-CG2 3.98Å |
| 248 | W | 85.2 | Confident | 73 | Confident | 179 Ų | 179 | 63.5 Ų | 63.5 | 68% | 0.678 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.5 | -41.5 | 179.8 | -172 | -94.8 | 0 | 0 | 0 | 113.2 | S246 M251 S252 | S246-W248 PolarHBondContact O-N 2.59Å; S246-W248 VanDerWaalsContact O-N 3.17Å; W248-M251 PolarHBondContact O-N 2.96Å; W248-S252 WeakPolarHBondContact O-CB 3.34Å; W248-S252 PolarHBondContact O-N 3.19Å; W248-S252 PolarHBondContact O-OG 2.78Å |
| 249 | N | 86.1 | Confident | 75.7 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.8 | -38.8 | 179.4 | -63.3 | -24.9 | 0 | 0 | 0 | 110.6 | L178 T244 S246 I247 S252 K253 | L178-N249 HydrophobicContact CD1-CB 3.3Å; T244-N249 PolarHBondContact O-ND2 2.96Å; S246-N249 PolarHBondContact O-N 3.1Å; S246-N249 WeakPolarHBondContact OG-CB 3.39Å; S246-N249 PolarHBondContact OG-N 3.41Å; S246-N249 PolarHBondContact OG-ND2 3.42Å; I247-N249 PolarHBondContact O-N 3.21Å; N249-S252 WeakPolarHBondContact O-CB 3.23Å; N249-S252 PolarHBondContact O-N 3.42Å; N249-K253 PolarHBondContact O-N 3.21Å |
| 250 | I | 85.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 173.2 | -59.9 | 169 | 0 | 0 | 0 | 110.7 | T169 A172 F173 L178 V245 S246 I247 S252 K253 V254 I379 | T169-I250 HydrophobicContact CG2-CD1 4.25Å; A172-I250 HydrophobicContact CB-CD1 4.09Å; A172-I250 HydrophobicContact CB-CG1 3.99Å; F173-I250 HydrophobicContact CD2-CD1 4.49Å; F173-I250 HydrophobicContact CE2-CD1 3.78Å; F173-I250 HydrophobicContact CZ-CD1 4.04Å; L178-I250 HydrophobicContact CD2-CG1 4.06Å; V245-I250 HydrophobicContact CG1-CD1 3.87Å; V245-I250 HydrophobicContact CG1-CG1 4.37Å; S246-I250 WeakPolarHBondContact O-CG1 3.38Å; S246-I250 PolarHBondContact O-N 2.89Å; I247-I250 PolarHBondContact O-N 2.96Å; I250-S252 PolarHBondContact O-N 3.2Å; I250-S252 VanDerWaalsContact O-N 3.15Å; I250-K253 PolarHBondContact O-N 3.08Å; I250-V254 PolarHBondContact O-N 2.86Å; I250-V254 VanDerWaalsContact O-N 3.13Å; I250-I379 HydrophobicContact CB-CD1 4.24Å; I250-I379 HydrophobicContact CB-CG2 4.29Å; I250-I379 HydrophobicContact CD1-CG2 4.11Å; I250-I379 HydrophobicContact CG2-CD1 3.73Å; I250-I379 HydrophobicContact CG2-CG1 3.84Å; I250-I379 HydrophobicContact CG2-CG2 4.13Å |
| 251 | M | 88.4 | Confident | 80.7 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 11% | 0.108 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58 | -28.1 | 175.8 | -78 | -179.9 | 75.6 | 0 | 0 | 113.2 | I247 W248 H372 K375 F376 I379 | I247-M251 HydrophobicContact CG2-CG 4.15Å; I247-M251 HydrophobicContact CG2-SD 3.83Å; I247-M251 WeakPolarHBondContact O-CB 3.15Å; I247-M251 VanDerWaalsContact O-CG 3.22Å; I247-M251 WeakPolarHBondContact O-CG 3.16Å; I247-M251 PolarHBondContact O-N 3.33Å; W248-M251 PolarHBondContact O-N 2.96Å; M251-H372 HydrophobicContact CE-CB 4.49Å; M251-K375 HydrophobicContact CE-CD 4.33Å; M251-K375 HydrophobicContact CE-CG 4.11Å; M251-K375 HydrophobicContact CG-CD 4.47Å; M251-K375 HydrophobicContact CG-CG 4.27Å; M251-K375 PolarHBondContact O-NZ 2.97Å; M251-K375 VanDerWaalsContact O-NZ 3.09Å; M251-F376 HydrophobicContact CE-CB 4.26Å; M251-F376 HydrophobicContact SD-CB 4.37Å; M251-F376 HydrophobicContact SD-CD2 4.11Å; M251-I379 HydrophobicContact CB-CD1 4.17Å; M251-I379 HydrophobicContact CG-CD1 3.33Å |
| 252 | S | 87.8 | Confident | 82.9 | Confident | 40 Ų | 40 | 48.6 Ų | 48.6 | 28% | 0.28 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -80.5 | -35.9 | 176.3 | -62.5 | 0 | 0 | 0 | 0 | 112 | W248 N249 I250 R255 | W248-S252 WeakPolarHBondContact O-CB 3.34Å; W248-S252 PolarHBondContact O-N 3.19Å; W248-S252 PolarHBondContact O-OG 2.78Å; N249-S252 WeakPolarHBondContact O-CB 3.23Å; N249-S252 PolarHBondContact O-N 3.42Å; I250-S252 PolarHBondContact O-N 3.2Å; I250-S252 VanDerWaalsContact O-N 3.15Å; S252-R255 VanDerWaalsContact O-CB 3.24Å; S252-R255 WeakPolarHBondContact O-CB 3.17Å; S252-R255 PolarHBondContact O-N 3.36Å; S252-R255 PolarHBondContact OG-NH2 3.47Å |
| 253 | K | 86.5 | Confident | 85.3 | Confident | 62 Ų | 62 | 43 Ų | 43 | 27% | 0.27 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.3 | -41.6 | 176.2 | -176.3 | 58.5 | 173.9 | 155.6 | 0 | 112.4 | V168 L178 E182 N249 I250 R255 | V168-K253 HydrophobicContact CG1-CG 4Å; L178-K253 HydrophobicContact CD2-CB 4.45Å; E182-K253 IonicContact OE1-NZ 3.55Å; E182-K253 PolarHBondContact OE1-NZ 3.45Å; N249-K253 PolarHBondContact O-N 3.21Å; I250-K253 PolarHBondContact O-N 3.08Å; K253-R255 VanDerWaalsContact C-N 3.31Å; K253-R255 PolarHBondContact O-N 3.37Å |
| 254 | V | 90 | Very high | 87.3 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 12 | 178.9 | -56.4 | 0 | 0 | 0 | 0 | 114.3 | I165 V168 I250 E257 S258 K375 | I165-V254 HydrophobicContact CG1-CB 4.34Å; I165-V254 HydrophobicContact CG1-CG1 4.48Å; I165-V254 HydrophobicContact CG1-CG2 4.23Å; V168-V254 HydrophobicContact CB-CG1 3.74Å; V168-V254 HydrophobicContact CG1-CG1 3.59Å; V168-V254 HydrophobicContact CG2-CG1 3.96Å; I250-V254 PolarHBondContact O-N 2.86Å; I250-V254 VanDerWaalsContact O-N 3.13Å; V254-E257 VanDerWaalsContact C-OE2 3.22Å; V254-E257 WeakPolarHBondContact CA-OE2 3.15Å; V254-S258 VanDerWaalsContact O-CB 3.3Å; V254-S258 WeakPolarHBondContact O-CB 3.38Å; V254-S258 PolarHBondContact O-N 2.94Å; V254-S258 VanDerWaalsContact O-N 3.16Å; V254-S258 PolarHBondContact O-OG 3.5Å; V254-K375 HydrophobicContact CG2-CD 4.38Å |
| 255 | R | 92.3 | Very high | 88.6 | Confident | 110 Ų | 110 | 36.1 Ų | 36.1 | 42% | 0.415 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66.9 | -43 | -168.6 | -176.3 | -173 | -59.9 | 167.8 | 1.9 | 111.7 | S252 K253 S258 I259 | S252-R255 VanDerWaalsContact O-CB 3.24Å; S252-R255 WeakPolarHBondContact O-CB 3.17Å; S252-R255 PolarHBondContact O-N 3.36Å; S252-R255 PolarHBondContact OG-NH2 3.47Å; K253-R255 VanDerWaalsContact C-N 3.31Å; K253-R255 PolarHBondContact O-N 3.37Å; R255-S258 PolarHBondContact O-N 2.91Å; R255-I259 HydrophobicContact CG-CD1 3.58Å; R255-I259 HydrophobicContact CG-CG1 4.28Å; R255-I259 WeakPolarHBondContact O-CB 3.43Å; R255-I259 VanDerWaalsContact O-CG1 3.23Å; R255-I259 WeakPolarHBondContact O-CG1 3.3Å; R255-I259 PolarHBondContact O-N 3.43Å |
| 256 | L | 90.7 | Very high | 89.4 | Confident | 75 Ų | 75 | 34.4 Ų | 34.4 | 39% | 0.393 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -65.8 | -49.6 | -173 | -176.2 | 63 | 0 | 0 | 0 | 110.4 | S258 I259 M260 | L256-S258 PolarHBondContact O-N 2.86Å; L256-I259 PolarHBondContact O-N 3.36Å; L256-M260 HydrophobicContact CD1-CG 4.33Å; L256-M260 WeakPolarHBondContact O-CB 3.34Å; L256-M260 VanDerWaalsContact O-CG 3.25Å; L256-M260 WeakPolarHBondContact O-CG 3.46Å; L256-M260 PolarHBondContact O-N 2.89Å |
| 257 | E | 91.6 | Very high | 89.7 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 5% | 0.051 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.2 | -47.4 | 177.4 | -60.9 | 81.6 | -174.4 | 0 | 0 | 110.8 | W135 W139 L161 V254 M260 W261 | W135-E257 HydrophobicContact CZ2-CG 4.32Å; W135-E257 PolarHBondContact NE1-OE1 3.07Å; W139-E257 HydrophobicContact CD2-CB 3.87Å; W139-E257 HydrophobicContact CD2-CG 4.24Å; W139-E257 HydrophobicContact CE3-CB 4.48Å; W139-E257 HydrophobicContact CG-CB 4.07Å; W139-E257 HydrophobicContact CG-CG 4.28Å; W139-E257 HydrophobicContact CZ2-CB 4.17Å; W139-E257 HydrophobicContact CZ2-CG 4.16Å; W139-E257 VanDerWaalsContact NE1-CG 3.25Å; L161-E257 HydrophobicContact CD1-CB 4.5Å; V254-E257 VanDerWaalsContact C-OE2 3.22Å; V254-E257 WeakPolarHBondContact CA-OE2 3.15Å; E257-M260 PolarHBondContact O-N 3.28Å; E257-W261 VanDerWaalsContact O-CB 3.27Å; E257-W261 WeakPolarHBondContact O-CB 3.33Å; E257-W261 PolarHBondContact O-N 3.05Å |
| 258 | S | 92.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.7 | -43.8 | -180 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | V254 R255 L256 G262 T371 | V254-S258 VanDerWaalsContact O-CB 3.3Å; V254-S258 WeakPolarHBondContact O-CB 3.38Å; V254-S258 PolarHBondContact O-N 2.94Å; V254-S258 VanDerWaalsContact O-N 3.16Å; V254-S258 PolarHBondContact O-OG 3.5Å; R255-S258 PolarHBondContact O-N 2.91Å; L256-S258 PolarHBondContact O-N 2.86Å; S258-G262 PolarHBondContact O-N 3.39Å; S258-T371 WeakPolarHBondContact O-CG2 3.21Å |
| 259 | I | 93.2 | Very high | 89.6 | Confident | 47 Ų | 47 | 27 Ų | 27 | 24% | 0.241 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.7 | -44.7 | 179.9 | -67.7 | 174.4 | 0 | 0 | 0 | 110.5 | R255 L256 W261 G262 A263 A367 | R255-I259 HydrophobicContact CG-CD1 3.58Å; R255-I259 HydrophobicContact CG-CG1 4.28Å; R255-I259 WeakPolarHBondContact O-CB 3.43Å; R255-I259 VanDerWaalsContact O-CG1 3.23Å; R255-I259 WeakPolarHBondContact O-CG1 3.3Å; R255-I259 PolarHBondContact O-N 3.43Å; L256-I259 PolarHBondContact O-N 3.36Å; I259-W261 PolarHBondContact O-N 3.48Å; I259-G262 PolarHBondContact O-N 2.94Å; I259-A263 WeakPolarHBondContact O-CB 3.44Å; I259-A263 PolarHBondContact O-N 3.18Å; I259-A367 HydrophobicContact CG2-CB 4.24Å |
| 260 | M | 93.7 | Very high | 89.6 | Confident | 46 Ų | 46 | 25.8 Ų | 25.8 | 23% | 0.227 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.6 | -42.4 | 178.7 | -69.4 | -61 | 100.6 | 0 | 0 | 111.6 | C136 W139 L140 L256 E257 A263 G264 | C136-M260 HydrophobicContact CB-CG 3.91Å; C136-M260 HydrophobicContact CB-SD 3.98Å; W139-M260 HydrophobicContact CB-CB 3.8Å; L140-M260 WeakPolarHBondContact CA-O 3.37Å; L256-M260 HydrophobicContact CD1-CG 4.33Å; L256-M260 WeakPolarHBondContact O-CB 3.34Å; L256-M260 VanDerWaalsContact O-CG 3.25Å; L256-M260 WeakPolarHBondContact O-CG 3.46Å; L256-M260 PolarHBondContact O-N 2.89Å; E257-M260 PolarHBondContact O-N 3.28Å; M260-A263 PolarHBondContact O-N 3.25Å; M260-G264 PolarHBondContact O-N 2.86Å |
| 261 | W | 92.1 | Very high | 89.5 | Confident | 5 Ų | 5 | 29 Ų | 29 | 2% | 0.019 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.7 | -53.5 | 171.2 | 174.5 | -80.6 | 0 | 0 | 0 | 111.5 | W139 L142 G143 T156 Y160 L161 E257 I259 A263 G264 T265 | W139-W261 HydrophobicContact CE3-CB 4.32Å; W139-W261 AromaticContact CE3-CE3 3.82Å; W139-W261 HydrophobicContact CE3-CE3 3.82Å; W139-W261 AromaticContact CZ3-CE3 3.93Å; W139-W261 HydrophobicContact CZ3-CE3 3.93Å; W139-W261 HydrophobicContact CZ3-CZ3 4.4Å; W139-W261 WeakPolarHBondContact O-CA 3.45Å; L142-W261 HydrophobicContact CB-CE3 3.87Å; L142-W261 HydrophobicContact CB-CZ3 3.66Å; L142-W261 HydrophobicContact CD1-CZ3 4.3Å; G143-W261 WeakPolarHBondContact CA-O 3.25Å; T156-W261 HydrophobicContact CG2-CH2 4.07Å; T156-W261 WeakPolarHBondContact O-CH2 3.3Å; Y160-W261 HydrophobicContact CD2-CH2 4.05Å; Y160-W261 HydrophobicContact CD2-CZ3 4.33Å; Y160-W261 HydrophobicContact CG-CH2 4.31Å; Y160-W261 HydrophobicContact CG-CZ3 4.18Å; L161-W261 HydrophobicContact CB-CD2 4.05Å; L161-W261 HydrophobicContact CB-CE3 4.24Å; L161-W261 HydrophobicContact CB-CG 4.38Å; L161-W261 HydrophobicContact CD2-CB 3.98Å; L161-W261 HydrophobicContact CD2-CD2 4.24Å; L161-W261 HydrophobicContact CD2-CG 3.69Å; E257-W261 VanDerWaalsContact O-CB 3.27Å; E257-W261 WeakPolarHBondContact O-CB 3.33Å; E257-W261 PolarHBondContact O-N 3.05Å; I259-W261 PolarHBondContact O-N 3.48Å; W261-A263 VanDerWaalsContact C-N 3.3Å; W261-A263 PolarHBondContact O-N 3.35Å; W261-G264 WeakPolarHBondContact O-CA 3.47Å; W261-G264 PolarHBondContact O-N 3.2Å; W261-G264 VanDerWaalsContact O-N 3.1Å; W261-T265 WeakPolarHBondContact O-CG2 3.03Å; W261-T265 PolarHBondContact O-N 3.5Å |
| 262 | G | 91.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.5 | -34.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S258 I259 T265 A266 | S258-G262 PolarHBondContact O-N 3.39Å; I259-G262 PolarHBondContact O-N 2.94Å; G262-T265 PolarHBondContact O-N 2.75Å; G262-T265 PolarHBondContact O-OG1 3.42Å; G262-A266 PolarHBondContact O-N 2.75Å |
| 263 | A | 93.2 | Very high | 88.9 | Confident | 11 Ų | 11 | 26.9 Ų | 26.9 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.7 | -43 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I259 M260 W261 T265 A266 L267 L363 A367 | I259-A263 WeakPolarHBondContact O-CB 3.44Å; I259-A263 PolarHBondContact O-N 3.18Å; M260-A263 PolarHBondContact O-N 3.25Å; W261-A263 VanDerWaalsContact C-N 3.3Å; W261-A263 PolarHBondContact O-N 3.35Å; A263-T265 VanDerWaalsContact C-N 3.31Å; A263-T265 PolarHBondContact O-N 3.32Å; A263-A266 PolarHBondContact O-N 3.07Å; A263-L267 WeakPolarHBondContact O-CG 3.45Å; A263-L267 PolarHBondContact O-N 2.76Å; A263-L363 HydrophobicContact CB-CD1 3.69Å; A263-A367 HydrophobicContact CB-CB 4.15Å |
| 264 | G | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.9 | -43.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L140 V144 M260 W261 A266 L267 G268 | L140-G264 WeakPolarHBondContact O-CA 3.4Å; V144-G264 WeakPolarHBondContact CA-O 3.31Å; V144-G264 VanDerWaalsContact CG2-O 3.32Å; V144-G264 WeakPolarHBondContact CG2-O 3.36Å; V144-G264 PolarHBondContact N-O 3.11Å; M260-G264 PolarHBondContact O-N 2.86Å; W261-G264 WeakPolarHBondContact O-CA 3.47Å; W261-G264 PolarHBondContact O-N 3.2Å; W261-G264 VanDerWaalsContact O-N 3.1Å; G264-A266 VanDerWaalsContact C-N 3.33Å; G264-A266 PolarHBondContact O-N 3.46Å; G264-L267 PolarHBondContact O-N 2.76Å; G264-G268 PolarHBondContact O-N 3.14Å |
| 265 | T | 88.6 | Confident | 88.4 | Confident | 6 Ų | 6 | 31.4 Ų | 31.4 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 177.1 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | G143 S146 S147 W261 G262 A263 G268 E269 | G143-T265 PolarHBondContact O-N 3.38Å; S146-T265 WeakPolarHBondContact OG-CG2 3.18Å; S147-T265 WeakPolarHBondContact OG-CA 3.49Å; S147-T265 PolarHBondContact OG-O 2.86Å; W261-T265 WeakPolarHBondContact O-CG2 3.03Å; W261-T265 PolarHBondContact O-N 3.5Å; G262-T265 PolarHBondContact O-N 2.75Å; G262-T265 PolarHBondContact O-OG1 3.42Å; A263-T265 VanDerWaalsContact C-N 3.31Å; A263-T265 PolarHBondContact O-N 3.32Å; T265-G268 PolarHBondContact O-N 2.92Å; T265-E269 VanDerWaalsContact O-CG 3.32Å; T265-E269 WeakPolarHBondContact O-CG 3.31Å; T265-E269 PolarHBondContact O-N 3.39Å; T265-E269 VanDerWaalsContact O-N 3.16Å |
| 266 | A | 89.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.7 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G262 A263 G264 L363 K366 | G262-A266 PolarHBondContact O-N 2.75Å; A263-A266 PolarHBondContact O-N 3.07Å; G264-A266 VanDerWaalsContact C-N 3.33Å; G264-A266 PolarHBondContact O-N 3.46Å; A266-L363 HydrophobicContact CB-CD1 4.33Å; A266-K366 HydrophobicContact CB-CB 4.3Å; A266-K366 HydrophobicContact CB-CD 4.1Å |
| 267 | L | 90.3 | Very high | 87.4 | Confident | 66 Ų | 66 | 26.1 Ų | 26.1 | 35% | 0.346 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -68.9 | -40.9 | 174.3 | -72.7 | 170.7 | 0 | 0 | 0 | 112.2 | L140 V144 A263 G264 E269 L270 F359 | L140-L267 HydrophobicContact CD1-CD1 4.28Å; L140-L267 HydrophobicContact CD2-CD1 4.15Å; L140-L267 HydrophobicContact CG-CD1 4.38Å; V144-L267 HydrophobicContact CG2-CB 4Å; A263-L267 WeakPolarHBondContact O-CG 3.45Å; A263-L267 PolarHBondContact O-N 2.76Å; G264-L267 PolarHBondContact O-N 2.76Å; L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 PolarHBondContact O-N 3.44Å; L267-L270 WeakPolarHBondContact O-CB 3.29Å; L267-L270 PolarHBondContact O-N 3.49Å; L267-F359 HydrophobicContact CD2-CE2 3.74Å; L267-F359 HydrophobicContact CD2-CZ 3.83Å; L267-F359 HydrophobicContact CG-CE2 4.39Å |
| 268 | G | 84.8 | Confident | 86.9 | Confident | 10 Ų | 10 | 28.4 Ų | 28.4 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.2 | -21.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S147 G264 T265 P271 | S147-G268 VanDerWaalsContact CB-C 3.48Å; G264-G268 PolarHBondContact O-N 3.14Å; T265-G268 PolarHBondContact O-N 2.92Å; G268-P271 WeakPolarHBondContact O-CD 3.22Å |
| 269 | E | 81.7 | Confident | 86.2 | Confident | 9 Ų | 9 | 28.8 Ų | 28.8 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 5.3 | 176.7 | -60.7 | 177.8 | -152.1 | 0 | 0 | 112.8 | T265 L267 P272 F341 K366 | T265-E269 VanDerWaalsContact O-CG 3.32Å; T265-E269 WeakPolarHBondContact O-CG 3.31Å; T265-E269 PolarHBondContact O-N 3.39Å; T265-E269 VanDerWaalsContact O-N 3.16Å; L267-E269 VanDerWaalsContact C-N 3.27Å; L267-E269 PolarHBondContact O-N 3.44Å; E269-P272 WeakPolarHBondContact O-CD 3.36Å; E269-F341 HydrophobicContact CB-CD1 3.58Å; E269-F341 HydrophobicContact CB-CE1 3.19Å; E269-F341 HydrophobicContact CB-CZ 3.83Å; E269-F341 HydrophobicContact CG-CD1 4.26Å; E269-F341 HydrophobicContact CG-CE1 4.28Å; E269-F341 WeakPolarHBondContact O-CE1 3.06Å; E269-F341 WeakPolarHBondContact OE2-CB 3.18Å; E269-F341 WeakPolarHBondContact OE2-CD1 3.18Å; E269-F341 WeakPolarHBondContact OE2-CE1 3.43Å; E269-F341 WeakPolarHBondContact OE2-CG 3.46Å; E269-K366 VanDerWaalsContact CD-CE 3.48Å; E269-K366 IonicContact OE1-NZ 3.87Å; E269-K366 PolarHBondContact OE1-NZ 2.87Å; E269-K366 WeakPolarHBondContact OE2-CE 3.37Å; E269-K366 IonicContact OE2-NZ 3.78Å; E269-K366 PolarHBondContact OE2-NZ 2.84Å |
| 270 | L | 86.6 | Confident | 85.5 | Confident | 20 Ų | 20 | 30.8 Ų | 30.8 | 11% | 0.105 | 17% | 0.168 | C | C | . | . | trans | -69.9 | -27.8 | 178 | -150.3 | 70.5 | 0 | 0 | 0 | 116.2 | L267 Y273 F274 F355 F358 F359 | L267-L270 WeakPolarHBondContact O-CB 3.29Å; L267-L270 PolarHBondContact O-N 3.49Å; L270-Y273 WeakPolarHBondContact O-CB 3.21Å; L270-Y273 PolarHBondContact O-N 2.97Å; L270-F274 HydrophobicContact CD2-CD2 4.17Å; L270-F274 HydrophobicContact CD2-CE2 3.43Å; L270-F274 VanDerWaalsContact CD2-CE2 3.43Å; L270-F274 HydrophobicContact CD2-CZ 4.32Å; L270-F274 HydrophobicContact CG-CD2 3.96Å; L270-F274 HydrophobicContact CG-CE2 3.63Å; L270-F274 PolarHBondContact O-N 3.33Å; L270-F355 HydrophobicContact CD1-CE2 3.98Å; L270-F355 HydrophobicContact CD2-CE2 4Å; L270-F355 HydrophobicContact CD2-CZ 4.45Å; L270-F355 HydrophobicContact CG-CE2 4.35Å; L270-F358 HydrophobicContact CD1-CD1 4.36Å; L270-F358 HydrophobicContact CD1-CE1 3.9Å; L270-F359 HydrophobicContact CD1-CD2 3.82Å | ||
| 271 | P | 83.5 | Confident | 85 | Confident | 69 Ų | 69 | 34.1 Ų | 34.1 | 45% | 0.448 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -55.3 | -45.8 | -175.7 | -25 | 32.9 | 0 | 0 | 0 | 115.3 | G268 Y273 F274 M275 | G268-P271 WeakPolarHBondContact O-CD 3.22Å; P271-Y273 VanDerWaalsContact C-N 3.25Å; P271-Y273 PolarHBondContact O-N 3.14Å; P271-F274 PolarHBondContact O-N 2.91Å; P271-F274 VanDerWaalsContact O-N 3.11Å; P271-M275 WeakPolarHBondContact O-CG 3.13Å; P271-M275 PolarHBondContact O-N 3.41Å |
| 272 | P | 79.4 | Confident | 84.2 | Confident | 16 Ų | 16 | 36.8 Ų | 36.8 | 10% | 0.104 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -51.9 | -39.9 | 175.9 | -30.4 | 36.7 | 0 | 0 | 0 | 114.6 | E269 M275 A276 F294 I346 | E269-P272 WeakPolarHBondContact O-CD 3.36Å; P272-M275 PolarHBondContact O-N 3.23Å; P272-A276 WeakPolarHBondContact O-CB 3.48Å; P272-A276 PolarHBondContact O-N 2.6Å; P272-F294 HydrophobicContact CB-CZ 3.94Å; P272-F294 HydrophobicContact CG-CZ 4.2Å; P272-I346 HydrophobicContact CB-CG1 4.07Å |
| 273 | Y | 85.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.2 | -46.4 | 178.4 | 168.3 | -92.2 | 0 | 0 | 0 | 112 | L270 P271 R277 G345 C348 V353 F355 F358 | L270-Y273 WeakPolarHBondContact O-CB 3.21Å; L270-Y273 PolarHBondContact O-N 2.97Å; P271-Y273 VanDerWaalsContact C-N 3.25Å; P271-Y273 PolarHBondContact O-N 3.14Å; Y273-R277 WeakPolarHBondContact O-CB 3.2Å; Y273-R277 PolarHBondContact O-N 3.5Å; Y273-R277 PolarHBondContact OH-NH1 3.35Å; Y273-G345 WeakPolarHBondContact CA-O 3.4Å; Y273-C348 HydrophobicContact CD2-CB 3.95Å; Y273-C348 HydrophobicContact CE2-CB 4.11Å; Y273-V353 PolarHBondContact OH-O 3.16Å; Y273-F355 HydrophobicContact CD1-CD2 4.38Å; Y273-F355 HydrophobicContact CE1-CB 4.31Å; Y273-F355 AromaticContact CE1-CD2 3.81Å; Y273-F355 HydrophobicContact CE1-CD2 3.81Å; Y273-F355 VanDerWaalsContact OH-CA 3.23Å; Y273-F355 WeakPolarHBondContact OH-CA 3.28Å; Y273-F355 PolarHBondContact OH-N 2.88Å; Y273-F355 VanDerWaalsContact OH-N 3.17Å; Y273-F358 VanDerWaalsContact CB-CE1 3.45Å; Y273-F358 HydrophobicContact CD1-CD1 4.08Å; Y273-F358 HydrophobicContact CD1-CE1 4.28Å; Y273-F358 HydrophobicContact CD2-CB 4.31Å; Y273-F358 AromaticContact CD2-CD1 3.48Å; Y273-F358 HydrophobicContact CD2-CD1 3.48Å; Y273-F358 VanDerWaalsContact CD2-CD1 3.48Å; Y273-F358 HydrophobicContact CD2-CD2 4.36Å; Y273-F358 AromaticContact CD2-CE1 3.8Å; Y273-F358 HydrophobicContact CD2-CE1 3.8Å; Y273-F358 AromaticContact CD2-CG 3.79Å; Y273-F358 HydrophobicContact CD2-CG 3.79Å; Y273-F358 HydrophobicContact CD2-CZ 4.38Å; Y273-F358 HydrophobicContact CE1-CD1 4.49Å; Y273-F358 HydrophobicContact CE2-CB 4.03Å; Y273-F358 AromaticContact CE2-CD1 3.94Å; Y273-F358 HydrophobicContact CE2-CD1 3.94Å; Y273-F358 HydrophobicContact CE2-CG 4.03Å; Y273-F358 AromaticContact CG-CD1 3.56Å; Y273-F358 HydrophobicContact CG-CD1 3.56Å; Y273-F358 AromaticContact CG-CE1 3.57Å; Y273-F358 HydrophobicContact CG-CE1 3.57Å; Y273-F358 HydrophobicContact CG-CG 4.33Å; Y273-F358 HydrophobicContact CG-CZ 4.36Å |
| 274 | F | 87.8 | Confident | 81.2 | Confident | 98 Ų | 98 | 47.3 Ų | 47.3 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -71.1 | -35.7 | 179.2 | -76.6 | -61.7 | 0 | 0 | 0 | 112.5 | L270 P271 A278 F355 | L270-F274 HydrophobicContact CD2-CD2 4.17Å; L270-F274 HydrophobicContact CD2-CE2 3.43Å; L270-F274 VanDerWaalsContact CD2-CE2 3.43Å; L270-F274 HydrophobicContact CD2-CZ 4.32Å; L270-F274 HydrophobicContact CG-CD2 3.96Å; L270-F274 HydrophobicContact CG-CE2 3.63Å; L270-F274 PolarHBondContact O-N 3.33Å; P271-F274 PolarHBondContact O-N 2.91Å; P271-F274 VanDerWaalsContact O-N 3.11Å; F274-A278 VanDerWaalsContact O-CB 3.25Å; F274-A278 WeakPolarHBondContact O-CB 3.3Å; F274-A278 PolarHBondContact O-N 3.36Å; F274-F355 HydrophobicContact CE1-CD2 4.21Å; F274-F355 HydrophobicContact CE2-CE2 4.11Å; F274-F355 AromaticContact CZ-CD2 3.73Å; F274-F355 HydrophobicContact CZ-CD2 3.73Å; F274-F355 AromaticContact CZ-CE2 3.63Å; F274-F355 HydrophobicContact CZ-CE2 3.63Å |
| 275 | M | 77.1 | Confident | 79.4 | Confident | 60 Ų | 60 | 52.9 Ų | 52.9 | 30% | 0.296 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.4 | -50.8 | 175.9 | -71.4 | 177.8 | 71.3 | 0 | 0 | 111.3 | P271 P272 R277 A278 G279 E290 | P271-M275 WeakPolarHBondContact O-CG 3.13Å; P271-M275 PolarHBondContact O-N 3.41Å; P272-M275 PolarHBondContact O-N 3.23Å; M275-R277 VanDerWaalsContact C-N 3.34Å; M275-R277 PolarHBondContact O-N 3.41Å; M275-A278 PolarHBondContact O-N 3.16Å; M275-G279 PolarHBondContact O-N 2.9Å; M275-G279 VanDerWaalsContact O-N 3.07Å; M275-E290 HydrophobicContact CE-CB 4.36Å |
| 276 | A | 77 | Confident | 77.7 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P272 G279 E280 I346 | P272-A276 WeakPolarHBondContact O-CB 3.48Å; P272-A276 PolarHBondContact O-N 2.6Å; A276-G279 PolarHBondContact O-N 3.39Å; A276-E280 PolarHBondContact O-N 3.43Å; A276-E280 VanDerWaalsContact O-N 3.11Å; A276-I346 HydrophobicContact CB-CG2 4.18Å; A276-I346 WeakPolarHBondContact CB-O 3.21Å |
| 277 | R | 85.6 | Confident | 76 | Confident | 71 Ų | 71 | 58.1 Ų | 58.1 | 27% | 0.268 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66 | -37.9 | 176.8 | -174.8 | 166.8 | -173.4 | 178.7 | 0.5 | 113.2 | Y273 M275 L281 G349 L352 | Y273-R277 WeakPolarHBondContact O-CB 3.2Å; Y273-R277 PolarHBondContact O-N 3.5Å; Y273-R277 PolarHBondContact OH-NH1 3.35Å; M275-R277 VanDerWaalsContact C-N 3.34Å; M275-R277 PolarHBondContact O-N 3.41Å; R277-L281 HydrophobicContact CG-CD1 4.13Å; R277-L281 WeakPolarHBondContact O-CB 3.37Å; R277-L281 VanDerWaalsContact O-CG 3.31Å; R277-L281 WeakPolarHBondContact O-CG 3.33Å; R277-L281 PolarHBondContact O-N 3.02Å; R277-L281 VanDerWaalsContact O-N 3.13Å; R277-G349 VanDerWaalsContact CA-O 3.3Å; R277-G349 WeakPolarHBondContact CA-O 3.25Å; R277-L352 HydrophobicContact CG-CD2 3.85Å |
| 278 | A | 81.1 | Confident | 74.4 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 49% | 0.488 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F274 M275 L281 S282 | F274-A278 VanDerWaalsContact O-CB 3.25Å; F274-A278 WeakPolarHBondContact O-CB 3.3Å; F274-A278 PolarHBondContact O-N 3.36Å; M275-A278 PolarHBondContact O-N 3.16Å; A278-L281 PolarHBondContact O-N 3.4Å; A278-S282 PolarHBondContact O-N 3.29Å; A278-S282 PolarHBondContact O-OG 3Å |
| 279 | G | 76.5 | Confident | 73.1 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 9% | 0.093 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M275 A276 S282 | M275-G279 PolarHBondContact O-N 2.9Å; M275-G279 VanDerWaalsContact O-N 3.07Å; A276-G279 PolarHBondContact O-N 3.39Å; G279-S282 PolarHBondContact O-OG 3.2Å |
| 280 | E | 79 | Confident | 71.7 | Confident | 89 Ų | 89 | 63 Ų | 63 | 42% | 0.416 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68 | -42.9 | 176.2 | -176.8 | 65.2 | -165.8 | 0 | 0 | 111.9 | A276 S282 G283 H350 L352 | A276-E280 PolarHBondContact O-N 3.43Å; A276-E280 VanDerWaalsContact O-N 3.11Å; E280-S282 VanDerWaalsContact C-N 3.3Å; E280-S282 PolarHBondContact O-N 2.92Å; E280-G283 PolarHBondContact O-N 2.81Å; E280-H350 WeakPolarHBondContact CG-O 3.27Å; E280-H350 IonicContact OE2-CD2 2.81Å; E280-H350 IonicContact OE2-NE2 2.96Å; E280-L352 HydrophobicContact CB-CD2 3.92Å; E280-L352 HydrophobicContact CB-CG 4.48Å; E280-L352 HydrophobicContact CG-CD1 4.04Å; E280-L352 HydrophobicContact CG-CD2 3.79Å; E280-L352 HydrophobicContact CG-CG 3.84Å |
| 281 | L | 82.9 | Confident | 70.3 | Confident | 116 Ų | 116 | 64 Ų | 64 | 61% | 0.607 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -68.8 | -25.5 | 179.8 | -72 | 174.4 | 0 | 0 | 0 | 113.6 | R277 A278 G283 L352 | R277-L281 HydrophobicContact CG-CD1 4.13Å; R277-L281 WeakPolarHBondContact O-CB 3.37Å; R277-L281 VanDerWaalsContact O-CG 3.31Å; R277-L281 WeakPolarHBondContact O-CG 3.33Å; R277-L281 PolarHBondContact O-N 3.02Å; R277-L281 VanDerWaalsContact O-N 3.13Å; A278-L281 PolarHBondContact O-N 3.4Å; L281-G283 VanDerWaalsContact C-N 3.33Å; L281-L352 HydrophobicContact CD2-CD1 4.16Å; L281-L352 HydrophobicContact CD2-CD2 3.96Å; L281-L352 HydrophobicContact CG-CD2 3.86Å |
| 282 | S | 75.4 | Confident | 69.3 | Low | 61 Ų | 61 | 65.3 Ų | 65.3 | 43% | 0.427 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -75.7 | -19.8 | 177.8 | 50.9 | 0 | 0 | 0 | 0 | 113.3 | A278 G279 E280 Q284 | A278-S282 PolarHBondContact O-N 3.29Å; A278-S282 PolarHBondContact O-OG 3Å; G279-S282 PolarHBondContact O-OG 3.2Å; E280-S282 VanDerWaalsContact C-N 3.3Å; E280-S282 PolarHBondContact O-N 2.92Å; S282-Q284 PolarHBondContact O-N 3.1Å; S282-Q284 PolarHBondContact OG-O 3.36Å |
| 283 | G | 64.7 | Low | 68.4 | Low | 75 Ų | 75 | 69.4 Ų | 69.4 | 77% | 0.773 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 61.6 | -10.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E280 L281 | E280-G283 PolarHBondContact O-N 2.81Å; L281-G283 VanDerWaalsContact C-N 3.33Å |
| 284 | Q | 56.3 | Low | 67.1 | Low | 157 Ų | 157 | 71.3 Ų | 71.3 | 73% | 0.734 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -104.6 | 134 | 166.6 | -77.6 | 177.1 | -28 | 0 | 0 | 107.5 | S282 P286 | S282-Q284 PolarHBondContact O-N 3.1Å; S282-Q284 PolarHBondContact OG-O 3.36Å; Q284-P286 VanDerWaalsContact O-CD 3.23Å; Q284-P286 WeakPolarHBondContact O-CD 3.42Å |
| 285 | E | 55.1 | Low | 65.8 | Low | 116 Ų | 116 | 70.3 Ų | 70.3 | 54% | 0.542 | 37% | 0.369 | S | S | . | . | trans | -51.3 | 114.7 | 163.9 | -75 | -164.4 | 143.5 | 0 | 0 | 107 | D287 K295 | E285-D287 PolarHBondContact O-N 3.07Å; E285-D287 VanDerWaalsContact O-N 3.11Å; E285-K295 IonicContact OE1-NZ 3.67Å; E285-K295 PolarHBondContact OE1-NZ 3.08Å | ||
| 286 | P | 52.8 | Low | 65.2 | Low | 25 Ų | 25 | 72.7 Ų | 72.7 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | trans | -59.4 | 126.8 | -178.4 | 21.7 | -29.8 | 0 | 0 | 0 | 107.1 | Q284 D288 Y291 | Q284-P286 VanDerWaalsContact O-CD 3.23Å; Q284-P286 WeakPolarHBondContact O-CD 3.42Å; P286-D288 HydrophobicContact CB-CB 4.3Å; P286-D288 PolarHBondContact O-N 2.77Å; P286-Y291 HydrophobicContact CG-CD1 3.64Å; P286-Y291 HydrophobicContact CG-CD2 4.26Å; P286-Y291 HydrophobicContact CG-CE1 4.08Å; P286-Y291 HydrophobicContact CG-CG 3.74Å | ||
| 287 | D | 53.5 | Low | 64.3 | Low | 91 Ų | 91 | 78 Ų | 78 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | trans | -67.3 | 17.2 | 176.8 | -144.4 | 18.5 | 0 | 0 | 0 | 111.6 | E285 E289 R292 R463 | E285-D287 PolarHBondContact O-N 3.07Å; E285-D287 VanDerWaalsContact O-N 3.11Å; D287-E289 PolarHBondContact O-N 3.5Å; D287-R292 IonicContact OD1-CZ 3.37Å; D287-R292 VanDerWaalsContact OD1-CZ 3.27Å; D287-R292 IonicContact OD1-NH1 2.55Å; D287-R292 PolarHBondContact OD1-NH1 2.93Å; D287-R292 IonicContact OD1-NH2 3.76Å; D287-R292 PolarHBondContact OD1-NH2 3.2Å; D287-R463 PolarHBondContact O-NH1 2.75Å; D287-R463 PolarHBondContact O-NH2 3.16Å | ||
| 288 | D | 57.3 | Low | 63 | Low | 77 Ų | 77 | 76.1 Ų | 76.1 | 41% | 0.412 | 40% | 0.398 | S | S | . | . | trans | -69.5 | 109.9 | 170.8 | -73.8 | -26.3 | 0 | 0 | 0 | 109.6 | P286 E290 Y291 R292 R463 | P286-D288 HydrophobicContact CB-CB 4.3Å; P286-D288 PolarHBondContact O-N 2.77Å; D288-E290 PolarHBondContact O-N 3.22Å; D288-Y291 CarbonylContact O-C 3.22Å; D288-Y291 WeakPolarHBondContact O-CA 3.21Å; D288-Y291 WeakPolarHBondContact O-CB 3.17Å; D288-Y291 PolarHBondContact O-N 3.27Å; D288-R292 PolarHBondContact O-N 2.98Å; D288-R463 IonicContact OD1-CZ 3.69Å; D288-R463 IonicContact OD1-NH1 3.96Å; D288-R463 PolarHBondContact OD1-NH1 3.49Å; D288-R463 IonicContact OD1-NH2 3.59Å | ||
| 289 | E | 55.4 | Low | 62.1 | Low | 11 Ų | 11 | 77.3 Ų | 77.3 | 5% | 0.051 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.4 | -28.3 | 171.8 | -168.9 | 168.3 | -163.1 | 0 | 0 | 110.7 | L61 R64 Q65 D287 Y291 R292 E293 | L61-E289 HydrophobicContact CD1-CG 4.29Å; R64-E289 IonicContact CZ-OE2 2.66Å; R64-E289 VanDerWaalsContact NH1-CB 3.33Å; R64-E289 IonicContact NH1-OE2 3.83Å; R64-E289 PolarHBondContact NH1-OE2 3.28Å; Q65-E289 WeakPolarHBondContact CG-OE1 3.47Å; Q65-E289 PolarHBondContact NE2-OE1 3.1Å; D287-E289 PolarHBondContact O-N 3.5Å; E289-Y291 VanDerWaalsContact C-N 3.31Å; E289-Y291 PolarHBondContact O-N 2.91Å; E289-R292 PolarHBondContact O-N 3.4Å; E289-E293 HydrophobicContact CG-CG 4.16Å; E289-E293 WeakPolarHBondContact O-CB 3.44Å; E289-E293 VanDerWaalsContact O-CG 3.25Å; E289-E293 WeakPolarHBondContact O-CG 3.42Å; E289-E293 PolarHBondContact O-N 2.83Å |
| 290 | E | 53.1 | Low | 61.2 | Low | 99 Ų | 99 | 82.2 Ų | 82.2 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 170.5 | -67.1 | -179.3 | -176.7 | 0 | 0 | 111.6 | M275 D288 F294 | M275-E290 HydrophobicContact CE-CB 4.36Å; D288-E290 PolarHBondContact O-N 3.22Å; E290-F294 WeakPolarHBondContact O-CB 2.92Å; E290-F294 PolarHBondContact O-N 2.73Å |
| 291 | Y | 57.7 | Low | 59.9 | Low | 42 Ų | 42 | 80.1 Ų | 80.1 | 17% | 0.165 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.1 | -39 | 174.3 | -174.9 | -102.7 | 0 | 0 | 0 | 111.4 | P286 D288 E289 K295 | P286-Y291 HydrophobicContact CG-CD1 3.64Å; P286-Y291 HydrophobicContact CG-CD2 4.26Å; P286-Y291 HydrophobicContact CG-CE1 4.08Å; P286-Y291 HydrophobicContact CG-CG 3.74Å; D288-Y291 CarbonylContact O-C 3.22Å; D288-Y291 WeakPolarHBondContact O-CA 3.21Å; D288-Y291 WeakPolarHBondContact O-CB 3.17Å; D288-Y291 PolarHBondContact O-N 3.27Å; E289-Y291 VanDerWaalsContact C-N 3.31Å; E289-Y291 PolarHBondContact O-N 2.91Å; Y291-K295 WeakPolarHBondContact O-CB 3.41Å; Y291-K295 PolarHBondContact O-N 2.87Å |
| 292 | R | 62.7 | Low | 58.4 | Low | 97 Ų | 97 | 78 Ų | 78 | 37% | 0.366 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70.7 | -43.5 | 176.5 | -71.6 | -169.2 | 179.2 | 135.4 | 10.2 | 113.3 | D287 D288 E289 F294 K295 Q296 | D287-R292 IonicContact OD1-CZ 3.37Å; D287-R292 VanDerWaalsContact OD1-CZ 3.27Å; D287-R292 IonicContact OD1-NH1 2.55Å; D287-R292 PolarHBondContact OD1-NH1 2.93Å; D287-R292 IonicContact OD1-NH2 3.76Å; D287-R292 PolarHBondContact OD1-NH2 3.2Å; D288-R292 PolarHBondContact O-N 2.98Å; E289-R292 PolarHBondContact O-N 3.4Å; R292-F294 VanDerWaalsContact C-N 3.28Å; R292-K295 CarbonylContact O-C 3.6Å; R292-K295 PolarHBondContact O-N 3.49Å; R292-Q296 WeakPolarHBondContact O-CB 3.1Å; R292-Q296 VanDerWaalsContact O-CG 3.29Å; R292-Q296 WeakPolarHBondContact O-CG 3.28Å; R292-Q296 PolarHBondContact O-N 3.48Å |
| 293 | E | 60.4 | Low | 57.1 | Low | 102 Ų | 102 | 81.8 Ų | 81.8 | 48% | 0.477 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 174 | -75.4 | 179.5 | 177.2 | 0 | 0 | 110.1 | E289 Q296 F297 | E289-E293 HydrophobicContact CG-CG 4.16Å; E289-E293 WeakPolarHBondContact O-CB 3.44Å; E289-E293 VanDerWaalsContact O-CG 3.25Å; E289-E293 WeakPolarHBondContact O-CG 3.42Å; E289-E293 PolarHBondContact O-N 2.83Å; E293-Q296 PolarHBondContact O-N 2.91Å; E293-F297 WeakPolarHBondContact O-CB 3.23Å; E293-F297 PolarHBondContact O-N 2.8Å |
| 294 | F | 58.4 | Low | 56.4 | Low | 40 Ų | 40 | 81.8 Ų | 81.8 | 18% | 0.175 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 172.4 | -177.6 | -116.2 | 0 | 0 | 0 | 111.6 | P272 E290 R292 Q296 F297 L298 I346 | P272-F294 HydrophobicContact CB-CZ 3.94Å; P272-F294 HydrophobicContact CG-CZ 4.2Å; E290-F294 WeakPolarHBondContact O-CB 2.92Å; E290-F294 PolarHBondContact O-N 2.73Å; R292-F294 VanDerWaalsContact C-N 3.28Å; F294-Q296 VanDerWaalsContact C-N 3.34Å; F294-Q296 PolarHBondContact O-N 2.92Å; F294-F297 CarbonylContact O-C 3.58Å; F294-F297 WeakPolarHBondContact O-CB 3.44Å; F294-F297 PolarHBondContact O-N 3.35Å; F294-L298 HydrophobicContact CD1-CD1 3.68Å; F294-L298 HydrophobicContact CD1-CG 4.44Å; F294-L298 HydrophobicContact CE1-CD1 3.5Å; F294-L298 HydrophobicContact CE1-CG 4.33Å; F294-L298 HydrophobicContact CE2-CD1 4.4Å; F294-L298 HydrophobicContact CE2-CD2 4.48Å; F294-L298 HydrophobicContact CE2-CG 4.38Å; F294-L298 HydrophobicContact CG-CD1 4.25Å; F294-L298 HydrophobicContact CZ-CD1 3.89Å; F294-L298 HydrophobicContact CZ-CD2 4.35Å; F294-L298 HydrophobicContact CZ-CG 4.29Å; F294-L298 WeakPolarHBondContact O-CB 2.81Å; F294-L298 WeakPolarHBondContact O-CG 2.9Å; F294-L298 PolarHBondContact O-N 3.37Å; F294-I346 HydrophobicContact CE1-CD1 3.88Å; F294-I346 HydrophobicContact CE1-CG1 3.72Å; F294-I346 HydrophobicContact CZ-CD1 3.54Å; F294-I346 HydrophobicContact CZ-CG1 3.66Å |
| 295 | K | 60.5 | Low | 55.7 | Low | 76 Ų | 76 | 78 Ų | 78 | 33% | 0.33 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 174.7 | -164.9 | -177.7 | -176.2 | -170.9 | 0 | 111.3 | E285 Y291 R292 L298 E299 | E285-K295 IonicContact OE1-NZ 3.67Å; E285-K295 PolarHBondContact OE1-NZ 3.08Å; Y291-K295 WeakPolarHBondContact O-CB 3.41Å; Y291-K295 PolarHBondContact O-N 2.87Å; R292-K295 CarbonylContact O-C 3.6Å; R292-K295 PolarHBondContact O-N 3.49Å; K295-L298 CarbonylContact O-C 3.58Å; K295-L298 WeakPolarHBondContact O-CB 3.35Å; K295-L298 PolarHBondContact O-N 3.07Å; K295-E299 WeakPolarHBondContact O-CB 3.34Å; K295-E299 VanDerWaalsContact O-CG 3.26Å; K295-E299 WeakPolarHBondContact O-CG 3.42Å; K295-E299 PolarHBondContact O-N 2.88Å |
| 296 | Q | 63.8 | Low | 55.3 | Low | 111 Ų | 111 | 74.2 Ų | 74.2 | 52% | 0.519 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 173 | -76.2 | 177.5 | -6 | 0 | 0 | 112 | R292 E293 F294 L298 E299 M300 | R292-Q296 WeakPolarHBondContact O-CB 3.1Å; R292-Q296 VanDerWaalsContact O-CG 3.29Å; R292-Q296 WeakPolarHBondContact O-CG 3.28Å; R292-Q296 PolarHBondContact O-N 3.48Å; E293-Q296 PolarHBondContact O-N 2.91Å; F294-Q296 VanDerWaalsContact C-N 3.34Å; F294-Q296 PolarHBondContact O-N 2.92Å; Q296-L298 VanDerWaalsContact C-N 3.28Å; Q296-L298 PolarHBondContact O-N 3.09Å; Q296-E299 PolarHBondContact O-N 2.87Å; Q296-M300 VanDerWaalsContact O-CB 3.3Å; Q296-M300 WeakPolarHBondContact O-CB 3.44Å; Q296-M300 VanDerWaalsContact O-CG 3.22Å; Q296-M300 WeakPolarHBondContact O-CG 3.28Å; Q296-M300 PolarHBondContact O-N 2.86Å |
| 297 | F | 58.5 | Low | 55 | Low | 114 Ų | 114 | 82 Ų | 82 | 50% | 0.5 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 173.3 | 175.6 | -98.7 | 0 | 0 | 0 | 111.3 | E293 F294 M300 T301 | E293-F297 WeakPolarHBondContact O-CB 3.23Å; E293-F297 PolarHBondContact O-N 2.8Å; F294-F297 CarbonylContact O-C 3.58Å; F294-F297 WeakPolarHBondContact O-CB 3.44Å; F294-F297 PolarHBondContact O-N 3.35Å; F297-M300 HydrophobicContact CB-CE 4.47Å; F297-T301 VanDerWaalsContact O-CB 3.28Å; F297-T301 WeakPolarHBondContact O-CB 3.21Å; F297-T301 PolarHBondContact O-N 3.22Å; F297-T301 PolarHBondContact O-OG1 3.3Å |
| 298 | L | 58.6 | Low | 54.9 | Low | 32 Ų | 32 | 81.8 Ų | 81.8 | 17% | 0.168 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.1 | -47.6 | 172.8 | -70 | 168.4 | 0 | 0 | 0 | 111 | F294 K295 Q296 M300 T301 E302 I346 | F294-L298 HydrophobicContact CD1-CD1 3.68Å; F294-L298 HydrophobicContact CD1-CG 4.44Å; F294-L298 HydrophobicContact CE1-CD1 3.5Å; F294-L298 HydrophobicContact CE1-CG 4.33Å; F294-L298 HydrophobicContact CE2-CD1 4.4Å; F294-L298 HydrophobicContact CE2-CD2 4.48Å; F294-L298 HydrophobicContact CE2-CG 4.38Å; F294-L298 HydrophobicContact CG-CD1 4.25Å; F294-L298 HydrophobicContact CZ-CD1 3.89Å; F294-L298 HydrophobicContact CZ-CD2 4.35Å; F294-L298 HydrophobicContact CZ-CG 4.29Å; F294-L298 WeakPolarHBondContact O-CB 2.81Å; F294-L298 WeakPolarHBondContact O-CG 2.9Å; F294-L298 PolarHBondContact O-N 3.37Å; K295-L298 CarbonylContact O-C 3.58Å; K295-L298 WeakPolarHBondContact O-CB 3.35Å; K295-L298 PolarHBondContact O-N 3.07Å; Q296-L298 VanDerWaalsContact C-N 3.28Å; Q296-L298 PolarHBondContact O-N 3.09Å; L298-M300 VanDerWaalsContact C-N 3.29Å; L298-M300 PolarHBondContact O-N 3.5Å; L298-T301 CarbonylContact O-C 3.56Å; L298-T301 PolarHBondContact O-N 3.44Å; L298-E302 WeakPolarHBondContact O-CA 3.02Å; L298-E302 WeakPolarHBondContact O-CB 3.29Å; L298-E302 WeakPolarHBondContact O-CG 3.42Å; L298-E302 PolarHBondContact O-N 3.34Å; L298-I346 HydrophobicContact CD1-CD1 3.5Å; L298-I346 VanDerWaalsContact CD1-CD1 3.5Å; L298-I346 HydrophobicContact CD1-CG1 4.25Å; L298-I346 HydrophobicContact CD1-CG2 4.35Å; L298-I346 HydrophobicContact CD2-CD1 3.26Å; L298-I346 HydrophobicContact CG-CD1 3.97Å |
| 299 | E | 61.8 | Low | 54.9 | Low | 83 Ų | 83 | 84.8 Ų | 84.8 | 39% | 0.388 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.2 | -37.2 | 175.3 | -75.1 | 169.1 | -169 | 0 | 0 | 111.6 | K295 Q296 Q303 | K295-E299 WeakPolarHBondContact O-CB 3.34Å; K295-E299 VanDerWaalsContact O-CG 3.26Å; K295-E299 WeakPolarHBondContact O-CG 3.42Å; K295-E299 PolarHBondContact O-N 2.88Å; Q296-E299 PolarHBondContact O-N 2.87Å; E299-Q303 WeakPolarHBondContact O-CB 3.36Å; E299-Q303 WeakPolarHBondContact O-CG 3.47Å; E299-Q303 PolarHBondContact O-N 3.34Å |
| 300 | M | 56.8 | Low | 55.4 | Low | 112 Ų | 112 | 92.5 Ų | 92.5 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -70.3 | -40.7 | 174.6 | -76.1 | -172.6 | -64.7 | 0 | 0 | 111.9 | Q296 F297 L298 Q303 A304 | Q296-M300 VanDerWaalsContact O-CB 3.3Å; Q296-M300 WeakPolarHBondContact O-CB 3.44Å; Q296-M300 VanDerWaalsContact O-CG 3.22Å; Q296-M300 WeakPolarHBondContact O-CG 3.28Å; Q296-M300 PolarHBondContact O-N 2.86Å; F297-M300 HydrophobicContact CB-CE 4.47Å; L298-M300 VanDerWaalsContact C-N 3.29Å; L298-M300 PolarHBondContact O-N 3.5Å; M300-Q303 PolarHBondContact O-N 3.02Å; M300-A304 WeakPolarHBondContact O-CB 3.3Å; M300-A304 PolarHBondContact O-N 2.83Å |
| 301 | T | 52.2 | Low | 55.4 | Low | 46 Ų | 46 | 89.5 Ų | 89.5 | 28% | 0.282 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 176 | -58.9 | 0 | 0 | 0 | 0 | 110 | F297 L298 A304 Q305 | F297-T301 VanDerWaalsContact O-CB 3.28Å; F297-T301 WeakPolarHBondContact O-CB 3.21Å; F297-T301 PolarHBondContact O-N 3.22Å; F297-T301 PolarHBondContact O-OG1 3.3Å; L298-T301 CarbonylContact O-C 3.56Å; L298-T301 PolarHBondContact O-N 3.44Å; T301-A304 PolarHBondContact O-N 3.18Å; T301-Q305 WeakPolarHBondContact O-CB 3.37Å; T301-Q305 WeakPolarHBondContact O-CG 3.24Å; T301-Q305 PolarHBondContact O-N 2.82Å |
| 302 | E | 50.3 | Low | 55.4 | Low | 72 Ų | 72 | 91 Ų | 91 | 34% | 0.336 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 172.8 | -76.7 | -173.5 | 167.2 | 0 | 0 | 110.6 | L298 Q305 A306 K315 | L298-E302 WeakPolarHBondContact O-CA 3.02Å; L298-E302 WeakPolarHBondContact O-CB 3.29Å; L298-E302 WeakPolarHBondContact O-CG 3.42Å; L298-E302 PolarHBondContact O-N 3.34Å; E302-Q305 CarbonylContact O-C 3.57Å; E302-Q305 PolarHBondContact O-N 2.77Å; E302-A306 WeakPolarHBondContact O-CA 3.29Å; E302-A306 WeakPolarHBondContact O-CB 2.98Å; E302-A306 PolarHBondContact O-N 2.93Å; E302-K315 IonicContact OE1-NZ 2.78Å; E302-K315 PolarHBondContact OE1-NZ 2.64Å; E302-K315 IonicContact OE2-NZ 3.16Å |
| 303 | Q | 49.2 | Very low | 55.5 | Low | 139 Ų | 139 | 89.3 Ų | 89.3 | 65% | 0.65 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -70.1 | -37.6 | 177.8 | -75.7 | 173.4 | 12.8 | 0 | 0 | 112.9 | E299 M300 Q305 K307 | E299-Q303 WeakPolarHBondContact O-CB 3.36Å; E299-Q303 WeakPolarHBondContact O-CG 3.47Å; E299-Q303 PolarHBondContact O-N 3.34Å; M300-Q303 PolarHBondContact O-N 3.02Å; Q303-Q305 PolarHBondContact O-N 3.02Å; Q303-K307 PolarHBondContact O-N 2.74Å |
| 304 | A | 49.4 | Very low | 55.6 | Low | 75 Ų | 75 | 85.8 Ų | 85.8 | 62% | 0.62 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66 | -28.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | M300 T301 | M300-A304 WeakPolarHBondContact O-CB 3.3Å; M300-A304 PolarHBondContact O-N 2.83Å; T301-A304 PolarHBondContact O-N 3.18Å |
| 305 | Q | 42.6 | Very low | 55.8 | Low | 77 Ų | 77 | 86.6 Ų | 86.6 | 36% | 0.36 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -92.1 | -38.4 | 178.9 | -77.3 | -179.2 | -18 | 0 | 0 | 113.4 | T301 E302 Q303 K307 N308 L311 | T301-Q305 WeakPolarHBondContact O-CB 3.37Å; T301-Q305 WeakPolarHBondContact O-CG 3.24Å; T301-Q305 PolarHBondContact O-N 2.82Å; E302-Q305 CarbonylContact O-C 3.57Å; E302-Q305 PolarHBondContact O-N 2.77Å; Q303-Q305 PolarHBondContact O-N 3.02Å; Q305-K307 PolarHBondContact O-N 3.37Å; Q305-K307 VanDerWaalsContact O-N 3.13Å; Q305-N308 PolarHBondContact O-N 2.75Å; Q305-L311 HydrophobicContact CB-CD1 3.48Å; Q305-L311 VanDerWaalsContact CB-CD1 3.48Å; Q305-L311 HydrophobicContact CG-CD1 3.78Å; Q305-L311 WeakPolarHBondContact O-CD1 3.41Å |
| 306 | A | 45.5 | Very low | 56 | Low | 38 Ų | 38 | 86.7 Ų | 86.7 | 31% | 0.314 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.4 | -6.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E302 N308 | E302-A306 WeakPolarHBondContact O-CA 3.29Å; E302-A306 WeakPolarHBondContact O-CB 2.98Å; E302-A306 PolarHBondContact O-N 2.93Å; A306-N308 PolarHBondContact O-N 3.35Å; A306-N308 VanDerWaalsContact O-N 3.09Å |
| 307 | K | 46.8 | Very low | 56.2 | Low | 187 Ų | 187 | 84.5 Ų | 84.5 | 81% | 0.813 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -8.9 | 159.6 | -126 | 179.3 | -177.6 | 178.7 | 0 | 113.1 | Q303 Q305 | Q303-K307 PolarHBondContact O-N 2.74Å; Q305-K307 PolarHBondContact O-N 3.37Å; Q305-K307 VanDerWaalsContact O-N 3.13Å |
| 308 | N | 52.1 | Low | 56.5 | Low | 87 Ų | 87 | 80.3 Ų | 80.3 | 47% | 0.465 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -124.3 | 114.4 | 170.7 | -50.1 | -64.3 | 0 | 0 | 0 | 111.6 | Q305 A306 W310 L311 | Q305-N308 PolarHBondContact O-N 2.75Å; A306-N308 PolarHBondContact O-N 3.35Å; A306-N308 VanDerWaalsContact O-N 3.09Å; N308-W310 PolarHBondContact O-N 3.49Å; N308-L311 PolarHBondContact O-N 2.78Å |
| 309 | D | 57.3 | Low | 57 | Low | 141 Ų | 141 | 80.9 Ų | 80.9 | 75% | 0.754 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -46.4 | -26.6 | 176 | -65.7 | -22.1 | 0 | 0 | 0 | 114.8 | L311 A313 | D309-L311 VanDerWaalsContact C-N 3.31Å; D309-L311 PolarHBondContact O-N 2.98Å; D309-A313 PolarHBondContact O-N 3.18Å |
| 310 | W | 65.4 | Low | 57.4 | Low | 173 Ų | 173 | 83.8 Ų | 83.8 | 66% | 0.655 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.2 | -29.2 | -179.2 | 98.3 | -89.7 | 0 | 0 | 0 | 113.4 | N308 A314 | N308-W310 PolarHBondContact O-N 3.49Å; W310-A314 HydrophobicContact CZ3-CB 4.44Å; W310-A314 WeakPolarHBondContact O-CB 3.46Å; W310-A314 PolarHBondContact O-N 3.39Å |
| 311 | L | 54.5 | Low | 58 | Low | 36 Ų | 36 | 81 Ų | 81 | 19% | 0.188 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -79.3 | -34 | -177.8 | -73.8 | 172.6 | 0 | 0 | 0 | 112.1 | Q305 N308 D309 A314 K315 | Q305-L311 HydrophobicContact CB-CD1 3.48Å; Q305-L311 VanDerWaalsContact CB-CD1 3.48Å; Q305-L311 HydrophobicContact CG-CD1 3.78Å; Q305-L311 WeakPolarHBondContact O-CD1 3.41Å; N308-L311 PolarHBondContact O-N 2.78Å; D309-L311 VanDerWaalsContact C-N 3.31Å; D309-L311 PolarHBondContact O-N 2.98Å; L311-A314 WeakPolarHBondContact O-CB 3.23Å; L311-A314 PolarHBondContact O-N 2.67Å; L311-K315 WeakPolarHBondContact O-CB 3.48Å; L311-K315 PolarHBondContact O-N 2.69Å |
| 312 | D | 56.9 | Low | 58.8 | Low | 74 Ų | 74 | 79.4 Ų | 79.4 | 40% | 0.396 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 172.7 | -67.8 | -22 | 0 | 0 | 0 | 111.3 | A314 K315 L316 | D312-A314 VanDerWaalsContact C-N 3.31Å; D312-A314 PolarHBondContact O-N 3.18Å; D312-K315 PolarHBondContact O-N 2.92Å; D312-L316 WeakPolarHBondContact O-CG 3.27Å; D312-L316 PolarHBondContact O-N 2.91Å |
| 313 | A | 64.7 | Low | 59.6 | Low | 61 Ų | 61 | 82.3 Ų | 82.3 | 50% | 0.504 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D309 S317 | D309-A313 PolarHBondContact O-N 3.18Å; A313-S317 WeakPolarHBondContact O-CB 3.44Å; A313-S317 PolarHBondContact O-N 3.34Å |
| 314 | A | 63.2 | Low | 60.6 | Low | 27 Ų | 27 | 84.1 Ų | 84.1 | 22% | 0.223 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66 | -43.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | W310 L311 D312 S317 I318 | W310-A314 HydrophobicContact CZ3-CB 4.44Å; W310-A314 WeakPolarHBondContact O-CB 3.46Å; W310-A314 PolarHBondContact O-N 3.39Å; L311-A314 WeakPolarHBondContact O-CB 3.23Å; L311-A314 PolarHBondContact O-N 2.67Å; D312-A314 VanDerWaalsContact C-N 3.31Å; D312-A314 PolarHBondContact O-N 3.18Å; A314-S317 PolarHBondContact O-N 2.83Å; A314-I318 WeakPolarHBondContact O-CB 3.4Å; A314-I318 WeakPolarHBondContact O-CG1 3.38Å; A314-I318 PolarHBondContact O-N 3.49Å |
| 315 | K | 60.9 | Low | 61.6 | Low | 57 Ų | 57 | 84 Ų | 84 | 25% | 0.248 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58.4 | -54.2 | 175.9 | -179.3 | 176.5 | 174.2 | 177.8 | 0 | 111.4 | E302 L311 D312 S317 I318 E319 | E302-K315 IonicContact OE1-NZ 2.78Å; E302-K315 PolarHBondContact OE1-NZ 2.64Å; E302-K315 IonicContact OE2-NZ 3.16Å; L311-K315 WeakPolarHBondContact O-CB 3.48Å; L311-K315 PolarHBondContact O-N 2.69Å; D312-K315 PolarHBondContact O-N 2.92Å; K315-S317 VanDerWaalsContact C-N 3.26Å; K315-S317 PolarHBondContact O-N 3.46Å; K315-I318 PolarHBondContact O-N 2.93Å; K315-I318 VanDerWaalsContact O-N 3.15Å; K315-E319 VanDerWaalsContact CE-OE1 3.28Å; K315-E319 WeakPolarHBondContact CE-OE1 3.46Å; K315-E319 WeakPolarHBondContact CG-OE1 3.08Å; K315-E319 WeakPolarHBondContact O-CG 3.28Å; K315-E319 PolarHBondContact O-N 3.25Å |
| 316 | L | 65.4 | Low | 63.3 | Low | 79 Ų | 79 | 81.1 Ų | 81.1 | 41% | 0.414 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.4 | -33.2 | 177.6 | -70.7 | 170.8 | 0 | 0 | 0 | 112.6 | D312 R320 | D312-L316 WeakPolarHBondContact O-CG 3.27Å; D312-L316 PolarHBondContact O-N 2.91Å; L316-R320 WeakPolarHBondContact O-CB 3.04Å; L316-R320 VanDerWaalsContact O-CG 3.29Å; L316-R320 WeakPolarHBondContact O-CG 3.47Å; L316-R320 PolarHBondContact O-N 3.03Å |
| 317 | S | 67.4 | Low | 65.2 | Low | 65 Ų | 65 | 83.8 Ų | 83.8 | 46% | 0.455 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -68.8 | -45.1 | 174.8 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | A313 A314 K315 T321 | A313-S317 WeakPolarHBondContact O-CB 3.44Å; A313-S317 PolarHBondContact O-N 3.34Å; A314-S317 PolarHBondContact O-N 2.83Å; K315-S317 VanDerWaalsContact C-N 3.26Å; K315-S317 PolarHBondContact O-N 3.46Å; S317-T321 VanDerWaalsContact O-CB 3.24Å; S317-T321 WeakPolarHBondContact O-CB 3.48Å; S317-T321 PolarHBondContact O-N 3.49Å; S317-T321 PolarHBondContact O-OG1 3.16Å |
| 318 | I | 66.4 | Low | 66.9 | Low | 26 Ų | 26 | 79.5 Ų | 79.5 | 13% | 0.133 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 177.8 | -72.2 | 165.4 | 0 | 0 | 0 | 110 | A314 K315 T321 I322 L340 | A314-I318 WeakPolarHBondContact O-CB 3.4Å; A314-I318 WeakPolarHBondContact O-CG1 3.38Å; A314-I318 PolarHBondContact O-N 3.49Å; K315-I318 PolarHBondContact O-N 2.93Å; K315-I318 VanDerWaalsContact O-N 3.15Å; I318-T321 PolarHBondContact O-N 3.5Å; I318-I322 HydrophobicContact CG2-CD1 3.53Å; I318-I322 HydrophobicContact CG2-CG1 4.17Å; I318-I322 WeakPolarHBondContact O-CB 3.27Å; I318-I322 VanDerWaalsContact O-CG1 3.27Å; I318-I322 WeakPolarHBondContact O-CG1 3.3Å; I318-I322 PolarHBondContact O-N 2.7Å; I318-L340 HydrophobicContact CD1-CD2 4.12Å |
| 319 | E | 68.7 | Low | 68.3 | Low | 44 Ų | 44 | 75.7 Ų | 75.7 | 21% | 0.206 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -55.5 | -55.7 | 177.3 | -73.1 | 170.1 | -177.2 | 0 | 0 | 111.6 | K315 T321 I322 E323 T347 | K315-E319 VanDerWaalsContact CE-OE1 3.28Å; K315-E319 WeakPolarHBondContact CE-OE1 3.46Å; K315-E319 WeakPolarHBondContact CG-OE1 3.08Å; K315-E319 WeakPolarHBondContact O-CG 3.28Å; K315-E319 PolarHBondContact O-N 3.25Å; E319-T321 PolarHBondContact O-N 2.97Å; E319-I322 PolarHBondContact O-N 2.56Å; E319-E323 WeakPolarHBondContact O-CG 3.27Å; E319-E323 PolarHBondContact O-N 3.06Å; E319-T347 HydrophobicContact CG-CG2 4.07Å |
| 320 | R | 70.3 | Confident | 69.5 | Low | 144 Ų | 144 | 69 Ų | 69 | 54% | 0.543 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.9 | -30.7 | 178.3 | -69 | 178.4 | -168 | 131.3 | 0.8 | 113.1 | L316 K324 | L316-R320 WeakPolarHBondContact O-CB 3.04Å; L316-R320 VanDerWaalsContact O-CG 3.29Å; L316-R320 WeakPolarHBondContact O-CG 3.47Å; L316-R320 PolarHBondContact O-N 3.03Å; R320-K324 WeakPolarHBondContact O-CB 3.33Å; R320-K324 VanDerWaalsContact O-CG 3.28Å; R320-K324 WeakPolarHBondContact O-CG 3.27Å; R320-K324 PolarHBondContact O-N 3.01Å; R320-K324 VanDerWaalsContact O-N 3.16Å |
| 321 | T | 67.8 | Low | 70.5 | Confident | 54 Ų | 54 | 61.9 Ų | 61.9 | 33% | 0.331 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -79.2 | -36.1 | 179.9 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | S317 I318 E319 K324 V325 A329 | S317-T321 VanDerWaalsContact O-CB 3.24Å; S317-T321 WeakPolarHBondContact O-CB 3.48Å; S317-T321 PolarHBondContact O-N 3.49Å; S317-T321 PolarHBondContact O-OG1 3.16Å; I318-T321 PolarHBondContact O-N 3.5Å; E319-T321 PolarHBondContact O-N 2.97Å; T321-K324 PolarHBondContact O-N 3.32Å; T321-V325 HydrophobicContact CG2-CB 4.39Å; T321-V325 HydrophobicContact CG2-CG2 3.92Å; T321-V325 WeakPolarHBondContact O-CA 3.39Å; T321-V325 WeakPolarHBondContact O-CB 3.16Å; T321-V325 PolarHBondContact O-N 2.97Å; T321-A329 HydrophobicContact CG2-CB 3.73Å; T321-A329 WeakPolarHBondContact O-CB 3.14Å |
| 322 | I | 70 | Confident | 71.9 | Confident | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.062 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.6 | -42 | 172.7 | -70.7 | 172.5 | 0 | 0 | 0 | 109.9 | I318 E319 G326 A329 I330 T347 V353 | I318-I322 HydrophobicContact CG2-CD1 3.53Å; I318-I322 HydrophobicContact CG2-CG1 4.17Å; I318-I322 WeakPolarHBondContact O-CB 3.27Å; I318-I322 VanDerWaalsContact O-CG1 3.27Å; I318-I322 WeakPolarHBondContact O-CG1 3.3Å; I318-I322 PolarHBondContact O-N 2.7Å; E319-I322 PolarHBondContact O-N 2.56Å; I322-G326 WeakPolarHBondContact O-CA 2.96Å; I322-G326 PolarHBondContact O-N 3.48Å; I322-A329 HydrophobicContact CB-CB 4.44Å; I322-A329 HydrophobicContact CG1-CB 3.84Å; I322-I330 HydrophobicContact CG1-CG1 4.26Å; I322-I330 HydrophobicContact CG2-CG1 4.41Å; I322-T347 HydrophobicContact CD1-CG2 4.36Å; I322-V353 HydrophobicContact CG2-CG2 4.46Å |
| 323 | E | 67.9 | Low | 72.8 | Confident | 132 Ų | 132 | 60.9 Ų | 60.9 | 62% | 0.617 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 175.7 | -71.8 | -179.2 | 162.5 | 0 | 0 | 112.7 | E319 | E319-E323 WeakPolarHBondContact O-CG 3.27Å; E319-E323 PolarHBondContact O-N 3.06Å |
| 324 | K | 69.6 | Low | 73.5 | Confident | 177 Ų | 177 | 58 Ų | 58 | 77% | 0.77 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -81.8 | -40.3 | -175.6 | -72.6 | 179.6 | -179 | -177.2 | 0 | 114.3 | R320 T321 | R320-K324 WeakPolarHBondContact O-CB 3.33Å; R320-K324 VanDerWaalsContact O-CG 3.28Å; R320-K324 WeakPolarHBondContact O-CG 3.27Å; R320-K324 PolarHBondContact O-N 3.01Å; R320-K324 VanDerWaalsContact O-N 3.16Å; T321-K324 PolarHBondContact O-N 3.32Å |
| 325 | V | 71.1 | Confident | 74.2 | Confident | 73 Ų | 73 | 58 Ų | 58 | 44% | 0.442 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -114.9 | -17.4 | -168 | -158.6 | 0 | 0 | 0 | 0 | 111.7 | T321 F327 L328 A329 | T321-V325 HydrophobicContact CG2-CB 4.39Å; T321-V325 HydrophobicContact CG2-CG2 3.92Å; T321-V325 WeakPolarHBondContact O-CA 3.39Å; T321-V325 WeakPolarHBondContact O-CB 3.16Å; T321-V325 PolarHBondContact O-N 2.97Å; V325-F327 PolarHBondContact O-N 2.78Å; V325-L328 HydrophobicContact CG1-CB 3.68Å; V325-L328 HydrophobicContact CG1-CD2 4.13Å; V325-L328 HydrophobicContact CG1-CG 4.43Å; V325-A329 HydrophobicContact CB-CB 4.47Å |
| 326 | G | 78.6 | Confident | 74.7 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | -98.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I322 L328 A329 I330 | I322-G326 WeakPolarHBondContact O-CA 2.96Å; I322-G326 PolarHBondContact O-N 3.48Å; G326-L328 PolarHBondContact O-N 3.06Å; G326-A329 PolarHBondContact O-N 2.65Å; G326-I330 WeakPolarHBondContact O-CD1 3.43Å; G326-I330 VanDerWaalsContact O-CG1 3.23Å; G326-I330 WeakPolarHBondContact O-CG1 3.44Å; G326-I330 PolarHBondContact O-N 3.32Å |
| 327 | F | 83.4 | Confident | 74.7 | Confident | 93 Ų | 93 | 59.1 Ų | 59.1 | 41% | 0.408 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -53.9 | -47.7 | -173.9 | -175 | -88.9 | 0 | 0 | 0 | 113.9 | V325 L331 S361 I364 | V325-F327 PolarHBondContact O-N 2.78Å; F327-L331 HydrophobicContact CE1-CD2 4.46Å; F327-L331 VanDerWaalsContact O-CB 3.3Å; F327-L331 WeakPolarHBondContact O-CB 3.39Å; F327-L331 PolarHBondContact O-N 2.88Å; F327-S361 WeakPolarHBondContact CA-OG 3.47Å; F327-S361 WeakPolarHBondContact CD2-OG 3.43Å; F327-S361 VanDerWaalsContact CE2-OG 3.29Å; F327-S361 WeakPolarHBondContact CE2-OG 3.24Å; F327-S361 VanDerWaalsContact CG-OG 3.29Å; F327-S361 WeakPolarHBondContact CG-OG 3.49Å; F327-S361 PolarHBondContact O-OG 2.78Å; F327-I364 HydrophobicContact CZ-CD1 3.77Å |
| 328 | L | 84.4 | Confident | 74.5 | Confident | 97 Ų | 97 | 56.4 Ų | 56.4 | 51% | 0.508 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.6 | -37.6 | -176.7 | -177 | 63.8 | 0 | 0 | 0 | 111.8 | V325 G326 L331 V332 | V325-L328 HydrophobicContact CG1-CB 3.68Å; V325-L328 HydrophobicContact CG1-CD2 4.13Å; V325-L328 HydrophobicContact CG1-CG 4.43Å; G326-L328 PolarHBondContact O-N 3.06Å; L328-L331 HydrophobicContact CD1-CD2 4.23Å; L328-L331 WeakPolarHBondContact O-CB 2.89Å; L328-L331 PolarHBondContact O-N 3.03Å; L328-V332 WeakPolarHBondContact O-CG2 3.25Å; L328-V332 PolarHBondContact O-N 3.46Å |
| 329 | A | 81.1 | Confident | 74.4 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 7% | 0.066 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | T321 I322 V325 G326 L331 V332 C333 | T321-A329 HydrophobicContact CG2-CB 3.73Å; T321-A329 WeakPolarHBondContact O-CB 3.14Å; I322-A329 HydrophobicContact CB-CB 4.44Å; I322-A329 HydrophobicContact CG1-CB 3.84Å; V325-A329 HydrophobicContact CB-CB 4.47Å; G326-A329 PolarHBondContact O-N 2.65Å; A329-L331 VanDerWaalsContact C-N 3.3Å; A329-L331 PolarHBondContact O-N 3.49Å; A329-V332 PolarHBondContact O-N 2.84Å; A329-C333 PolarHBondContact O-N 3.49Å; A329-C333 PolarHBondContact O-SG 3.4Å |
| 330 | I | 81.8 | Confident | 74.4 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 176.9 | -60.8 | 165 | 0 | 0 | 0 | 110.2 | I322 G326 V332 C333 A334 V353 F358 S361 T362 | I322-I330 HydrophobicContact CG1-CG1 4.26Å; I322-I330 HydrophobicContact CG2-CG1 4.41Å; G326-I330 WeakPolarHBondContact O-CD1 3.43Å; G326-I330 VanDerWaalsContact O-CG1 3.23Å; G326-I330 WeakPolarHBondContact O-CG1 3.44Å; G326-I330 PolarHBondContact O-N 3.32Å; I330-V332 PolarHBondContact O-N 3.44Å; I330-C333 PolarHBondContact O-N 2.87Å; I330-A334 WeakPolarHBondContact O-CB 3.13Å; I330-A334 PolarHBondContact O-N 3.37Å; I330-V353 HydrophobicContact CD1-CG1 4.14Å; I330-F358 HydrophobicContact CG2-CD2 3.96Å; I330-S361 VanDerWaalsContact CG2-CB 3.48Å; I330-T362 HydrophobicContact CG2-CG2 3.97Å |
| 331 | L | 85.9 | Confident | 74.6 | Confident | 23 Ų | 23 | 52.9 Ų | 52.9 | 12% | 0.12 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 178.3 | 179.1 | 67.3 | 0 | 0 | 0 | 111.9 | F327 L328 A329 A334 S335 S361 I364 I369 | F327-L331 HydrophobicContact CE1-CD2 4.46Å; F327-L331 VanDerWaalsContact O-CB 3.3Å; F327-L331 WeakPolarHBondContact O-CB 3.39Å; F327-L331 PolarHBondContact O-N 2.88Å; L328-L331 HydrophobicContact CD1-CD2 4.23Å; L328-L331 WeakPolarHBondContact O-CB 2.89Å; L328-L331 PolarHBondContact O-N 3.03Å; A329-L331 VanDerWaalsContact C-N 3.3Å; A329-L331 PolarHBondContact O-N 3.49Å; L331-A334 PolarHBondContact O-N 3.36Å; L331-S335 WeakPolarHBondContact O-CB 3.5Å; L331-S335 PolarHBondContact O-N 2.76Å; L331-S335 PolarHBondContact O-OG 3.44Å; L331-S361 VanDerWaalsContact CD1-O 3.24Å; L331-S361 WeakPolarHBondContact CD1-O 3.33Å; L331-I364 HydrophobicContact CD1-CB 3.84Å; L331-I364 HydrophobicContact CD1-CG2 3.64Å; L331-I369 HydrophobicContact CD1-CD1 3.84Å; L331-I369 HydrophobicContact CD2-CD1 4.21Å; L331-I369 HydrophobicContact CG-CD1 4.05Å |
| 332 | V | 83.8 | Confident | 74.7 | Confident | 79 Ų | 79 | 52.7 Ų | 52.7 | 48% | 0.479 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.7 | -48 | 177.6 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | L328 A329 I330 A334 S335 I336 | L328-V332 WeakPolarHBondContact O-CG2 3.25Å; L328-V332 PolarHBondContact O-N 3.46Å; A329-V332 PolarHBondContact O-N 2.84Å; I330-V332 PolarHBondContact O-N 3.44Å; V332-A334 VanDerWaalsContact C-N 3.3Å; V332-A334 PolarHBondContact O-N 3.47Å; V332-S335 PolarHBondContact O-N 2.96Å; V332-S335 VanDerWaalsContact O-N 3.15Å; V332-I336 HydrophobicContact CG1-CD1 4.27Å; V332-I336 WeakPolarHBondContact O-CG1 3.03Å |
| 333 | C | 77.1 | Confident | 74.6 | Confident | 10 Ų | 10 | 54 Ų | 54 | 7% | 0.068 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 177.3 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | A329 I330 S335 I336 A344 | A329-C333 PolarHBondContact O-N 3.49Å; A329-C333 PolarHBondContact O-SG 3.4Å; I330-C333 PolarHBondContact O-N 2.87Å; C333-S335 VanDerWaalsContact C-N 3.28Å; C333-S335 PolarHBondContact O-N 3.27Å; C333-I336 PolarHBondContact O-N 3.07Å; C333-A344 HydrophobicContact CB-CB 4.05Å |
| 334 | A | 78.9 | Confident | 75.1 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.4 | -20.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I330 L331 V332 I336 F341 T362 K366 | I330-A334 WeakPolarHBondContact O-CB 3.13Å; I330-A334 PolarHBondContact O-N 3.37Å; L331-A334 PolarHBondContact O-N 3.36Å; V332-A334 VanDerWaalsContact C-N 3.3Å; V332-A334 PolarHBondContact O-N 3.47Å; A334-I336 VanDerWaalsContact C-N 3.33Å; A334-F341 HydrophobicContact CB-CD2 3.99Å; A334-F341 HydrophobicContact CB-CE2 4.18Å; A334-T362 HydrophobicContact CB-CG2 3.98Å; A334-K366 WeakPolarHBondContact O-CG 3.44Å |
| 335 | S | 77.8 | Confident | 75.6 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -80.6 | -15.6 | 177.5 | -58.9 | 0 | 0 | 0 | 0 | 112.7 | L331 V332 C333 G365 | L331-S335 WeakPolarHBondContact O-CB 3.5Å; L331-S335 PolarHBondContact O-N 2.76Å; L331-S335 PolarHBondContact O-OG 3.44Å; V332-S335 PolarHBondContact O-N 2.96Å; V332-S335 VanDerWaalsContact O-N 3.15Å; C333-S335 VanDerWaalsContact C-N 3.28Å; C333-S335 PolarHBondContact O-N 3.27Å; S335-G365 WeakPolarHBondContact OG-CA 3.2Å |
| 336 | I | 72 | Confident | 75.9 | Confident | 71 Ų | 71 | 37.2 Ų | 37.2 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -94.7 | 149.5 | -178.7 | -59.1 | 169.1 | 0 | 0 | 0 | 109.4 | V332 C333 A334 L340 | V332-I336 HydrophobicContact CG1-CD1 4.27Å; V332-I336 WeakPolarHBondContact O-CG1 3.03Å; C333-I336 PolarHBondContact O-N 3.07Å; A334-I336 VanDerWaalsContact C-N 3.33Å; I336-L340 HydrophobicContact CB-CD1 3.96Å; I336-L340 HydrophobicContact CD1-CD1 3.96Å; I336-L340 HydrophobicContact CG2-CD1 3.57Å; I336-L340 HydrophobicContact CG2-CG 4.45Å |
| 337 | P | 64.7 | Low | 75.7 | Confident | 89 Ų | 89 | 37 Ų | 37 | 58% | 0.578 | 21% | 0.208 | S | C | * | . | trans | -43.4 | 152.6 | 176.8 | 5.6 | -25 | 0 | 0 | 0 | 115.9 | P339 L340 | P337-P339 WeakPolarHBondContact O-CD 3.14Å; P337-P339 VanDerWaalsContact O-N 3.07Å; P337-L340 PolarHBondContact O-N 3.29Å | ||
| 338 | N | 64.3 | Low | 75.7 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.043 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48 | -33.6 | -157.5 | -70.2 | 16.4 | 0 | 0 | 0 | 119.2 | G151 G153 L340 F341 D342 K370 | G151-N338 WeakPolarHBondContact O-CB 3.25Å; G151-N338 PolarHBondContact O-ND2 3.28Å; G153-N338 PolarHBondContact N-ND2 3.47Å; N338-L340 VanDerWaalsContact C-N 3.26Å; N338-L340 PolarHBondContact O-N 3.34Å; N338-F341 WeakPolarHBondContact O-CB 3.38Å; N338-F341 PolarHBondContact O-N 2.99Å; N338-D342 PolarHBondContact O-N 2.79Å; N338-K370 PolarHBondContact OD1-NZ 3.21Å |
| 339 | P | 64.3 | Low | 75.6 | Confident | 87 Ų | 87 | 27.9 Ų | 27.9 | 57% | 0.565 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -57.9 | -33.9 | -178.2 | -28.3 | 36.1 | 0 | 0 | 0 | 114.9 | P337 F341 | P337-P339 WeakPolarHBondContact O-CD 3.14Å; P337-P339 VanDerWaalsContact O-N 3.07Å; P339-F341 VanDerWaalsContact C-N 3.32Å |
| 340 | L | 67.5 | Low | 75.5 | Confident | 52 Ų | 52 | 31.4 Ų | 31.4 | 27% | 0.272 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -75.9 | -23.4 | 177.7 | -69.2 | -176.8 | 0 | 0 | 0 | 113 | I318 I336 P337 N338 A344 | I318-L340 HydrophobicContact CD1-CD2 4.12Å; I336-L340 HydrophobicContact CB-CD1 3.96Å; I336-L340 HydrophobicContact CD1-CD1 3.96Å; I336-L340 HydrophobicContact CG2-CD1 3.57Å; I336-L340 HydrophobicContact CG2-CG 4.45Å; P337-L340 PolarHBondContact O-N 3.29Å; N338-L340 VanDerWaalsContact C-N 3.26Å; N338-L340 PolarHBondContact O-N 3.34Å; L340-A344 WeakPolarHBondContact O-CB 3.11Å; L340-A344 PolarHBondContact O-N 2.84Å |
| 341 | F | 74.2 | Confident | 75.5 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.4 | -48.9 | -179.9 | -176.7 | -81.2 | 0 | 0 | 0 | 111.1 | E269 A334 N338 P339 L343 A344 G345 F358 T362 K366 | E269-F341 HydrophobicContact CB-CD1 3.58Å; E269-F341 HydrophobicContact CB-CE1 3.19Å; E269-F341 HydrophobicContact CB-CZ 3.83Å; E269-F341 HydrophobicContact CG-CD1 4.26Å; E269-F341 HydrophobicContact CG-CE1 4.28Å; E269-F341 WeakPolarHBondContact O-CE1 3.06Å; E269-F341 WeakPolarHBondContact OE2-CB 3.18Å; E269-F341 WeakPolarHBondContact OE2-CD1 3.18Å; E269-F341 WeakPolarHBondContact OE2-CE1 3.43Å; E269-F341 WeakPolarHBondContact OE2-CG 3.46Å; A334-F341 HydrophobicContact CB-CD2 3.99Å; A334-F341 HydrophobicContact CB-CE2 4.18Å; N338-F341 WeakPolarHBondContact O-CB 3.38Å; N338-F341 PolarHBondContact O-N 2.99Å; P339-F341 VanDerWaalsContact C-N 3.32Å; F341-L343 PolarHBondContact O-N 3.18Å; F341-A344 CarbonylContact O-C 3.58Å; F341-A344 PolarHBondContact O-N 2.92Å; F341-G345 PolarHBondContact O-N 3.43Å; F341-F358 HydrophobicContact CE1-CZ 4.07Å; F341-F358 HydrophobicContact CZ-CE2 4.42Å; F341-F358 AromaticContact CZ-CZ 3.81Å; F341-F358 HydrophobicContact CZ-CZ 3.81Å; F341-T362 HydrophobicContact CD2-CG2 4.15Å; F341-T362 HydrophobicContact CE2-CG2 3.2Å; F341-T362 HydrophobicContact CZ-CG2 3.63Å; F341-K366 HydrophobicContact CD2-CD 4.33Å; F341-K366 HydrophobicContact CE2-CD 4.09Å |
| 342 | D | 71.5 | Confident | 75.3 | Confident | 50 Ų | 50 | 37.9 Ų | 37.9 | 27% | 0.267 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.9 | -44 | -178.6 | -67.3 | -18.8 | 0 | 0 | 0 | 109.6 | N338 G345 I346 | N338-D342 PolarHBondContact O-N 2.79Å; D342-G345 PolarHBondContact O-N 3.16Å; D342-I346 VanDerWaalsContact O-CD1 3.22Å; D342-I346 WeakPolarHBondContact O-CD1 3.18Å; D342-I346 VanDerWaalsContact O-CG1 3.23Å; D342-I346 WeakPolarHBondContact O-CG1 3.46Å; D342-I346 PolarHBondContact O-N 3.18Å |
| 343 | L | 67.9 | Low | 75.4 | Confident | 38 Ų | 38 | 35.1 Ų | 35.1 | 20% | 0.199 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.1 | -53.7 | 172.1 | -177.8 | 63.4 | 0 | 0 | 0 | 111.9 | F341 G345 I346 T347 | F341-L343 PolarHBondContact O-N 3.18Å; L343-G345 PolarHBondContact O-N 2.79Å; L343-I346 PolarHBondContact O-N 3.04Å; L343-T347 WeakPolarHBondContact O-CB 3.42Å; L343-T347 PolarHBondContact O-N 2.67Å; L343-T347 PolarHBondContact O-OG1 3.23Å |
| 344 | A | 77 | Confident | 75.9 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 2% | 0.017 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.4 | -35.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C333 L340 F341 C348 | C333-A344 HydrophobicContact CB-CB 4.05Å; L340-A344 WeakPolarHBondContact O-CB 3.11Å; L340-A344 PolarHBondContact O-N 2.84Å; F341-A344 CarbonylContact O-C 3.58Å; F341-A344 PolarHBondContact O-N 2.92Å; A344-C348 WeakPolarHBondContact O-CB 3.35Å; A344-C348 PolarHBondContact O-N 2.81Å; A344-C348 PolarHBondContact O-SG 3.39Å |
| 345 | G | 80.9 | Confident | 76.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.4 | -47.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y273 F341 D342 L343 C348 G349 | Y273-G345 WeakPolarHBondContact CA-O 3.4Å; F341-G345 PolarHBondContact O-N 3.43Å; D342-G345 PolarHBondContact O-N 3.16Å; L343-G345 PolarHBondContact O-N 2.79Å; G345-C348 PolarHBondContact O-N 3.03Å; G345-G349 PolarHBondContact O-N 2.6Å |
| 346 | I | 76.6 | Confident | 77 | Confident | 28 Ų | 28 | 48.1 Ų | 48.1 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64 | -50.9 | 177.5 | -61.6 | 151.6 | 0 | 0 | 0 | 110.4 | P272 A276 F294 L298 D342 L343 C348 G349 H350 | P272-I346 HydrophobicContact CB-CG1 4.07Å; A276-I346 HydrophobicContact CB-CG2 4.18Å; A276-I346 WeakPolarHBondContact CB-O 3.21Å; F294-I346 HydrophobicContact CE1-CD1 3.88Å; F294-I346 HydrophobicContact CE1-CG1 3.72Å; F294-I346 HydrophobicContact CZ-CD1 3.54Å; F294-I346 HydrophobicContact CZ-CG1 3.66Å; L298-I346 HydrophobicContact CD1-CD1 3.5Å; L298-I346 VanDerWaalsContact CD1-CD1 3.5Å; L298-I346 HydrophobicContact CD1-CG1 4.25Å; L298-I346 HydrophobicContact CD1-CG2 4.35Å; L298-I346 HydrophobicContact CD2-CD1 3.26Å; L298-I346 HydrophobicContact CG-CD1 3.97Å; D342-I346 VanDerWaalsContact O-CD1 3.22Å; D342-I346 WeakPolarHBondContact O-CD1 3.18Å; D342-I346 VanDerWaalsContact O-CG1 3.23Å; D342-I346 WeakPolarHBondContact O-CG1 3.46Å; D342-I346 PolarHBondContact O-N 3.18Å; L343-I346 PolarHBondContact O-N 3.04Å; I346-C348 VanDerWaalsContact C-N 3.33Å; I346-C348 PolarHBondContact O-N 2.97Å; I346-G349 PolarHBondContact O-N 3.49Å; I346-G349 VanDerWaalsContact O-N 3.1Å; I346-H350 WeakPolarHBondContact O-CB 3.27Å; I346-H350 PolarHBondContact O-N 3.39Å |
| 347 | T | 75 | Confident | 77.7 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -46.8 | 178.4 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | E319 I322 L343 G349 H350 F351 | E319-T347 HydrophobicContact CG-CG2 4.07Å; I322-T347 HydrophobicContact CD1-CG2 4.36Å; L343-T347 WeakPolarHBondContact O-CB 3.42Å; L343-T347 PolarHBondContact O-N 2.67Å; L343-T347 PolarHBondContact O-OG1 3.23Å; T347-G349 VanDerWaalsContact C-N 3.32Å; T347-G349 PolarHBondContact O-N 2.85Å; T347-H350 PolarHBondContact O-N 2.66Å; T347-F351 HydrophobicContact CG2-CD2 3.63Å; T347-F351 HydrophobicContact CG2-CE2 3.74Å; T347-F351 WeakPolarHBondContact O-CD2 3.2Å; T347-F351 PolarHBondContact O-N 2.88Å |
| 348 | C | 83.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -34.9 | 177.3 | -72.5 | 0 | 0 | 0 | 0 | 112.9 | Y273 A344 G345 I346 L352 V353 F358 | Y273-C348 HydrophobicContact CD2-CB 3.95Å; Y273-C348 HydrophobicContact CE2-CB 4.11Å; A344-C348 WeakPolarHBondContact O-CB 3.35Å; A344-C348 PolarHBondContact O-N 2.81Å; A344-C348 PolarHBondContact O-SG 3.39Å; G345-C348 PolarHBondContact O-N 3.03Å; I346-C348 VanDerWaalsContact C-N 3.33Å; I346-C348 PolarHBondContact O-N 2.97Å; C348-L352 PolarHBondContact O-N 3.28Å; C348-V353 HydrophobicContact CB-CB 4Å; C348-V353 HydrophobicContact CB-CG2 4.1Å; C348-V353 WeakPolarHBondContact O-CB 2.93Å; C348-V353 PolarHBondContact O-N 2.83Å; C348-F358 HydrophobicContact CB-CD2 3.82Å; C348-F358 HydrophobicContact CB-CE2 4.35Å; C348-F358 HydrophobicContact CB-CG 4.3Å |
| 349 | G | 83 | Confident | 80.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.1 | -48.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | R277 G345 I346 T347 L352 | R277-G349 VanDerWaalsContact CA-O 3.3Å; R277-G349 WeakPolarHBondContact CA-O 3.25Å; G345-G349 PolarHBondContact O-N 2.6Å; I346-G349 PolarHBondContact O-N 3.49Å; I346-G349 VanDerWaalsContact O-N 3.1Å; T347-G349 VanDerWaalsContact C-N 3.32Å; T347-G349 PolarHBondContact O-N 2.85Å; G349-L352 PolarHBondContact O-N 3.45Å; G349-L352 VanDerWaalsContact O-N 3.1Å |
| 350 | H | 77.6 | Confident | 81.5 | Confident | 82 Ų | 82 | 43.7 Ų | 43.7 | 38% | 0.38 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 178.5 | -176.9 | -87.6 | 0 | 0 | 0 | 112.2 | E280 I346 T347 L352 | E280-H350 WeakPolarHBondContact CG-O 3.27Å; E280-H350 IonicContact OE2-CD2 2.81Å; E280-H350 IonicContact OE2-NE2 2.96Å; I346-H350 WeakPolarHBondContact O-CB 3.27Å; I346-H350 PolarHBondContact O-N 3.39Å; T347-H350 PolarHBondContact O-N 2.66Å; H350-L352 PolarHBondContact O-N 2.8Å |
| 351 | F | 81.4 | Confident | 82.5 | Confident | 95 Ų | 95 | 41.2 Ų | 41.2 | 42% | 0.417 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 13.5 | 176.2 | -68.8 | -67.3 | 0 | 0 | 0 | 114.1 | T347 V353 | T347-F351 HydrophobicContact CG2-CD2 3.63Å; T347-F351 HydrophobicContact CG2-CE2 3.74Å; T347-F351 WeakPolarHBondContact O-CD2 3.2Å; T347-F351 PolarHBondContact O-N 2.88Å; F351-V353 HydrophobicContact CB-CG2 4.38Å; F351-V353 PolarHBondContact O-N 2.79Å; F351-V353 VanDerWaalsContact O-N 3.08Å |
| 352 | L | 83.4 | Confident | 83.2 | Confident | 65 Ų | 65 | 41.2 Ų | 41.2 | 34% | 0.34 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 33.3 | 177.6 | -56.1 | 177.3 | 0 | 0 | 0 | 114 | R277 E280 L281 C348 G349 H350 | R277-L352 HydrophobicContact CG-CD2 3.85Å; E280-L352 HydrophobicContact CB-CD2 3.92Å; E280-L352 HydrophobicContact CB-CG 4.48Å; E280-L352 HydrophobicContact CG-CD1 4.04Å; E280-L352 HydrophobicContact CG-CD2 3.79Å; E280-L352 HydrophobicContact CG-CG 3.84Å; L281-L352 HydrophobicContact CD2-CD1 4.16Å; L281-L352 HydrophobicContact CD2-CD2 3.96Å; L281-L352 HydrophobicContact CG-CD2 3.86Å; C348-L352 PolarHBondContact O-N 3.28Å; G349-L352 PolarHBondContact O-N 3.45Å; G349-L352 VanDerWaalsContact O-N 3.1Å; H350-L352 PolarHBondContact O-N 2.8Å |
| 353 | V | 84.7 | Confident | 84.2 | Confident | 21 Ų | 21 | 41.5 Ų | 41.5 | 13% | 0.127 | 20% | 0.199 | C | C | . | . | trans | -58.5 | 132.5 | 178.3 | 176.6 | 0 | 0 | 0 | 0 | 108.9 | Y273 I322 I330 C348 F351 F355 K357 | Y273-V353 PolarHBondContact OH-O 3.16Å; I322-V353 HydrophobicContact CG2-CG2 4.46Å; I330-V353 HydrophobicContact CD1-CG1 4.14Å; C348-V353 HydrophobicContact CB-CB 4Å; C348-V353 HydrophobicContact CB-CG2 4.1Å; C348-V353 WeakPolarHBondContact O-CB 2.93Å; C348-V353 PolarHBondContact O-N 2.83Å; F351-V353 HydrophobicContact CB-CG2 4.38Å; F351-V353 PolarHBondContact O-N 2.79Å; F351-V353 VanDerWaalsContact O-N 3.08Å; V353-F355 PolarHBondContact O-N 3.18Å; V353-K357 HydrophobicContact CG1-CB 4.21Å | ||
| 354 | P | 88.3 | Confident | 85.4 | Confident | 65 Ų | 65 | 42.7 Ų | 42.7 | 42% | 0.422 | 21% | 0.205 | S | C | . | . | trans | -53.5 | 134 | -179.6 | -28.2 | 33.8 | 0 | 0 | 0 | 112.8 | W356 K357 F358 | P354-W356 VanDerWaalsContact C-N 3.29Å; P354-W356 PolarHBondContact O-N 3.13Å; P354-K357 HydrophobicContact CB-CD 4.44Å; P354-K357 HydrophobicContact CB-CG 4.32Å; P354-K357 HydrophobicContact CG-CD 4.23Å; P354-K357 WeakPolarHBondContact O-CB 3.3Å; P354-K357 PolarHBondContact O-N 3.34Å; P354-F358 PolarHBondContact O-N 3.26Å | ||
| 355 | F | 89.6 | Confident | 86 | Confident | 51 Ų | 51 | 42.6 Ų | 42.6 | 22% | 0.224 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -50.7 | -47.5 | -175.4 | 169.4 | -101.9 | 0 | 0 | 0 | 112.4 | L270 Y273 F274 V353 K357 F358 F359 | L270-F355 HydrophobicContact CD1-CE2 3.98Å; L270-F355 HydrophobicContact CD2-CE2 4Å; L270-F355 HydrophobicContact CD2-CZ 4.45Å; L270-F355 HydrophobicContact CG-CE2 4.35Å; Y273-F355 HydrophobicContact CD1-CD2 4.38Å; Y273-F355 HydrophobicContact CE1-CB 4.31Å; Y273-F355 AromaticContact CE1-CD2 3.81Å; Y273-F355 HydrophobicContact CE1-CD2 3.81Å; Y273-F355 VanDerWaalsContact OH-CA 3.23Å; Y273-F355 WeakPolarHBondContact OH-CA 3.28Å; Y273-F355 PolarHBondContact OH-N 2.88Å; Y273-F355 VanDerWaalsContact OH-N 3.17Å; F274-F355 HydrophobicContact CE1-CD2 4.21Å; F274-F355 HydrophobicContact CE2-CE2 4.11Å; F274-F355 AromaticContact CZ-CD2 3.73Å; F274-F355 HydrophobicContact CZ-CD2 3.73Å; F274-F355 AromaticContact CZ-CE2 3.63Å; F274-F355 HydrophobicContact CZ-CE2 3.63Å; V353-F355 PolarHBondContact O-N 3.18Å; F355-K357 VanDerWaalsContact C-N 3.3Å; F355-K357 PolarHBondContact O-N 2.92Å; F355-F358 PolarHBondContact O-N 2.89Å; F355-F359 HydrophobicContact CD1-CB 4.41Å; F355-F359 HydrophobicContact CD2-CB 4.24Å; F355-F359 HydrophobicContact CE1-CB 3.97Å; F355-F359 HydrophobicContact CE1-CD1 4.09Å; F355-F359 HydrophobicContact CE1-CG 4.15Å; F355-F359 HydrophobicContact CE2-CB 3.79Å; F355-F359 HydrophobicContact CE2-CG 4.15Å; F355-F359 HydrophobicContact CZ-CB 3.63Å; F355-F359 AromaticContact CZ-CD1 3.92Å; F355-F359 HydrophobicContact CZ-CD1 3.92Å; F355-F359 HydrophobicContact CZ-CD2 4.22Å; F355-F359 AromaticContact CZ-CG 3.64Å; F355-F359 HydrophobicContact CZ-CG 3.64Å; F355-F359 VanDerWaalsContact O-CB 3.28Å; F355-F359 WeakPolarHBondContact O-CB 3.39Å; F355-F359 PolarHBondContact O-N 3.4Å |
| 356 | W | 89.1 | Confident | 86.3 | Confident | 194 Ų | 194 | 42.6 Ų | 42.6 | 74% | 0.735 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -66.8 | -27.1 | -178.4 | -73.8 | 108.8 | 0 | 0 | 0 | 114.2 | P354 F359 G360 | P354-W356 VanDerWaalsContact C-N 3.29Å; P354-W356 PolarHBondContact O-N 3.13Å; W356-F359 HydrophobicContact CE3-CD1 4.4Å; W356-F359 HydrophobicContact CZ3-CD1 4.2Å; W356-G360 WeakPolarHBondContact O-CA 3.11Å; W356-G360 PolarHBondContact O-N 3.29Å |
| 357 | K | 88.2 | Confident | 87 | Confident | 115 Ų | 115 | 41.4 Ų | 41.4 | 50% | 0.5 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -69.9 | -46.7 | 172.8 | -71.9 | -174.1 | -179.6 | 176.4 | 0 | 110.1 | V353 P354 F355 S361 | V353-K357 HydrophobicContact CG1-CB 4.21Å; P354-K357 HydrophobicContact CB-CD 4.44Å; P354-K357 HydrophobicContact CB-CG 4.32Å; P354-K357 HydrophobicContact CG-CD 4.23Å; P354-K357 WeakPolarHBondContact O-CB 3.3Å; P354-K357 PolarHBondContact O-N 3.34Å; F355-K357 VanDerWaalsContact C-N 3.3Å; F355-K357 PolarHBondContact O-N 2.92Å; K357-S361 WeakPolarHBondContact O-CB 3.29Å; K357-S361 PolarHBondContact O-N 3.13Å; K357-S361 PolarHBondContact O-OG 3.3Å; K357-S361 VanDerWaalsContact O-OG 3.09Å |
| 358 | F | 88.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.8 | -58.8 | 177.5 | 172.9 | -109.4 | 0 | 0 | 0 | 111.7 | L270 Y273 I330 F341 C348 P354 F355 G360 S361 T362 | L270-F358 HydrophobicContact CD1-CD1 4.36Å; L270-F358 HydrophobicContact CD1-CE1 3.9Å; Y273-F358 VanDerWaalsContact CB-CE1 3.45Å; Y273-F358 HydrophobicContact CD1-CD1 4.08Å; Y273-F358 HydrophobicContact CD1-CE1 4.28Å; Y273-F358 HydrophobicContact CD2-CB 4.31Å; Y273-F358 AromaticContact CD2-CD1 3.48Å; Y273-F358 HydrophobicContact CD2-CD1 3.48Å; Y273-F358 VanDerWaalsContact CD2-CD1 3.48Å; Y273-F358 HydrophobicContact CD2-CD2 4.36Å; Y273-F358 AromaticContact CD2-CE1 3.8Å; Y273-F358 HydrophobicContact CD2-CE1 3.8Å; Y273-F358 AromaticContact CD2-CG 3.79Å; Y273-F358 HydrophobicContact CD2-CG 3.79Å; Y273-F358 HydrophobicContact CD2-CZ 4.38Å; Y273-F358 HydrophobicContact CE1-CD1 4.49Å; Y273-F358 HydrophobicContact CE2-CB 4.03Å; Y273-F358 AromaticContact CE2-CD1 3.94Å; Y273-F358 HydrophobicContact CE2-CD1 3.94Å; Y273-F358 HydrophobicContact CE2-CG 4.03Å; Y273-F358 AromaticContact CG-CD1 3.56Å; Y273-F358 HydrophobicContact CG-CD1 3.56Å; Y273-F358 AromaticContact CG-CE1 3.57Å; Y273-F358 HydrophobicContact CG-CE1 3.57Å; Y273-F358 HydrophobicContact CG-CG 4.33Å; Y273-F358 HydrophobicContact CG-CZ 4.36Å; I330-F358 HydrophobicContact CG2-CD2 3.96Å; F341-F358 HydrophobicContact CE1-CZ 4.07Å; F341-F358 HydrophobicContact CZ-CE2 4.42Å; F341-F358 AromaticContact CZ-CZ 3.81Å; F341-F358 HydrophobicContact CZ-CZ 3.81Å; C348-F358 HydrophobicContact CB-CD2 3.82Å; C348-F358 HydrophobicContact CB-CE2 4.35Å; C348-F358 HydrophobicContact CB-CG 4.3Å; P354-F358 PolarHBondContact O-N 3.26Å; F355-F358 PolarHBondContact O-N 2.89Å; F358-G360 PolarHBondContact O-N 3.49Å; F358-S361 PolarHBondContact O-N 2.03Å; F358-T362 HydrophobicContact CD2-CG2 3.83Å; F358-T362 HydrophobicContact CE1-CG2 4.4Å; F358-T362 HydrophobicContact CE2-CG2 3.52Å; F358-T362 HydrophobicContact CG-CG2 4.39Å; F358-T362 HydrophobicContact CZ-CG2 3.84Å; F358-T362 WeakPolarHBondContact O-CB 3.35Å; F358-T362 WeakPolarHBondContact O-CG2 3.33Å; F358-T362 PolarHBondContact O-N 2.83Å; F358-T362 PolarHBondContact O-OG1 3.15Å |
| 359 | F | 91.3 | Very high | 88.1 | Confident | 29 Ų | 29 | 47.5 Ų | 47.5 | 13% | 0.127 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | -177.7 | -176.8 | -113.5 | 0 | 0 | 0 | 112.7 | L267 L270 F355 W356 T362 L363 | L267-F359 HydrophobicContact CD2-CE2 3.74Å; L267-F359 HydrophobicContact CD2-CZ 3.83Å; L267-F359 HydrophobicContact CG-CE2 4.39Å; L270-F359 HydrophobicContact CD1-CD2 3.82Å; F355-F359 HydrophobicContact CD1-CB 4.41Å; F355-F359 HydrophobicContact CD2-CB 4.24Å; F355-F359 HydrophobicContact CE1-CB 3.97Å; F355-F359 HydrophobicContact CE1-CD1 4.09Å; F355-F359 HydrophobicContact CE1-CG 4.15Å; F355-F359 HydrophobicContact CE2-CB 3.79Å; F355-F359 HydrophobicContact CE2-CG 4.15Å; F355-F359 HydrophobicContact CZ-CB 3.63Å; F355-F359 AromaticContact CZ-CD1 3.92Å; F355-F359 HydrophobicContact CZ-CD1 3.92Å; F355-F359 HydrophobicContact CZ-CD2 4.22Å; F355-F359 AromaticContact CZ-CG 3.64Å; F355-F359 HydrophobicContact CZ-CG 3.64Å; F355-F359 VanDerWaalsContact O-CB 3.28Å; F355-F359 WeakPolarHBondContact O-CB 3.39Å; F355-F359 PolarHBondContact O-N 3.4Å; W356-F359 HydrophobicContact CE3-CD1 4.4Å; W356-F359 HydrophobicContact CZ3-CD1 4.2Å; F359-T362 VanDerWaalsContact C-OG1 3.3Å; F359-T362 WeakPolarHBondContact CA-OG1 3.22Å; F359-T362 PolarHBondContact O-N 3.39Å; F359-T362 PolarHBondContact O-OG1 3.26Å; F359-L363 HydrophobicContact CE1-CD2 4.24Å; F359-L363 HydrophobicContact CZ-CD1 4.46Å; F359-L363 HydrophobicContact CZ-CD2 4.33Å; F359-L363 WeakPolarHBondContact O-CB 3.43Å; F359-L363 PolarHBondContact O-N 3.22Å |
| 360 | G | 91.4 | Very high | 88.3 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -50.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W356 F358 T362 L363 I364 | W356-G360 WeakPolarHBondContact O-CA 3.11Å; W356-G360 PolarHBondContact O-N 3.29Å; F358-G360 PolarHBondContact O-N 3.49Å; G360-T362 VanDerWaalsContact C-N 3.34Å; G360-T362 PolarHBondContact O-N 3.27Å; G360-L363 PolarHBondContact O-N 3.08Å; G360-I364 WeakPolarHBondContact O-CD1 3.42Å; G360-I364 VanDerWaalsContact O-CG1 3.3Å; G360-I364 WeakPolarHBondContact O-CG1 3.33Å; G360-I364 PolarHBondContact O-N 3.23Å; G360-I364 VanDerWaalsContact O-N 3.08Å |
| 361 | S | 90.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 176.7 | -71.3 | 0 | 0 | 0 | 0 | 112.3 | F327 I330 L331 K357 F358 I364 G365 | F327-S361 WeakPolarHBondContact CA-OG 3.47Å; F327-S361 WeakPolarHBondContact CD2-OG 3.43Å; F327-S361 VanDerWaalsContact CE2-OG 3.29Å; F327-S361 WeakPolarHBondContact CE2-OG 3.24Å; F327-S361 VanDerWaalsContact CG-OG 3.29Å; F327-S361 WeakPolarHBondContact CG-OG 3.49Å; F327-S361 PolarHBondContact O-OG 2.78Å; I330-S361 VanDerWaalsContact CG2-CB 3.48Å; L331-S361 VanDerWaalsContact CD1-O 3.24Å; L331-S361 WeakPolarHBondContact CD1-O 3.33Å; K357-S361 WeakPolarHBondContact O-CB 3.29Å; K357-S361 PolarHBondContact O-N 3.13Å; K357-S361 PolarHBondContact O-OG 3.3Å; K357-S361 VanDerWaalsContact O-OG 3.09Å; F358-S361 PolarHBondContact O-N 2.03Å; S361-I364 PolarHBondContact O-N 3.46Å; S361-G365 PolarHBondContact O-N 2.99Å |
| 362 | T | 88.6 | Confident | 89.3 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.7 | -42 | -178.6 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | I330 A334 F341 F358 F359 G360 I364 G365 K366 | I330-T362 HydrophobicContact CG2-CG2 3.97Å; A334-T362 HydrophobicContact CB-CG2 3.98Å; F341-T362 HydrophobicContact CD2-CG2 4.15Å; F341-T362 HydrophobicContact CE2-CG2 3.2Å; F341-T362 HydrophobicContact CZ-CG2 3.63Å; F358-T362 HydrophobicContact CD2-CG2 3.83Å; F358-T362 HydrophobicContact CE1-CG2 4.4Å; F358-T362 HydrophobicContact CE2-CG2 3.52Å; F358-T362 HydrophobicContact CG-CG2 4.39Å; F358-T362 HydrophobicContact CZ-CG2 3.84Å; F358-T362 WeakPolarHBondContact O-CB 3.35Å; F358-T362 WeakPolarHBondContact O-CG2 3.33Å; F358-T362 PolarHBondContact O-N 2.83Å; F358-T362 PolarHBondContact O-OG1 3.15Å; F359-T362 VanDerWaalsContact C-OG1 3.3Å; F359-T362 WeakPolarHBondContact CA-OG1 3.22Å; F359-T362 PolarHBondContact O-N 3.39Å; F359-T362 PolarHBondContact O-OG1 3.26Å; G360-T362 VanDerWaalsContact C-N 3.34Å; G360-T362 PolarHBondContact O-N 3.27Å; T362-I364 PolarHBondContact O-N 3.21Å; T362-G365 PolarHBondContact O-N 3Å; T362-K366 WeakPolarHBondContact O-CB 3.4Å; T362-K366 PolarHBondContact O-N 2.98Å |
| 363 | L | 92.5 | Very high | 89.5 | Confident | 56 Ų | 56 | 43.8 Ų | 43.8 | 29% | 0.293 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.9 | -44.8 | 174.9 | -175.5 | 66.9 | 0 | 0 | 0 | 111 | A263 A266 F359 G360 A367 | A263-L363 HydrophobicContact CB-CD1 3.69Å; A266-L363 HydrophobicContact CB-CD1 4.33Å; F359-L363 HydrophobicContact CE1-CD2 4.24Å; F359-L363 HydrophobicContact CZ-CD1 4.46Å; F359-L363 HydrophobicContact CZ-CD2 4.33Å; F359-L363 WeakPolarHBondContact O-CB 3.43Å; F359-L363 PolarHBondContact O-N 3.22Å; G360-L363 PolarHBondContact O-N 3.08Å; L363-A367 HydrophobicContact CD1-CB 4.04Å; L363-A367 HydrophobicContact CG-CB 4.47Å; L363-A367 WeakPolarHBondContact O-CA 3.24Å; L363-A367 WeakPolarHBondContact O-CB 3.29Å; L363-A367 PolarHBondContact O-N 3.48Å |
| 364 | I | 92.2 | Very high | 89.7 | Confident | 63 Ų | 63 | 44.3 Ų | 44.3 | 32% | 0.323 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -66.5 | -46.3 | 177.4 | -65.8 | 163.2 | 0 | 0 | 0 | 110.6 | F327 L331 G360 S361 T362 K366 I368 I369 | F327-I364 HydrophobicContact CZ-CD1 3.77Å; L331-I364 HydrophobicContact CD1-CB 3.84Å; L331-I364 HydrophobicContact CD1-CG2 3.64Å; G360-I364 WeakPolarHBondContact O-CD1 3.42Å; G360-I364 VanDerWaalsContact O-CG1 3.3Å; G360-I364 WeakPolarHBondContact O-CG1 3.33Å; G360-I364 PolarHBondContact O-N 3.23Å; G360-I364 VanDerWaalsContact O-N 3.08Å; S361-I364 PolarHBondContact O-N 3.46Å; T362-I364 PolarHBondContact O-N 3.21Å; I364-K366 PolarHBondContact O-N 2.78Å; I364-I368 HydrophobicContact CG1-CD1 4.48Å; I364-I368 HydrophobicContact CG2-CD1 4.36Å; I364-I368 WeakPolarHBondContact O-CA 3.44Å; I364-I368 VanDerWaalsContact O-CB 3.28Å; I364-I368 WeakPolarHBondContact O-CB 3.44Å; I364-I368 PolarHBondContact O-N 3.44Å; I364-I369 PolarHBondContact O-N 3.49Å |
| 365 | G | 88.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -60.2 | -44.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S335 S361 T362 I369 K370 | S335-G365 WeakPolarHBondContact OG-CA 3.2Å; S361-G365 PolarHBondContact O-N 2.99Å; T362-G365 PolarHBondContact O-N 3Å; G365-I369 WeakPolarHBondContact O-CB 3.46Å; G365-I369 PolarHBondContact O-N 3.23Å; G365-K370 WeakPolarHBondContact O-CB 3.35Å; G365-K370 PolarHBondContact O-N 3.28Å |
| 366 | K | 88.2 | Confident | 89.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -85.6 | -51.8 | -178.9 | -70.5 | -174.6 | -174 | -87.8 | 0 | 113.6 | A266 E269 A334 F341 T362 I364 I368 K370 T371 | A266-K366 HydrophobicContact CB-CB 4.3Å; A266-K366 HydrophobicContact CB-CD 4.1Å; E269-K366 VanDerWaalsContact CD-CE 3.48Å; E269-K366 IonicContact OE1-NZ 3.87Å; E269-K366 PolarHBondContact OE1-NZ 2.87Å; E269-K366 WeakPolarHBondContact OE2-CE 3.37Å; E269-K366 IonicContact OE2-NZ 3.78Å; E269-K366 PolarHBondContact OE2-NZ 2.84Å; A334-K366 WeakPolarHBondContact O-CG 3.44Å; F341-K366 HydrophobicContact CD2-CD 4.33Å; F341-K366 HydrophobicContact CE2-CD 4.09Å; T362-K366 WeakPolarHBondContact O-CB 3.4Å; T362-K366 PolarHBondContact O-N 2.98Å; I364-K366 PolarHBondContact O-N 2.78Å; K366-I368 VanDerWaalsContact C-N 3.34Å; K366-I368 PolarHBondContact O-N 3.4Å; K366-K370 HydrophobicContact CG-CD 4.41Å; K366-T371 WeakPolarHBondContact O-CG2 3.43Å; K366-T371 PolarHBondContact O-N 3.44Å |
| 367 | A | 91.2 | Very high | 89.6 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 3% | 0.025 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -74.7 | -24.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I259 A263 L363 T371 | I259-A367 HydrophobicContact CG2-CB 4.24Å; A263-A367 HydrophobicContact CB-CB 4.15Å; L363-A367 HydrophobicContact CD1-CB 4.04Å; L363-A367 HydrophobicContact CG-CB 4.47Å; L363-A367 WeakPolarHBondContact O-CA 3.24Å; L363-A367 WeakPolarHBondContact O-CB 3.29Å; L363-A367 PolarHBondContact O-N 3.48Å; A367-T371 VanDerWaalsContact C-OG1 3.24Å; A367-T371 PolarHBondContact O-OG1 2.91Å |
| 368 | I | 91.3 | Very high | 89.5 | Confident | 81 Ų | 81 | 35.9 Ų | 35.9 | 42% | 0.415 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -110.9 | -65.7 | 180 | -52.1 | 178.8 | 0 | 0 | 0 | 110.1 | I364 K366 T371 H372 | I364-I368 HydrophobicContact CG1-CD1 4.48Å; I364-I368 HydrophobicContact CG2-CD1 4.36Å; I364-I368 WeakPolarHBondContact O-CA 3.44Å; I364-I368 VanDerWaalsContact O-CB 3.28Å; I364-I368 WeakPolarHBondContact O-CB 3.44Å; I364-I368 PolarHBondContact O-N 3.44Å; K366-I368 VanDerWaalsContact C-N 3.34Å; K366-I368 PolarHBondContact O-N 3.4Å; I368-T371 PolarHBondContact O-OG1 3.46Å; I368-T371 VanDerWaalsContact O-OG1 3.12Å; I368-H372 VanDerWaalsContact O-CB 3.22Å; I368-H372 WeakPolarHBondContact O-CB 3.49Å; I368-H372 PolarHBondContact O-N 2.74Å; I368-H372 PolarHBondContact O-ND1 2.9Å |
| 369 | I | 89.3 | Confident | 89.3 | Confident | 59 Ų | 59 | 35.9 Ų | 35.9 | 30% | 0.303 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -66.3 | -59.3 | -169 | -59.2 | 176.8 | 0 | 0 | 0 | 111.4 | L331 I364 G365 T371 H372 I373 | L331-I369 HydrophobicContact CD1-CD1 3.84Å; L331-I369 HydrophobicContact CD2-CD1 4.21Å; L331-I369 HydrophobicContact CG-CD1 4.05Å; I364-I369 PolarHBondContact O-N 3.49Å; G365-I369 WeakPolarHBondContact O-CB 3.46Å; G365-I369 PolarHBondContact O-N 3.23Å; I369-T371 PolarHBondContact O-N 2.63Å; I369-H372 PolarHBondContact O-N 3.13Å; I369-I373 HydrophobicContact CG2-CD1 3.8Å; I369-I373 WeakPolarHBondContact O-CG1 3.13Å; I369-I373 PolarHBondContact O-N 2.97Å |
| 370 | K | 88.2 | Confident | 89 | Confident | 22 Ų | 22 | 35.4 Ų | 35.4 | 10% | 0.096 | 18% | 0.177 | C | C | . | . | I | π-helix | trans | -58.1 | -48.4 | -178 | -178 | -177.8 | 175.8 | -178.2 | 0 | 111.8 | N338 G365 K366 H372 I373 Q374 | N338-K370 PolarHBondContact OD1-NZ 3.21Å; G365-K370 WeakPolarHBondContact O-CB 3.35Å; G365-K370 PolarHBondContact O-N 3.28Å; K366-K370 HydrophobicContact CG-CD 4.41Å; K370-H372 VanDerWaalsContact C-N 3.32Å; K370-H372 PolarHBondContact O-N 3.43Å; K370-I373 PolarHBondContact O-N 3.03Å; K370-Q374 HydrophobicContact CG-CG 4.48Å; K370-Q374 WeakPolarHBondContact O-CB 3.27Å; K370-Q374 WeakPolarHBondContact O-CG 3.08Å; K370-Q374 PolarHBondContact O-N 2.9Å |
| 371 | T | 88.1 | Confident | 88.3 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.8 | -36.2 | 179.9 | 58.3 | 0 | 0 | 0 | 0 | 112.5 | S258 K366 A367 I368 I369 K375 | S258-T371 WeakPolarHBondContact O-CG2 3.21Å; K366-T371 WeakPolarHBondContact O-CG2 3.43Å; K366-T371 PolarHBondContact O-N 3.44Å; A367-T371 VanDerWaalsContact C-OG1 3.24Å; A367-T371 PolarHBondContact O-OG1 2.91Å; I368-T371 PolarHBondContact O-OG1 3.46Å; I368-T371 VanDerWaalsContact O-OG1 3.12Å; I369-T371 PolarHBondContact O-N 2.63Å; T371-K375 WeakPolarHBondContact O-CB 2.87Å; T371-K375 VanDerWaalsContact O-CG 3.29Å; T371-K375 WeakPolarHBondContact O-CG 3.46Å; T371-K375 PolarHBondContact O-N 3.21Å |
| 372 | H | 90.7 | Very high | 87.6 | Confident | 55 Ų | 55 | 37.9 Ų | 37.9 | 26% | 0.255 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -71 | -38.3 | 179.1 | -75.4 | 61.7 | 0 | 0 | 0 | 112.1 | M251 I368 I369 K370 K375 F376 | M251-H372 HydrophobicContact CE-CB 4.49Å; I368-H372 VanDerWaalsContact O-CB 3.22Å; I368-H372 WeakPolarHBondContact O-CB 3.49Å; I368-H372 PolarHBondContact O-N 2.74Å; I368-H372 PolarHBondContact O-ND1 2.9Å; I369-H372 PolarHBondContact O-N 3.13Å; K370-H372 VanDerWaalsContact C-N 3.32Å; K370-H372 PolarHBondContact O-N 3.43Å; H372-K375 WeakPolarHBondContact CD2-CE 3.34Å; H372-K375 PolarHBondContact CD2-NZ 3.03Å; H372-K375 PolarHBondContact CE1-NZ 3.43Å; H372-K375 PolarHBondContact NE2-NZ 3.09Å; H372-K375 WeakPolarHBondContact O-CG 3.25Å; H372-F376 VanDerWaalsContact O-CB 3.23Å; H372-F376 WeakPolarHBondContact O-CB 3.22Å; H372-F376 PolarHBondContact O-N 2.98Å |
| 373 | I | 88.6 | Confident | 86.9 | Confident | 86 Ų | 86 | 37.9 Ų | 37.9 | 44% | 0.441 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64 | -50.3 | 173.1 | -65.3 | 168.4 | 0 | 0 | 0 | 109.8 | I369 K370 K375 F376 F377 | I369-I373 HydrophobicContact CG2-CD1 3.8Å; I369-I373 WeakPolarHBondContact O-CG1 3.13Å; I369-I373 PolarHBondContact O-N 2.97Å; K370-I373 PolarHBondContact O-N 3.03Å; I373-K375 PolarHBondContact O-N 3.42Å; I373-F376 PolarHBondContact O-N 3.47Å; I373-F377 HydrophobicContact CG2-CD2 3.78Å; I373-F377 HydrophobicContact CG2-CE2 3.59Å; I373-F377 WeakPolarHBondContact O-CD2 3.37Å; I373-F377 PolarHBondContact O-N 2.9Å; I373-F377 VanDerWaalsContact O-N 3.09Å |
| 374 | Q | 87.8 | Confident | 85.7 | Confident | 32 Ų | 32 | 40.6 Ų | 40.6 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.8 | -48.4 | -179.7 | -75 | -178.1 | -41.5 | 0 | 0 | 112.6 | F157 K370 F376 F377 V378 | F157-Q374 HydrophobicContact CE1-CB 4.4Å; F157-Q374 HydrophobicContact CE2-CB 3.78Å; F157-Q374 HydrophobicContact CE2-CG 4.45Å; F157-Q374 HydrophobicContact CZ-CB 3.72Å; F157-Q374 HydrophobicContact CZ-CG 4.44Å; K370-Q374 HydrophobicContact CG-CG 4.48Å; K370-Q374 WeakPolarHBondContact O-CB 3.27Å; K370-Q374 WeakPolarHBondContact O-CG 3.08Å; K370-Q374 PolarHBondContact O-N 2.9Å; Q374-F376 VanDerWaalsContact C-N 3.33Å; Q374-F376 PolarHBondContact O-N 3.19Å; Q374-F377 PolarHBondContact O-N 3.34Å; Q374-V378 WeakPolarHBondContact O-CG2 3.39Å; Q374-V378 PolarHBondContact O-N 3.4Å; Q374-V378 VanDerWaalsContact O-N 3.1Å |
| 375 | K | 89.4 | Confident | 84.5 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.6 | -36.1 | 178.9 | 76.7 | -170 | -176.9 | 178.3 | 0 | 112.4 | I165 M251 V254 T371 H372 I373 V378 I379 | I165-K375 HydrophobicContact CD1-CB 3.69Å; M251-K375 HydrophobicContact CE-CD 4.33Å; M251-K375 HydrophobicContact CE-CG 4.11Å; M251-K375 HydrophobicContact CG-CD 4.47Å; M251-K375 HydrophobicContact CG-CG 4.27Å; M251-K375 PolarHBondContact O-NZ 2.97Å; M251-K375 VanDerWaalsContact O-NZ 3.09Å; V254-K375 HydrophobicContact CG2-CD 4.38Å; T371-K375 WeakPolarHBondContact O-CB 2.87Å; T371-K375 VanDerWaalsContact O-CG 3.29Å; T371-K375 WeakPolarHBondContact O-CG 3.46Å; T371-K375 PolarHBondContact O-N 3.21Å; H372-K375 WeakPolarHBondContact CD2-CE 3.34Å; H372-K375 PolarHBondContact CD2-NZ 3.03Å; H372-K375 PolarHBondContact CE1-NZ 3.43Å; H372-K375 PolarHBondContact NE2-NZ 3.09Å; H372-K375 WeakPolarHBondContact O-CG 3.25Å; I373-K375 PolarHBondContact O-N 3.42Å; K375-V378 PolarHBondContact O-N 2.67Å; K375-I379 WeakPolarHBondContact O-CB 3.47Å; K375-I379 WeakPolarHBondContact O-CD1 3.11Å; K375-I379 WeakPolarHBondContact O-CG1 3.32Å; K375-I379 PolarHBondContact O-N 2.99Å |
| 376 | F | 89.8 | Confident | 83.5 | Confident | 90 Ų | 90 | 47.3 Ų | 47.3 | 40% | 0.395 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.2 | -48.9 | 175.7 | 173.9 | -98.1 | 0 | 0 | 0 | 111 | I247 M251 H372 I373 Q374 V378 I379 V380 | I247-F376 HydrophobicContact CG2-CD2 4Å; I247-F376 HydrophobicContact CG2-CE2 4.19Å; M251-F376 HydrophobicContact CE-CB 4.26Å; M251-F376 HydrophobicContact SD-CB 4.37Å; M251-F376 HydrophobicContact SD-CD2 4.11Å; H372-F376 VanDerWaalsContact O-CB 3.23Å; H372-F376 WeakPolarHBondContact O-CB 3.22Å; H372-F376 PolarHBondContact O-N 2.98Å; I373-F376 PolarHBondContact O-N 3.47Å; Q374-F376 VanDerWaalsContact C-N 3.33Å; Q374-F376 PolarHBondContact O-N 3.19Å; F376-V378 VanDerWaalsContact C-N 3.33Å; F376-V378 PolarHBondContact O-N 2.66Å; F376-I379 PolarHBondContact O-N 3.12Å; F376-V380 HydrophobicContact CD1-CG2 4.33Å; F376-V380 HydrophobicContact CD2-CG2 4.17Å; F376-V380 HydrophobicContact CE1-CG2 3.96Å; F376-V380 HydrophobicContact CE2-CG2 3.79Å; F376-V380 HydrophobicContact CG-CG2 4.44Å; F376-V380 HydrophobicContact CZ-CG2 3.68Å; F376-V380 WeakPolarHBondContact O-CB 3.32Å; F376-V380 VanDerWaalsContact O-CG2 3.29Å; F376-V380 WeakPolarHBondContact O-CG2 3.35Å; F376-V380 PolarHBondContact O-N 3.43Å |
| 377 | F | 86.7 | Confident | 82.6 | Confident | 138 Ų | 138 | 48 Ų | 48 | 61% | 0.605 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -60.2 | -41.5 | 177.3 | -81.9 | -67.1 | 0 | 0 | 0 | 112.5 | I373 Q374 A381 | I373-F377 HydrophobicContact CG2-CD2 3.78Å; I373-F377 HydrophobicContact CG2-CE2 3.59Å; I373-F377 WeakPolarHBondContact O-CD2 3.37Å; I373-F377 PolarHBondContact O-N 2.9Å; I373-F377 VanDerWaalsContact O-N 3.09Å; Q374-F377 PolarHBondContact O-N 3.34Å; F377-A381 VanDerWaalsContact O-CB 3.3Å; F377-A381 WeakPolarHBondContact O-CB 3.48Å; F377-A381 PolarHBondContact O-N 3.05Å |
| 378 | V | 85.7 | Confident | 81.6 | Confident | 18 Ų | 18 | 51.1 Ų | 51.1 | 11% | 0.109 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.6 | -48.7 | 176.5 | 178 | 0 | 0 | 0 | 0 | 111.2 | F157 I165 A166 Q374 K375 F376 V380 A381 F382 | F157-V378 HydrophobicContact CE1-CG2 3.87Å; F157-V378 HydrophobicContact CZ-CG2 3.65Å; I165-V378 HydrophobicContact CB-CB 4.49Å; I165-V378 HydrophobicContact CB-CG1 3.91Å; I165-V378 HydrophobicContact CG2-CB 3.95Å; I165-V378 HydrophobicContact CG2-CG1 3.61Å; A166-V378 HydrophobicContact CB-CG1 4.44Å; Q374-V378 WeakPolarHBondContact O-CG2 3.39Å; Q374-V378 PolarHBondContact O-N 3.4Å; Q374-V378 VanDerWaalsContact O-N 3.1Å; K375-V378 PolarHBondContact O-N 2.67Å; F376-V378 VanDerWaalsContact C-N 3.33Å; F376-V378 PolarHBondContact O-N 2.66Å; V378-V380 VanDerWaalsContact C-N 3.32Å; V378-V380 PolarHBondContact O-N 3.22Å; V378-A381 PolarHBondContact O-N 3.04Å; V378-A381 VanDerWaalsContact O-N 3.17Å; V378-F382 HydrophobicContact CG1-CD2 3.88Å; V378-F382 HydrophobicContact CG1-CE2 4.14Å; V378-F382 WeakPolarHBondContact O-CD2 3.35Å; V378-F382 PolarHBondContact O-N 3.42Å |
| 379 | I | 86.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -41.1 | -179 | -65.9 | 162.7 | 0 | 0 | 0 | 111.1 | I165 T169 I247 I250 M251 K375 F376 F382 S383 | I165-I379 HydrophobicContact CG2-CD1 4.27Å; I165-I379 HydrophobicContact CG2-CG1 3.62Å; T169-I379 HydrophobicContact CG2-CG2 4.18Å; I247-I379 HydrophobicContact CB-CG2 4.36Å; I247-I379 HydrophobicContact CG1-CG2 4.24Å; I247-I379 HydrophobicContact CG2-CG2 3.97Å; I250-I379 HydrophobicContact CB-CD1 4.24Å; I250-I379 HydrophobicContact CB-CG2 4.29Å; I250-I379 HydrophobicContact CD1-CG2 4.11Å; I250-I379 HydrophobicContact CG2-CD1 3.73Å; I250-I379 HydrophobicContact CG2-CG1 3.84Å; I250-I379 HydrophobicContact CG2-CG2 4.13Å; M251-I379 HydrophobicContact CB-CD1 4.17Å; M251-I379 HydrophobicContact CG-CD1 3.33Å; K375-I379 WeakPolarHBondContact O-CB 3.47Å; K375-I379 WeakPolarHBondContact O-CD1 3.11Å; K375-I379 WeakPolarHBondContact O-CG1 3.32Å; K375-I379 PolarHBondContact O-N 2.99Å; F376-I379 PolarHBondContact O-N 3.12Å; I379-F382 PolarHBondContact O-N 2.82Å; I379-S383 WeakPolarHBondContact O-CB 3.11Å; I379-S383 PolarHBondContact O-N 3.3Å |
| 380 | V | 83.2 | Confident | 79.6 | Confident | 19 Ų | 19 | 53.9 Ų | 53.9 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65 | -41.4 | 176.5 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | I247 F376 V378 F382 S383 H386 V390 | I247-V380 HydrophobicContact CD1-CG2 3.98Å; F376-V380 HydrophobicContact CD1-CG2 4.33Å; F376-V380 HydrophobicContact CD2-CG2 4.17Å; F376-V380 HydrophobicContact CE1-CG2 3.96Å; F376-V380 HydrophobicContact CE2-CG2 3.79Å; F376-V380 HydrophobicContact CG-CG2 4.44Å; F376-V380 HydrophobicContact CZ-CG2 3.68Å; F376-V380 WeakPolarHBondContact O-CB 3.32Å; F376-V380 VanDerWaalsContact O-CG2 3.29Å; F376-V380 WeakPolarHBondContact O-CG2 3.35Å; F376-V380 PolarHBondContact O-N 3.43Å; V378-V380 VanDerWaalsContact C-N 3.32Å; V378-V380 PolarHBondContact O-N 3.22Å; V380-F382 VanDerWaalsContact C-N 3.3Å; V380-F382 PolarHBondContact O-N 2.7Å; V380-S383 PolarHBondContact O-N 3.37Å; V380-H386 HydrophobicContact CG1-CB 4.44Å; V380-V390 HydrophobicContact CG1-CG2 3.8Å |
| 381 | A | 76.9 | Confident | 78.9 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.2 | -33.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F377 V378 | F377-A381 VanDerWaalsContact O-CB 3.3Å; F377-A381 WeakPolarHBondContact O-CB 3.48Å; F377-A381 PolarHBondContact O-N 3.05Å; V378-A381 PolarHBondContact O-N 3.04Å; V378-A381 VanDerWaalsContact O-N 3.17Å |
| 382 | F | 75.2 | Confident | 78.2 | Confident | 43 Ų | 43 | 56.7 Ų | 56.7 | 19% | 0.189 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -95.7 | -3.4 | 179.7 | -76.2 | -83.6 | 0 | 0 | 0 | 114.3 | A166 T169 L170 V378 I379 V380 L412 | A166-F382 HydrophobicContact CB-CD1 4.1Å; A166-F382 HydrophobicContact CB-CD2 3.68Å; A166-F382 HydrophobicContact CB-CE1 3.94Å; A166-F382 HydrophobicContact CB-CE2 3.53Å; A166-F382 HydrophobicContact CB-CG 3.98Å; A166-F382 HydrophobicContact CB-CZ 3.66Å; T169-F382 HydrophobicContact CG2-CB 3.85Å; L170-F382 HydrophobicContact CD1-CD1 3.97Å; L170-F382 HydrophobicContact CD1-CE1 4.4Å; L170-F382 HydrophobicContact CG-CD1 4.38Å; V378-F382 HydrophobicContact CG1-CD2 3.88Å; V378-F382 HydrophobicContact CG1-CE2 4.14Å; V378-F382 WeakPolarHBondContact O-CD2 3.35Å; V378-F382 PolarHBondContact O-N 3.42Å; I379-F382 PolarHBondContact O-N 2.82Å; V380-F382 VanDerWaalsContact C-N 3.3Å; V380-F382 PolarHBondContact O-N 2.7Å; F382-L412 HydrophobicContact CE1-CD2 4.46Å; F382-L412 HydrophobicContact CZ-CD2 4.26Å |
| 383 | S | 74.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -89.3 | 111 | 176 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | F173 I379 V380 Q385 H386 F387 | F173-S383 VanDerWaalsContact CE2-CB 3.46Å; F173-S383 WeakPolarHBondContact CE2-OG 3.47Å; F173-S383 WeakPolarHBondContact CZ-OG 3.18Å; I379-S383 WeakPolarHBondContact O-CB 3.11Å; I379-S383 PolarHBondContact O-N 3.3Å; V380-S383 PolarHBondContact O-N 3.37Å; S383-Q385 VanDerWaalsContact C-N 3.32Å; S383-Q385 PolarHBondContact O-N 3.15Å; S383-H386 PolarHBondContact O-N 3.06Å; S383-H386 VanDerWaalsContact O-N 3.15Å; S383-H386 PolarHBondContact OG-CD2 3.44Å; S383-H386 VanDerWaalsContact OG-CD2 3.3Å; S383-F387 WeakPolarHBondContact O-CB 3.33Å; S383-F387 PolarHBondContact O-N 3.36Å | ||
| 384 | E | 67.8 | Low | 76.6 | Confident | 114 Ų | 114 | 60.4 Ų | 60.4 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -54.8 | -44.1 | -176.6 | -61.3 | -170.3 | 152.9 | 0 | 0 | 113.4 | H386 F387 E388 K416 | E384-H386 VanDerWaalsContact C-N 3.31Å; E384-H386 PolarHBondContact O-N 3.19Å; E384-F387 PolarHBondContact O-N 3Å; E384-E388 WeakPolarHBondContact O-CG 3.42Å; E384-E388 PolarHBondContact O-N 2.82Å; E384-K416 IonicContact OE1-NZ 2.67Å; E384-K416 PolarHBondContact OE1-NZ 3.1Å |
| 385 | Q | 67 | Low | 75.7 | Confident | 141 Ų | 141 | 64.2 Ų | 64.2 | 66% | 0.659 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -69.7 | -28.4 | -176.5 | -64.5 | -176.8 | -10.4 | 0 | 0 | 113.2 | S383 | S383-Q385 VanDerWaalsContact C-N 3.32Å; S383-Q385 PolarHBondContact O-N 3.15Å |
| 386 | H | 68 | Low | 75.1 | Confident | 62 Ų | 62 | 68 Ų | 68 | 29% | 0.287 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -92 | -32.6 | 178.2 | -70.3 | -74.2 | 0 | 0 | 0 | 111.6 | V380 S383 E384 E388 K389 V390 | V380-H386 HydrophobicContact CG1-CB 4.44Å; S383-H386 PolarHBondContact O-N 3.06Å; S383-H386 VanDerWaalsContact O-N 3.15Å; S383-H386 PolarHBondContact OG-CD2 3.44Å; S383-H386 VanDerWaalsContact OG-CD2 3.3Å; E384-H386 VanDerWaalsContact C-N 3.31Å; E384-H386 PolarHBondContact O-N 3.19Å; H386-E388 PolarHBondContact O-N 3.15Å; H386-K389 WeakPolarHBondContact O-CB 3.5Å; H386-K389 PolarHBondContact O-N 3.28Å; H386-K389 VanDerWaalsContact O-N 3.15Å; H386-V390 WeakPolarHBondContact O-CG2 3.3Å; H386-V390 PolarHBondContact O-N 3.3Å |
| 387 | F | 69.2 | Low | 74.4 | Confident | 14 Ų | 14 | 66 Ų | 66 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 175.4 | 179.8 | -110.7 | 0 | 0 | 0 | 111.6 | S383 E384 K389 V390 L391 F408 R409 L412 | S383-F387 WeakPolarHBondContact O-CB 3.33Å; S383-F387 PolarHBondContact O-N 3.36Å; E384-F387 PolarHBondContact O-N 3Å; F387-K389 VanDerWaalsContact C-N 3.28Å; F387-K389 PolarHBondContact O-N 2.91Å; F387-V390 CarbonylContact O-C 3.58Å; F387-V390 PolarHBondContact O-N 2.94Å; F387-V390 VanDerWaalsContact O-N 3.16Å; F387-L391 HydrophobicContact CD1-CD1 3.82Å; F387-L391 HydrophobicContact CD1-CG 4.18Å; F387-L391 HydrophobicContact CD2-CG 4.34Å; F387-L391 HydrophobicContact CE1-CD1 3.19Å; F387-L391 HydrophobicContact CE1-CD2 4.4Å; F387-L391 HydrophobicContact CE1-CG 3.78Å; F387-L391 HydrophobicContact CE2-CD1 4.2Å; F387-L391 HydrophobicContact CE2-CD2 3.95Å; F387-L391 HydrophobicContact CE2-CG 3.89Å; F387-L391 HydrophobicContact CG-CG 4.46Å; F387-L391 HydrophobicContact CZ-CD1 3.41Å; F387-L391 VanDerWaalsContact CZ-CD1 3.41Å; F387-L391 HydrophobicContact CZ-CD2 3.76Å; F387-L391 HydrophobicContact CZ-CG 3.62Å; F387-L391 WeakPolarHBondContact O-CB 3.42Å; F387-L391 WeakPolarHBondContact O-CG 3.22Å; F387-L391 PolarHBondContact O-N 3.46Å; F387-F408 HydrophobicContact CD2-CE1 4.37Å; F387-F408 AromaticContact CE2-CD1 3.57Å; F387-F408 HydrophobicContact CE2-CD1 3.57Å; F387-F408 AromaticContact CE2-CE1 3.55Å; F387-F408 HydrophobicContact CE2-CE1 3.55Å; F387-F408 HydrophobicContact CZ-CD1 4.05Å; F387-F408 HydrophobicContact CZ-CE1 4.45Å; F387-R409 HydrophobicContact CE1-CB 4.4Å; F387-R409 HydrophobicContact CE1-CG 4.45Å; F387-R409 HydrophobicContact CZ-CB 4.31Å; F387-L412 HydrophobicContact CD2-CD1 3.79Å; F387-L412 HydrophobicContact CE2-CD1 3.18Å; F387-L412 HydrophobicContact CZ-CD1 3.67Å |
| 388 | E | 70.2 | Confident | 73 | Confident | 69 Ų | 69 | 64.6 Ų | 64.6 | 32% | 0.322 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.6 | -36.6 | 176.1 | -66.2 | -60.1 | 157.4 | 0 | 0 | 112.5 | E384 H386 L391 N392 R409 | E384-E388 WeakPolarHBondContact O-CG 3.42Å; E384-E388 PolarHBondContact O-N 2.82Å; H386-E388 PolarHBondContact O-N 3.15Å; E388-L391 PolarHBondContact O-N 2.91Å; E388-N392 VanDerWaalsContact O-CB 3.31Å; E388-N392 WeakPolarHBondContact O-CB 3.3Å; E388-N392 PolarHBondContact O-N 2.93Å; E388-N392 PolarHBondContact O-ND2 2.86Å; E388-N392 VanDerWaalsContact O-ND2 3.12Å; E388-R409 IonicContact OE1-CZ 2.79Å; E388-R409 IonicContact OE1-NH1 3.06Å; E388-R409 PolarHBondContact OE1-NH1 2.9Å; E388-R409 IonicContact OE1-NH2 2.73Å; E388-R409 PolarHBondContact OE1-NH2 3.45Å; E388-R409 IonicContact OE2-CZ 3.27Å; E388-R409 IonicContact OE2-NH2 2.7Å; E388-R409 PolarHBondContact OE2-NH2 2.89Å |
| 389 | K | 69.6 | Low | 72.1 | Confident | 141 Ų | 141 | 73 Ų | 73 | 61% | 0.613 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.8 | -42 | 174.8 | -70.4 | 178.1 | -176.5 | 173.1 | 0 | 111.5 | H386 F387 N392 W393 | H386-K389 WeakPolarHBondContact O-CB 3.5Å; H386-K389 PolarHBondContact O-N 3.28Å; H386-K389 VanDerWaalsContact O-N 3.15Å; F387-K389 VanDerWaalsContact C-N 3.28Å; F387-K389 PolarHBondContact O-N 2.91Å; K389-N392 PolarHBondContact O-N 3.35Å; K389-W393 WeakPolarHBondContact O-CB 3.47Å; K389-W393 PolarHBondContact O-N 2.95Å |
| 390 | V | 69.2 | Low | 71.5 | Confident | 57 Ų | 57 | 77.4 Ų | 77.4 | 35% | 0.345 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65 | -41.8 | 175.5 | 172 | 0 | 0 | 0 | 0 | 110.6 | V380 H386 F387 W393 L394 | V380-V390 HydrophobicContact CG1-CG2 3.8Å; H386-V390 WeakPolarHBondContact O-CG2 3.3Å; H386-V390 PolarHBondContact O-N 3.3Å; F387-V390 CarbonylContact O-C 3.58Å; F387-V390 PolarHBondContact O-N 2.94Å; F387-V390 VanDerWaalsContact O-N 3.16Å; V390-W393 CarbonylContact O-C 3.55Å; V390-W393 PolarHBondContact O-N 2.96Å; V390-L394 VanDerWaalsContact O-CB 3.3Å; V390-L394 WeakPolarHBondContact O-CB 3.41Å; V390-L394 PolarHBondContact O-N 3.31Å |
| 391 | L | 71.9 | Confident | 70.7 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 174.5 | -75 | -171.7 | 0 | 0 | 0 | 111.8 | F387 E388 W393 L394 R395 E405 F408 | F387-L391 HydrophobicContact CD1-CD1 3.82Å; F387-L391 HydrophobicContact CD1-CG 4.18Å; F387-L391 HydrophobicContact CD2-CG 4.34Å; F387-L391 HydrophobicContact CE1-CD1 3.19Å; F387-L391 HydrophobicContact CE1-CD2 4.4Å; F387-L391 HydrophobicContact CE1-CG 3.78Å; F387-L391 HydrophobicContact CE2-CD1 4.2Å; F387-L391 HydrophobicContact CE2-CD2 3.95Å; F387-L391 HydrophobicContact CE2-CG 3.89Å; F387-L391 HydrophobicContact CG-CG 4.46Å; F387-L391 HydrophobicContact CZ-CD1 3.41Å; F387-L391 VanDerWaalsContact CZ-CD1 3.41Å; F387-L391 HydrophobicContact CZ-CD2 3.76Å; F387-L391 HydrophobicContact CZ-CG 3.62Å; F387-L391 WeakPolarHBondContact O-CB 3.42Å; F387-L391 WeakPolarHBondContact O-CG 3.22Å; F387-L391 PolarHBondContact O-N 3.46Å; E388-L391 PolarHBondContact O-N 2.91Å; L391-W393 VanDerWaalsContact C-N 3.33Å; L391-W393 PolarHBondContact O-N 2.95Å; L391-L394 HydrophobicContact CD2-CD2 4.46Å; L391-L394 CarbonylContact O-C 3.59Å; L391-L394 PolarHBondContact O-N 3.32Å; L391-R395 WeakPolarHBondContact O-CB 3.48Å; L391-R395 VanDerWaalsContact O-CG 3.27Å; L391-R395 WeakPolarHBondContact O-CG 3.47Å; L391-R395 PolarHBondContact O-N 2.62Å; L391-E405 HydrophobicContact CB-CG 4.5Å; L391-E405 HydrophobicContact CD1-CG 4.06Å; L391-E405 HydrophobicContact CD2-CG 3.96Å; L391-E405 HydrophobicContact CG-CG 4.41Å; L391-F408 HydrophobicContact CD2-CD1 4.2Å |
| 392 | N | 73.5 | Confident | 70.2 | Confident | 83 Ų | 83 | 79.3 Ų | 79.3 | 44% | 0.444 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 174.6 | -73.8 | -29 | 0 | 0 | 0 | 112.1 | E388 K389 R395 S396 | E388-N392 VanDerWaalsContact O-CB 3.31Å; E388-N392 WeakPolarHBondContact O-CB 3.3Å; E388-N392 PolarHBondContact O-N 2.93Å; E388-N392 PolarHBondContact O-ND2 2.86Å; E388-N392 VanDerWaalsContact O-ND2 3.12Å; K389-N392 PolarHBondContact O-N 3.35Å; N392-R395 WeakPolarHBondContact O-CB 3.47Å; N392-R395 PolarHBondContact O-N 3Å; N392-R395 PolarHBondContact OD1-NH1 3.3Å; N392-S396 PolarHBondContact O-N 3.48Å |
| 393 | W | 77.1 | Confident | 69.9 | Low | 179 Ų | 179 | 87.1 Ų | 87.1 | 68% | 0.678 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.9 | -39.6 | 171.3 | -176.1 | 76.8 | 0 | 0 | 0 | 111.9 | K389 V390 L391 S396 | K389-W393 WeakPolarHBondContact O-CB 3.47Å; K389-W393 PolarHBondContact O-N 2.95Å; V390-W393 CarbonylContact O-C 3.55Å; V390-W393 PolarHBondContact O-N 2.96Å; L391-W393 VanDerWaalsContact C-N 3.33Å; L391-W393 PolarHBondContact O-N 2.95Å; W393-S396 WeakPolarHBondContact O-CB 3.47Å; W393-S396 PolarHBondContact O-N 3.47Å; W393-S396 VanDerWaalsContact O-N 3.08Å; W393-S396 PolarHBondContact O-OG 3.41Å |
| 394 | L | 70 | Confident | 69.6 | Low | 39 Ų | 39 | 91.1 Ų | 91.1 | 20% | 0.204 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -66.7 | -38.5 | 176.5 | -168.1 | 65.7 | 0 | 0 | 0 | 111.3 | V390 L391 S396 V397 G401 L404 | V390-L394 VanDerWaalsContact O-CB 3.3Å; V390-L394 WeakPolarHBondContact O-CB 3.41Å; V390-L394 PolarHBondContact O-N 3.31Å; L391-L394 HydrophobicContact CD2-CD2 4.46Å; L391-L394 CarbonylContact O-C 3.59Å; L391-L394 PolarHBondContact O-N 3.32Å; L394-S396 PolarHBondContact O-N 2.77Å; L394-V397 WeakPolarHBondContact O-CB 3.19Å; L394-V397 PolarHBondContact O-N 2.91Å; L394-G401 WeakPolarHBondContact O-CA 3.42Å; L394-L404 HydrophobicContact CD2-CB 4.04Å |
| 395 | R | 68.4 | Low | 69.8 | Low | 113 Ų | 113 | 87.1 Ų | 87.1 | 43% | 0.426 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.2 | -31.6 | 170.5 | -76.9 | 173.2 | 178.7 | 168.8 | -4.6 | 112.2 | L391 N392 V397 E405 | L391-R395 WeakPolarHBondContact O-CB 3.48Å; L391-R395 VanDerWaalsContact O-CG 3.27Å; L391-R395 WeakPolarHBondContact O-CG 3.47Å; L391-R395 PolarHBondContact O-N 2.62Å; N392-R395 WeakPolarHBondContact O-CB 3.47Å; N392-R395 PolarHBondContact O-N 3Å; N392-R395 PolarHBondContact OD1-NH1 3.3Å; R395-V397 PolarHBondContact O-N 3.28Å; R395-E405 WeakPolarHBondContact CG-OE2 3.47Å; R395-E405 IonicContact CZ-OE1 3.28Å; R395-E405 VanDerWaalsContact CZ-OE1 3.32Å; R395-E405 IonicContact CZ-OE2 2.72Å; R395-E405 IonicContact NE-OE1 2.67Å; R395-E405 PolarHBondContact NE-OE1 2.81Å; R395-E405 IonicContact NE-OE2 2.63Å; R395-E405 PolarHBondContact NE-OE2 3.37Å; R395-E405 IonicContact NH2-OE1 2.73Å; R395-E405 PolarHBondContact NH2-OE1 2.03Å; R395-E405 IonicContact NH2-OE2 3.32Å |
| 396 | S | 76.5 | Confident | 69.9 | Low | 81 Ų | 81 | 87.5 Ų | 87.5 | 57% | 0.566 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -12 | 176.4 | 83.3 | 0 | 0 | 0 | 0 | 113.7 | N392 W393 L394 P398 | N392-S396 PolarHBondContact O-N 3.48Å; W393-S396 WeakPolarHBondContact O-CB 3.47Å; W393-S396 PolarHBondContact O-N 3.47Å; W393-S396 VanDerWaalsContact O-N 3.08Å; W393-S396 PolarHBondContact O-OG 3.41Å; L394-S396 PolarHBondContact O-N 2.77Å; S396-P398 WeakPolarHBondContact O-CD 3.22Å |
| 397 | V | 75.4 | Confident | 70.1 | Confident | 48 Ų | 48 | 88 Ų | 88 | 29% | 0.291 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -80.5 | 107 | 174.9 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | L394 R395 K399 I400 G401 | L394-V397 WeakPolarHBondContact O-CB 3.19Å; L394-V397 PolarHBondContact O-N 2.91Å; R395-V397 PolarHBondContact O-N 3.28Å; V397-K399 PolarHBondContact O-N 3.37Å; V397-I400 HydrophobicContact CG1-CB 4.49Å; V397-G401 PolarHBondContact O-N 2.92Å |
| 398 | P | 57.2 | Low | 70.1 | Confident | 109 Ų | 109 | 91.4 Ų | 91.4 | 71% | 0.708 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 135 | -177.4 | 25.4 | -31.2 | 0 | 0 | 0 | 110.5 | S396 I400 | S396-P398 WeakPolarHBondContact O-CD 3.22Å; P398-I400 PolarHBondContact O-N 3.27Å |
| 399 | K | 67.7 | Low | 70.1 | Confident | 193 Ų | 193 | 90.8 Ų | 90.8 | 84% | 0.839 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | -36.4 | -178.3 | -55.8 | 176.1 | 177.3 | 175.9 | 0 | 117.7 | V397 | V397-K399 PolarHBondContact O-N 3.37Š|
| 400 | I | 71.6 | Confident | 70.2 | Confident | 93 Ų | 93 | 88.7 Ų | 88.7 | 48% | 0.477 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -34.6 | -172.5 | -61.2 | 170.3 | 0 | 0 | 0 | 111.8 | V397 P398 R403 L404 | V397-I400 HydrophobicContact CG1-CB 4.49Å; P398-I400 PolarHBondContact O-N 3.27Å; I400-R403 PolarHBondContact O-N 2.84Å; I400-R403 VanDerWaalsContact O-N 3.14Å; I400-L404 HydrophobicContact CG2-CD1 3.26Å; I400-L404 HydrophobicContact CG2-CG 3.63Å; I400-L404 PolarHBondContact O-N 3Å; I400-L404 VanDerWaalsContact O-N 3.07Å |
| 401 | G | 66.9 | Low | 70.2 | Confident | 0 Ų | 0 | 91.6 Ų | 91.6 | 0% | 0 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -51 | -59 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115 | L394 V397 R403 L404 E405 | L394-G401 WeakPolarHBondContact O-CA 3.42Å; V397-G401 PolarHBondContact O-N 2.92Å; G401-R403 PolarHBondContact O-N 3.49Å; G401-L404 PolarHBondContact O-N 2.88Å; G401-E405 WeakPolarHBondContact O-CB 3.46Å; G401-E405 PolarHBondContact O-N 3.27Å |
| 402 | P | 67.4 | Low | 69.9 | Low | 85 Ų | 85 | 92.3 Ų | 92.3 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.7 | -22.2 | -177.1 | -21.1 | 32.1 | 0 | 0 | 0 | 114.1 | ||
| 403 | R | 68.8 | Low | 69.7 | Low | 208 Ų | 208 | 91.6 Ų | 91.6 | 79% | 0.785 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -82.7 | -32.8 | 178.3 | -83.7 | -173.4 | 163.8 | 146 | -3 | 112.8 | I400 G401 P407 | I400-R403 PolarHBondContact O-N 2.84Å; I400-R403 VanDerWaalsContact O-N 3.14Å; G401-R403 PolarHBondContact O-N 3.49Å; R403-P407 WeakPolarHBondContact O-CD 3.22Å; R403-P407 WeakPolarHBondContact O-CG 3.49Å |
| 404 | L | 68.6 | Low | 69.3 | Low | 84 Ų | 84 | 87.8 Ų | 87.8 | 44% | 0.44 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -86.2 | -27.6 | 178.1 | -70.2 | -175.6 | 0 | 0 | 0 | 113 | L394 I400 G401 K406 P407 F408 | L394-L404 HydrophobicContact CD2-CB 4.04Å; I400-L404 HydrophobicContact CG2-CD1 3.26Å; I400-L404 HydrophobicContact CG2-CG 3.63Å; I400-L404 PolarHBondContact O-N 3Å; I400-L404 VanDerWaalsContact O-N 3.07Å; G401-L404 PolarHBondContact O-N 2.88Å; L404-K406 PolarHBondContact O-N 3.35Å; L404-P407 WeakPolarHBondContact O-CD 3.33Å; L404-P407 WeakPolarHBondContact O-CG 3.44Å; L404-F408 WeakPolarHBondContact O-CB 3.37Å; L404-F408 PolarHBondContact O-N 2.98Å |
| 405 | E | 70.7 | Confident | 68.8 | Low | 29 Ų | 29 | 88.9 Ų | 88.9 | 14% | 0.136 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -57.7 | -51.6 | -176.3 | -171.3 | -157.8 | 150.3 | 0 | 0 | 113.2 | L391 R395 G401 F408 R409 | L391-E405 HydrophobicContact CB-CG 4.5Å; L391-E405 HydrophobicContact CD1-CG 4.06Å; L391-E405 HydrophobicContact CD2-CG 3.96Å; L391-E405 HydrophobicContact CG-CG 4.41Å; R395-E405 WeakPolarHBondContact CG-OE2 3.47Å; R395-E405 IonicContact CZ-OE1 3.28Å; R395-E405 VanDerWaalsContact CZ-OE1 3.32Å; R395-E405 IonicContact CZ-OE2 2.72Å; R395-E405 IonicContact NE-OE1 2.67Å; R395-E405 PolarHBondContact NE-OE1 2.81Å; R395-E405 IonicContact NE-OE2 2.63Å; R395-E405 PolarHBondContact NE-OE2 3.37Å; R395-E405 IonicContact NH2-OE1 2.73Å; R395-E405 PolarHBondContact NH2-OE1 2.03Å; R395-E405 IonicContact NH2-OE2 3.32Å; G401-E405 WeakPolarHBondContact O-CB 3.46Å; G401-E405 PolarHBondContact O-N 3.27Å; E405-F408 PolarHBondContact O-N 3.02Å; E405-R409 WeakPolarHBondContact O-CB 3.23Å; E405-R409 PolarHBondContact O-N 3.26Å |
| 406 | K | 70.1 | Confident | 68.6 | Low | 150 Ų | 150 | 86 Ų | 86 | 65% | 0.652 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.6 | -57.2 | -178.7 | -67.7 | -174.9 | -180 | -178.6 | 0 | 112.9 | L404 F408 R409 D410 | L404-K406 PolarHBondContact O-N 3.35Å; K406-F408 PolarHBondContact O-N 3.27Å; K406-R409 PolarHBondContact O-N 3.31Å; K406-D410 WeakPolarHBondContact O-CB 3.16Å; K406-D410 PolarHBondContact O-N 2.91Å |
| 407 | P | 73.2 | Confident | 67.9 | Low | 71 Ų | 71 | 87.4 Ų | 87.4 | 46% | 0.461 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.8 | -33.4 | -179.5 | 25 | -34.4 | 0 | 0 | 0 | 112.2 | R403 L404 F411 | R403-P407 WeakPolarHBondContact O-CD 3.22Å; R403-P407 WeakPolarHBondContact O-CG 3.49Å; L404-P407 WeakPolarHBondContact O-CD 3.33Å; L404-P407 WeakPolarHBondContact O-CG 3.44Å; P407-F411 WeakPolarHBondContact O-CB 3.21Å; P407-F411 PolarHBondContact O-N 3Å |
| 408 | F | 67.5 | Low | 67.1 | Low | 86 Ų | 86 | 90.8 Ų | 90.8 | 38% | 0.377 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -73.2 | -41.2 | 179 | -164.9 | -119.3 | 0 | 0 | 0 | 112.4 | F387 L391 L404 E405 K406 L412 | F387-F408 HydrophobicContact CD2-CE1 4.37Å; F387-F408 AromaticContact CE2-CD1 3.57Å; F387-F408 HydrophobicContact CE2-CD1 3.57Å; F387-F408 AromaticContact CE2-CE1 3.55Å; F387-F408 HydrophobicContact CE2-CE1 3.55Å; F387-F408 HydrophobicContact CZ-CD1 4.05Å; F387-F408 HydrophobicContact CZ-CE1 4.45Å; L391-F408 HydrophobicContact CD2-CD1 4.2Å; L404-F408 WeakPolarHBondContact O-CB 3.37Å; L404-F408 PolarHBondContact O-N 2.98Å; E405-F408 PolarHBondContact O-N 3.02Å; K406-F408 PolarHBondContact O-N 3.27Å; F408-L412 HydrophobicContact CD1-CD1 3.96Å; F408-L412 HydrophobicContact CE1-CD1 3.63Å; F408-L412 HydrophobicContact CE2-CD1 4.31Å; F408-L412 HydrophobicContact CG-CD1 4.45Å; F408-L412 HydrophobicContact CZ-CD1 3.8Å; F408-L412 WeakPolarHBondContact O-CB 3.46Å; F408-L412 WeakPolarHBondContact O-CG 3.01Å; F408-L412 PolarHBondContact O-N 2.92Å |
| 409 | R | 71.3 | Confident | 67 | Low | 57 Ų | 57 | 88 Ų | 88 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 172.4 | 176.7 | 178.4 | -70 | -87.2 | 7.9 | 111.4 | F387 E388 E405 K406 L412 N413 | F387-R409 HydrophobicContact CE1-CB 4.4Å; F387-R409 HydrophobicContact CE1-CG 4.45Å; F387-R409 HydrophobicContact CZ-CB 4.31Å; E388-R409 IonicContact OE1-CZ 2.79Å; E388-R409 IonicContact OE1-NH1 3.06Å; E388-R409 PolarHBondContact OE1-NH1 2.9Å; E388-R409 IonicContact OE1-NH2 2.73Å; E388-R409 PolarHBondContact OE1-NH2 3.45Å; E388-R409 IonicContact OE2-CZ 3.27Å; E388-R409 IonicContact OE2-NH2 2.7Å; E388-R409 PolarHBondContact OE2-NH2 2.89Å; E405-R409 WeakPolarHBondContact O-CB 3.23Å; E405-R409 PolarHBondContact O-N 3.26Å; K406-R409 PolarHBondContact O-N 3.31Å; R409-L412 PolarHBondContact O-N 3.09Å; R409-N413 WeakPolarHBondContact CG-ND2 3.49Å; R409-N413 VanDerWaalsContact O-CB 3.27Å; R409-N413 WeakPolarHBondContact O-CB 3.08Å; R409-N413 VanDerWaalsContact O-CG 3.29Å; R409-N413 PolarHBondContact O-N 3.13Å; R409-N413 PolarHBondContact O-ND2 3.29Å |
| 410 | D | 71.6 | Confident | 66.4 | Low | 97 Ų | 97 | 81.8 Ų | 81.8 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.6 | -43.9 | -178.9 | -66.3 | -21.1 | 0 | 0 | 0 | 110.6 | K406 L412 N413 E414 | K406-D410 WeakPolarHBondContact O-CB 3.16Å; K406-D410 PolarHBondContact O-N 2.91Å; D410-L412 PolarHBondContact O-N 2.69Å; D410-N413 PolarHBondContact O-N 2.88Å; D410-E414 VanDerWaalsContact O-CB 3.22Å; D410-E414 WeakPolarHBondContact O-CB 3.27Å; D410-E414 PolarHBondContact O-N 2.75Å |
| 411 | F | 68.6 | Low | 65.1 | Low | 117 Ų | 117 | 85.6 Ų | 85.6 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -57.4 | -50.6 | 174.2 | 176.5 | -99.2 | 0 | 0 | 0 | 112 | P407 E414 Q415 | P407-F411 WeakPolarHBondContact O-CB 3.21Å; P407-F411 PolarHBondContact O-N 3Å; F411-E414 PolarHBondContact O-N 3.06Å; F411-Q415 HydrophobicContact CD1-CG 4.27Å; F411-Q415 HydrophobicContact CE1-CG 3.89Å; F411-Q415 HydrophobicContact CE2-CG 4.23Å; F411-Q415 HydrophobicContact CZ-CG 3.87Å; F411-Q415 VanDerWaalsContact O-CG 3.31Å; F411-Q415 WeakPolarHBondContact O-CG 3.21Å; F411-Q415 PolarHBondContact O-N 3.45Å |
| 412 | L | 66 | Low | 64.1 | Low | 16 Ų | 16 | 90.6 Ų | 90.6 | 8% | 0.084 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69.5 | -39.1 | -178.5 | -76.2 | 170.8 | 0 | 0 | 0 | 112.8 | F382 F387 F408 R409 D410 E414 Q415 K416 | F382-L412 HydrophobicContact CE1-CD2 4.46Å; F382-L412 HydrophobicContact CZ-CD2 4.26Å; F387-L412 HydrophobicContact CD2-CD1 3.79Å; F387-L412 HydrophobicContact CE2-CD1 3.18Å; F387-L412 HydrophobicContact CZ-CD1 3.67Å; F408-L412 HydrophobicContact CD1-CD1 3.96Å; F408-L412 HydrophobicContact CE1-CD1 3.63Å; F408-L412 HydrophobicContact CE2-CD1 4.31Å; F408-L412 HydrophobicContact CG-CD1 4.45Å; F408-L412 HydrophobicContact CZ-CD1 3.8Å; F408-L412 WeakPolarHBondContact O-CB 3.46Å; F408-L412 WeakPolarHBondContact O-CG 3.01Å; F408-L412 PolarHBondContact O-N 2.92Å; R409-L412 PolarHBondContact O-N 3.09Å; D410-L412 PolarHBondContact O-N 2.69Å; L412-E414 VanDerWaalsContact C-N 3.27Å; L412-E414 PolarHBondContact O-N 3.06Å; L412-Q415 PolarHBondContact O-N 3.3Å; L412-K416 VanDerWaalsContact O-CB 3.25Å; L412-K416 WeakPolarHBondContact O-CB 3.35Å; L412-K416 PolarHBondContact O-N 2.89Å |
| 413 | N | 70 | Confident | 63.1 | Low | 69 Ų | 69 | 89.1 Ų | 89.1 | 37% | 0.369 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 173 | -79.8 | -19.8 | 0 | 0 | 0 | 110.9 | R409 D410 K416 I417 | R409-N413 WeakPolarHBondContact CG-ND2 3.49Å; R409-N413 VanDerWaalsContact O-CB 3.27Å; R409-N413 WeakPolarHBondContact O-CB 3.08Å; R409-N413 VanDerWaalsContact O-CG 3.29Å; R409-N413 PolarHBondContact O-N 3.13Å; R409-N413 PolarHBondContact O-ND2 3.29Å; D410-N413 PolarHBondContact O-N 2.88Å; N413-K416 PolarHBondContact O-N 3.35Å; N413-I417 WeakPolarHBondContact O-CB 3.42Å; N413-I417 VanDerWaalsContact O-CG1 3.23Å; N413-I417 WeakPolarHBondContact O-CG1 3.31Å; N413-I417 PolarHBondContact O-N 3.35Å |
| 414 | E | 67 | Low | 61.7 | Low | 98 Ų | 98 | 83.7 Ų | 83.7 | 46% | 0.458 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 176.6 | -173.5 | 159.2 | -173.3 | 0 | 0 | 112.1 | D410 F411 L412 K416 I417 R418 | D410-E414 VanDerWaalsContact O-CB 3.22Å; D410-E414 WeakPolarHBondContact O-CB 3.27Å; D410-E414 PolarHBondContact O-N 2.75Å; F411-E414 PolarHBondContact O-N 3.06Å; L412-E414 VanDerWaalsContact C-N 3.27Å; L412-E414 PolarHBondContact O-N 3.06Å; E414-K416 VanDerWaalsContact C-N 3.34Å; E414-I417 PolarHBondContact O-N 3.09Å; E414-R418 WeakPolarHBondContact O-CB 3.38Å; E414-R418 WeakPolarHBondContact O-CG 3.36Å; E414-R418 PolarHBondContact O-N 3.22Å; E414-R418 IonicContact OE1-CZ 3.36Å; E414-R418 IonicContact OE1-NE 3.93Å; E414-R418 IonicContact OE1-NH2 3.19Å; E414-R418 PolarHBondContact OE1-NH2 3.06Å |
| 415 | Q | 61 | Low | 60.3 | Low | 63 Ų | 63 | 84.2 Ų | 84.2 | 29% | 0.294 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 171.9 | -68.2 | -51 | -55.3 | 0 | 0 | 111.7 | F411 L412 R418 L419 | F411-Q415 HydrophobicContact CD1-CG 4.27Å; F411-Q415 HydrophobicContact CE1-CG 3.89Å; F411-Q415 HydrophobicContact CE2-CG 4.23Å; F411-Q415 HydrophobicContact CZ-CG 3.87Å; F411-Q415 VanDerWaalsContact O-CG 3.31Å; F411-Q415 WeakPolarHBondContact O-CG 3.21Å; F411-Q415 PolarHBondContact O-N 3.45Å; L412-Q415 PolarHBondContact O-N 3.3Å; Q415-R418 PolarHBondContact O-N 2.83Å; Q415-L419 WeakPolarHBondContact O-CB 3.29Å; Q415-L419 PolarHBondContact O-N 3.33Å |
| 416 | K | 63.1 | Low | 58.7 | Low | 52 Ų | 52 | 89.1 Ų | 89.1 | 23% | 0.226 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62 | -49.7 | 177.2 | -174.2 | -178.4 | -179 | -158.1 | 0 | 110.8 | L170 E384 L412 N413 E414 R418 L419 H420 | L170-K416 HydrophobicContact CD1-CG 4.38Å; L170-K416 HydrophobicContact CD2-CD 4.09Å; L170-K416 HydrophobicContact CD2-CG 3.9Å; E384-K416 IonicContact OE1-NZ 2.67Å; E384-K416 PolarHBondContact OE1-NZ 3.1Å; L412-K416 VanDerWaalsContact O-CB 3.25Å; L412-K416 WeakPolarHBondContact O-CB 3.35Å; L412-K416 PolarHBondContact O-N 2.89Å; N413-K416 PolarHBondContact O-N 3.35Å; E414-K416 VanDerWaalsContact C-N 3.34Å; K416-R418 VanDerWaalsContact C-N 3.33Å; K416-R418 PolarHBondContact O-N 3.42Å; K416-L419 PolarHBondContact O-N 3.45Å; K416-H420 WeakPolarHBondContact CE-NE2 3.44Å; K416-H420 PolarHBondContact O-CD2 3.49Å; K416-H420 PolarHBondContact O-N 3.36Å |
| 417 | I | 62.9 | Low | 56.9 | Low | 110 Ų | 110 | 86.6 Ų | 86.6 | 56% | 0.564 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.7 | -42.9 | 176.9 | -68.7 | 164.7 | 0 | 0 | 0 | 110.7 | N413 E414 L419 H420 R421 | N413-I417 WeakPolarHBondContact O-CB 3.42Å; N413-I417 VanDerWaalsContact O-CG1 3.23Å; N413-I417 WeakPolarHBondContact O-CG1 3.31Å; N413-I417 PolarHBondContact O-N 3.35Å; E414-I417 PolarHBondContact O-N 3.09Å; I417-L419 VanDerWaalsContact C-N 3.32Å; I417-L419 PolarHBondContact O-N 3Å; I417-H420 PolarHBondContact O-N 3.27Å; I417-R421 VanDerWaalsContact O-CB 3.29Å; I417-R421 WeakPolarHBondContact O-CB 3.29Å; I417-R421 PolarHBondContact O-N 3.48Å |
| 418 | R | 58.5 | Low | 55 | Low | 120 Ų | 120 | 92.8 Ų | 92.8 | 45% | 0.453 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 176.2 | -74.3 | 175.5 | -171.5 | -171 | 6.8 | 112 | E414 Q415 K416 R421 S422 | E414-R418 WeakPolarHBondContact O-CB 3.38Å; E414-R418 WeakPolarHBondContact O-CG 3.36Å; E414-R418 PolarHBondContact O-N 3.22Å; E414-R418 IonicContact OE1-CZ 3.36Å; E414-R418 IonicContact OE1-NE 3.93Å; E414-R418 IonicContact OE1-NH2 3.19Å; E414-R418 PolarHBondContact OE1-NH2 3.06Å; Q415-R418 PolarHBondContact O-N 2.83Å; K416-R418 VanDerWaalsContact C-N 3.33Å; K416-R418 PolarHBondContact O-N 3.42Å; R418-R421 PolarHBondContact O-N 3.15Å; R418-S422 PolarHBondContact O-N 2.82Å |
| 419 | L | 54.2 | Low | 53.6 | Low | 50 Ų | 50 | 93.6 Ų | 93.6 | 26% | 0.262 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.7 | -39 | 178.8 | -156.1 | 73.8 | 0 | 0 | 0 | 112.5 | A166 A167 L170 Q415 K416 I417 R421 | A166-L419 HydrophobicContact CB-CD2 4.31Å; A167-L419 HydrophobicContact CB-CD2 4.08Å; L170-L419 HydrophobicContact CD1-CB 4.31Å; L170-L419 HydrophobicContact CD1-CD2 3.32Å; L170-L419 HydrophobicContact CD1-CG 4.39Å; Q415-L419 WeakPolarHBondContact O-CB 3.29Å; Q415-L419 PolarHBondContact O-N 3.33Å; K416-L419 PolarHBondContact O-N 3.45Å; I417-L419 VanDerWaalsContact C-N 3.32Å; I417-L419 PolarHBondContact O-N 3Å; L419-R421 VanDerWaalsContact C-N 3.34Å |
| 420 | H | 54.5 | Low | 52 | Low | 62 Ų | 62 | 98.9 Ų | 98.9 | 29% | 0.287 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 171.2 | -73.1 | -78.8 | 0 | 0 | 0 | 111.9 | E174 K416 I417 S423 D424 | E174-H420 IonicContact OE1-CE1 3.49Å; E174-H420 PolarHBondContact OE1-CE1 3.18Å; E174-H420 IonicContact OE1-ND1 3.54Å; E174-H420 PolarHBondContact OE1-ND1 3.03Å; E174-H420 IonicContact OE1-NE2 3.53Å; E174-H420 IonicContact OE2-CE1 2.9Å; E174-H420 IonicContact OE2-ND1 3.85Å; K416-H420 WeakPolarHBondContact CE-NE2 3.44Å; K416-H420 PolarHBondContact O-CD2 3.49Å; K416-H420 PolarHBondContact O-N 3.36Å; I417-H420 PolarHBondContact O-N 3.27Å; H420-S423 WeakPolarHBondContact O-CB 3.16Å; H420-S423 PolarHBondContact O-N 2.82Å; H420-D424 PolarHBondContact O-N 3.25Å |
| 421 | R | 44.7 | Very low | 51 | Low | 174 Ų | 174 | 95.6 Ų | 95.6 | 66% | 0.657 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -77.6 | -26.2 | -178.1 | -166.2 | 173.7 | -171.7 | 151.4 | 3.2 | 114.1 | I417 R418 L419 S423 D424 | I417-R421 VanDerWaalsContact O-CB 3.29Å; I417-R421 WeakPolarHBondContact O-CB 3.29Å; I417-R421 PolarHBondContact O-N 3.48Å; R418-R421 PolarHBondContact O-N 3.15Å; L419-R421 VanDerWaalsContact C-N 3.34Å; R421-S423 PolarHBondContact O-N 2.99Å; R421-D424 CarbonylContact O-C 3.58Å; R421-D424 PolarHBondContact O-N 3.47Å; R421-D424 VanDerWaalsContact O-O 3.08Å |
| 422 | S | 47 | Very low | 50.8 | Low | 105 Ų | 105 | 91.6 Ų | 91.6 | 73% | 0.734 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -15.3 | 169.3 | -83.6 | 0 | 0 | 0 | 0 | 112.9 | R418 | R418-S422 PolarHBondContact O-N 2.82Š|
| 423 | S | 46.8 | Very low | 51.2 | Low | 53 Ų | 53 | 97.8 Ų | 97.8 | 37% | 0.371 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -51.3 | 168.5 | -60 | 0 | 0 | 0 | 0 | 109.3 | V190 H420 R421 V425 | V190-S423 WeakPolarHBondContact CB-O 3.31Å; V190-S423 WeakPolarHBondContact CG1-O 3.44Å; V190-S423 WeakPolarHBondContact CG2-O 3.48Å; H420-S423 WeakPolarHBondContact O-CB 3.16Å; H420-S423 PolarHBondContact O-N 2.82Å; R421-S423 PolarHBondContact O-N 2.99Å; S423-V425 PolarHBondContact O-N 2.95Å |
| 424 | D | 39.2 | Very low | 51 | Low | 94 Ų | 94 | 99.2 Ų | 99.2 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -69.7 | 95 | 177.7 | -75.3 | -39.2 | 0 | 0 | 0 | 114.1 | V190 H420 R421 | V190-D424 HydrophobicContact CG1-CB 4.21Å; V190-D424 WeakPolarHBondContact CG1-OD1 3.48Å; H420-D424 PolarHBondContact O-N 3.25Å; R421-D424 CarbonylContact O-C 3.58Å; R421-D424 PolarHBondContact O-N 3.47Å; R421-D424 VanDerWaalsContact O-O 3.08Å |
| 425 | V | 37.8 | Very low | 50.9 | Low | 96 Ų | 96 | 99.6 Ų | 99.6 | 58% | 0.582 | 53% | 0.526 | S | S | * | . | trans | 88.4 | 106.2 | 163.6 | -167.8 | 0 | 0 | 0 | 0 | 115 | S423 V427 | S423-V425 PolarHBondContact O-N 2.95Å; V425-V427 HydrophobicContact CG1-CB 3.6Å; V425-V427 HydrophobicContact CG1-CG2 3.25Å; V425-V427 PolarHBondContact O-N 3.48Å | ||
| 426 | V | 37 | Very low | 51.4 | Low | 132 Ų | 132 | 103.7 Ų | 103.7 | 80% | 0.8 | 54% | 0.539 | S | S | * | . | trans | -66.2 | 69.7 | 157.4 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 427 | V | 32.6 | Very low | 52.1 | Low | 97 Ų | 97 | 105 Ų | 105 | 59% | 0.588 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -121.3 | 125.7 | 163.7 | 164.4 | 0 | 0 | 0 | 0 | 104.3 | V425 T429 | V425-V427 HydrophobicContact CG1-CB 3.6Å; V425-V427 HydrophobicContact CG1-CG2 3.25Å; V425-V427 PolarHBondContact O-N 3.48Å; V427-T429 PolarHBondContact O-N 3.38Å; V427-T429 PolarHBondContact O-OG1 2.74Å |
| 428 | H | 34.5 | Very low | 52.5 | Low | 201 Ų | 201 | 102 Ų | 102 | 93% | 0.931 | 54% | 0.536 | S | S | * | . | trans | -33.9 | 79.1 | 174.5 | -87.8 | -53.3 | 0 | 0 | 0 | 113.3 | Q430 | H428-Q430 PolarHBondContact O-N 3.47Š| ||
| 429 | T | 37.2 | Very low | 53.1 | Low | 103 Ų | 103 | 101 Ų | 101 | 63% | 0.632 | 54% | 0.536 | S | S | * | . | trans | -89.3 | 115.4 | 174 | -61.1 | 0 | 0 | 0 | 0 | 103.8 | V427 S431 | V427-T429 PolarHBondContact O-N 3.38Å; V427-T429 PolarHBondContact O-OG1 2.74Å; T429-S431 PolarHBondContact O-N 3.24Å | ||
| 430 | Q | 38.5 | Very low | 54.3 | Low | 168 Ų | 168 | 102.2 Ų | 102.2 | 79% | 0.785 | 55% | 0.546 | S | S | * | . | trans | -37.9 | 107.5 | 177.9 | -75.4 | 179.6 | -23.6 | 0 | 0 | 109.3 | H428 G432 | H428-Q430 PolarHBondContact O-N 3.47Å; Q430-G432 PolarHBondContact O-N 3.09Å | ||
| 431 | S | 50.8 | Low | 55.4 | Low | 27 Ų | 27 | 102 Ų | 102 | 19% | 0.189 | 55% | 0.549 | C | S | . | . | trans | -41.9 | 116.8 | 165 | 159.1 | 0 | 0 | 0 | 0 | 105.7 | T429 I433 Q435 R436 E439 | T429-S431 PolarHBondContact O-N 3.24Å; S431-I433 PolarHBondContact O-N 3.06Å; S431-Q435 WeakPolarHBondContact OG-CB 3.34Å; S431-Q435 WeakPolarHBondContact OG-CG 3.43Å; S431-R436 VanDerWaalsContact CB-CG 3.48Å; S431-R436 WeakPolarHBondContact OG-CG 3.44Å; S431-R436 PolarHBondContact OG-N 3.28Å; S431-E439 PolarHBondContact OG-OE2 3.09Å | ||
| 432 | G | 63.6 | Low | 56.6 | Low | 34 Ų | 34 | 94.6 Ų | 94.6 | 35% | 0.351 | 52% | 0.523 | S | S | . | . | trans | -51.9 | 146.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q430 V434 Q435 R436 | Q430-G432 PolarHBondContact O-N 3.09Å; G432-V434 CarbonylContact O-C 3.57Å; G432-V434 PolarHBondContact O-N 3.37Å; G432-Q435 WeakPolarHBondContact O-CA 3.22Å; G432-Q435 PolarHBondContact O-N 2.84Å; G432-R436 PolarHBondContact O-N 2.7Å | ||
| 433 | I | 74.7 | Confident | 58.2 | Low | 146 Ų | 146 | 96.6 Ų | 96.6 | 75% | 0.749 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -46 | -39.9 | -175.1 | -60.9 | 168 | 0 | 0 | 0 | 110.8 | S431 R436 V437 | S431-I433 PolarHBondContact O-N 3.06Å; I433-R436 PolarHBondContact O-N 3.36Å; I433-V437 HydrophobicContact CG2-CG2 4.3Å; I433-V437 WeakPolarHBondContact O-CB 3.36Å; I433-V437 WeakPolarHBondContact O-CG2 3.29Å; I433-V437 PolarHBondContact O-N 2.93Å |
| 434 | V | 65 | Low | 59.9 | Low | 98 Ų | 98 | 99.1 Ų | 99.1 | 59% | 0.594 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.8 | -49.5 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 113.2 | G432 V437 I438 | G432-V434 CarbonylContact O-C 3.57Å; G432-V434 PolarHBondContact O-N 3.37Å; V434-V437 PolarHBondContact O-N 3.43Å; V434-I438 HydrophobicContact CG1-CD1 3.83Å; V434-I438 VanDerWaalsContact O-CG1 3.27Å; V434-I438 WeakPolarHBondContact O-CG1 3.48Å; V434-I438 PolarHBondContact O-N 2.87Å |
| 435 | Q | 66 | Low | 61.4 | Low | 106 Ų | 106 | 97.4 Ų | 97.4 | 50% | 0.495 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 179 | -178.9 | 172.4 | -11.9 | 0 | 0 | 111.1 | S431 G432 V437 I438 E439 | S431-Q435 WeakPolarHBondContact OG-CB 3.34Å; S431-Q435 WeakPolarHBondContact OG-CG 3.43Å; G432-Q435 WeakPolarHBondContact O-CA 3.22Å; G432-Q435 PolarHBondContact O-N 2.84Å; Q435-V437 VanDerWaalsContact C-N 3.34Å; Q435-V437 PolarHBondContact O-N 2.98Å; Q435-I438 PolarHBondContact O-N 3.37Å; Q435-E439 HydrophobicContact CG-CG 4.21Å; Q435-E439 VanDerWaalsContact CG-OE1 3.3Å; Q435-E439 WeakPolarHBondContact CG-OE1 3.42Å; Q435-E439 PolarHBondContact NE2-OE1 3Å; Q435-E439 WeakPolarHBondContact O-CB 3.25Å; Q435-E439 VanDerWaalsContact O-CG 3.27Å; Q435-E439 WeakPolarHBondContact O-CG 3.19Å; Q435-E439 PolarHBondContact O-N 3.27Å |
| 436 | R | 71.4 | Confident | 63.2 | Low | 149 Ų | 149 | 96.5 Ų | 96.5 | 56% | 0.562 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.7 | -41.6 | 172.9 | -79.4 | -153.1 | 179.5 | 165.4 | 1.1 | 112.3 | S431 G432 I433 I438 T440 | S431-R436 VanDerWaalsContact CB-CG 3.48Å; S431-R436 WeakPolarHBondContact OG-CG 3.44Å; S431-R436 PolarHBondContact OG-N 3.28Å; G432-R436 PolarHBondContact O-N 2.7Å; I433-R436 PolarHBondContact O-N 3.36Å; R436-I438 VanDerWaalsContact C-N 3.34Å; R436-T440 WeakPolarHBondContact O-CB 3.23Å; R436-T440 PolarHBondContact O-N 3.44Å; R436-T440 PolarHBondContact O-OG1 3.35Å |
| 437 | V | 77.8 | Confident | 65.3 | Low | 81 Ų | 81 | 91.8 Ų | 91.8 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 176.8 | 165.8 | 0 | 0 | 0 | 0 | 110 | I433 V434 Q435 T441 | I433-V437 HydrophobicContact CG2-CG2 4.3Å; I433-V437 WeakPolarHBondContact O-CB 3.36Å; I433-V437 WeakPolarHBondContact O-CG2 3.29Å; I433-V437 PolarHBondContact O-N 2.93Å; V434-V437 PolarHBondContact O-N 3.43Å; Q435-V437 VanDerWaalsContact C-N 3.34Å; Q435-V437 PolarHBondContact O-N 2.98Å; V437-T441 VanDerWaalsContact O-CB 3.27Å; V437-T441 WeakPolarHBondContact O-CB 3.21Å; V437-T441 PolarHBondContact O-N 3.47Å; V437-T441 PolarHBondContact O-OG1 3.18Å |
| 438 | I | 70 | Confident | 67.5 | Low | 46 Ų | 46 | 89.9 Ų | 89.9 | 24% | 0.236 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -66.3 | -49.2 | 178.3 | -65 | 165 | 0 | 0 | 0 | 111 | L159 V434 Q435 R436 T440 T441 V442 | L159-I438 HydrophobicContact CD1-CG2 3.82Å; L159-I438 HydrophobicContact CD2-CG2 3.44Å; L159-I438 VanDerWaalsContact CD2-CG2 3.44Å; L159-I438 HydrophobicContact CG-CG2 4.16Å; V434-I438 HydrophobicContact CG1-CD1 3.83Å; V434-I438 VanDerWaalsContact O-CG1 3.27Å; V434-I438 WeakPolarHBondContact O-CG1 3.48Å; V434-I438 PolarHBondContact O-N 2.87Å; Q435-I438 PolarHBondContact O-N 3.37Å; R436-I438 VanDerWaalsContact C-N 3.34Å; I438-T440 VanDerWaalsContact C-N 3.32Å; I438-T440 PolarHBondContact O-N 2.91Å; I438-T441 PolarHBondContact O-N 2.78Å; I438-V442 HydrophobicContact CG2-CG2 4.22Å; I438-V442 WeakPolarHBondContact O-CB 3.1Å; I438-V442 VanDerWaalsContact O-CG2 3.27Å; I438-V442 WeakPolarHBondContact O-CG2 3.43Å; I438-V442 PolarHBondContact O-N 2.81Å |
| 439 | E | 72.1 | Confident | 69.3 | Low | 98 Ų | 98 | 82.5 Ų | 82.5 | 46% | 0.458 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.6 | -44.3 | 176.9 | -74.5 | 168.7 | 175.7 | 0 | 0 | 111.4 | S431 Q435 V442 F443 | S431-E439 PolarHBondContact OG-OE2 3.09Å; Q435-E439 HydrophobicContact CG-CG 4.21Å; Q435-E439 VanDerWaalsContact CG-OE1 3.3Å; Q435-E439 WeakPolarHBondContact CG-OE1 3.42Å; Q435-E439 PolarHBondContact NE2-OE1 3Å; Q435-E439 WeakPolarHBondContact O-CB 3.25Å; Q435-E439 VanDerWaalsContact O-CG 3.27Å; Q435-E439 WeakPolarHBondContact O-CG 3.19Å; Q435-E439 PolarHBondContact O-N 3.27Å; E439-V442 PolarHBondContact O-N 3.37Å; E439-F443 WeakPolarHBondContact O-CB 3.46Å; E439-F443 PolarHBondContact O-N 3.45Å |
| 440 | T | 79.2 | Confident | 71.4 | Confident | 76 Ų | 76 | 84.1 Ų | 84.1 | 47% | 0.466 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 176.9 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | R436 I438 F443 L444 | R436-T440 WeakPolarHBondContact O-CB 3.23Å; R436-T440 PolarHBondContact O-N 3.44Å; R436-T440 PolarHBondContact O-OG1 3.35Å; I438-T440 VanDerWaalsContact C-N 3.32Å; I438-T440 PolarHBondContact O-N 2.91Å; T440-F443 PolarHBondContact O-N 3.36Å; T440-L444 HydrophobicContact CG2-CD1 4.21Å; T440-L444 HydrophobicContact CG2-CG 4.44Å; T440-L444 WeakPolarHBondContact O-CB 3.47Å; T440-L444 VanDerWaalsContact O-CG 3.3Å; T440-L444 WeakPolarHBondContact O-CG 3.22Å; T440-L444 PolarHBondContact O-N 3.06Å |
| 441 | T | 76.6 | Confident | 73.6 | Confident | 59 Ų | 59 | 79.3 Ų | 79.3 | 36% | 0.362 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 177.1 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | V437 I438 F443 L444 M445 | V437-T441 VanDerWaalsContact O-CB 3.27Å; V437-T441 WeakPolarHBondContact O-CB 3.21Å; V437-T441 PolarHBondContact O-N 3.47Å; V437-T441 PolarHBondContact O-OG1 3.18Å; I438-T441 PolarHBondContact O-N 2.78Å; T441-F443 PolarHBondContact O-N 2.87Å; T441-L444 PolarHBondContact O-N 2.87Å; T441-M445 HydrophobicContact CG2-SD 4.11Å; T441-M445 WeakPolarHBondContact O-CB 3.3Å; T441-M445 VanDerWaalsContact O-CG 3.29Å; T441-M445 WeakPolarHBondContact O-CG 2.93Å; T441-M445 PolarHBondContact O-N 3.11Å |
| 442 | V | 70.8 | Confident | 75 | Confident | 18 Ų | 18 | 81.4 Ų | 81.4 | 11% | 0.109 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 175.4 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | F150 L159 I438 E439 M445 I446 | F150-V442 HydrophobicContact CE2-CG1 4.35Å; F150-V442 HydrophobicContact CE2-CG2 4.19Å; F150-V442 HydrophobicContact CZ-CB 4.31Å; F150-V442 HydrophobicContact CZ-CG2 3.78Å; L159-V442 HydrophobicContact CD1-CG2 3.76Å; I438-V442 HydrophobicContact CG2-CG2 4.22Å; I438-V442 WeakPolarHBondContact O-CB 3.1Å; I438-V442 VanDerWaalsContact O-CG2 3.27Å; I438-V442 WeakPolarHBondContact O-CG2 3.43Å; I438-V442 PolarHBondContact O-N 2.81Å; E439-V442 PolarHBondContact O-N 3.37Å; V442-M445 PolarHBondContact O-N 3.42Å; V442-I446 HydrophobicContact CG1-CD1 3.8Å; V442-I446 HydrophobicContact CG1-CG1 4.44Å; V442-I446 VanDerWaalsContact O-CG1 3.31Å; V442-I446 WeakPolarHBondContact O-CG1 3.25Å; V442-I446 PolarHBondContact O-N 3.36Å |
| 443 | F | 80.8 | Confident | 75.9 | Confident | 146 Ų | 146 | 84.2 Ų | 84.2 | 64% | 0.64 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.5 | -45.6 | 176.3 | -179.4 | -95.5 | 0 | 0 | 0 | 112.4 | E439 T440 T441 M445 I446 A447 | E439-F443 WeakPolarHBondContact O-CB 3.46Å; E439-F443 PolarHBondContact O-N 3.45Å; T440-F443 PolarHBondContact O-N 3.36Å; T441-F443 PolarHBondContact O-N 2.87Å; F443-M445 VanDerWaalsContact C-N 3.31Å; F443-M445 PolarHBondContact O-N 3.43Å; F443-I446 PolarHBondContact O-N 2.87Å; F443-A447 VanDerWaalsContact O-CB 3.3Å; F443-A447 WeakPolarHBondContact O-CB 3.4Å; F443-A447 PolarHBondContact O-N 3.4Å |
| 444 | L | 81.9 | Confident | 76.5 | Confident | 107 Ų | 107 | 78.8 Ų | 78.8 | 56% | 0.56 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.7 | -38.7 | 176.3 | -74 | 174.6 | 0 | 0 | 0 | 112.1 | T440 T441 A447 S448 | T440-L444 HydrophobicContact CG2-CD1 4.21Å; T440-L444 HydrophobicContact CG2-CG 4.44Å; T440-L444 WeakPolarHBondContact O-CB 3.47Å; T440-L444 VanDerWaalsContact O-CG 3.3Å; T440-L444 WeakPolarHBondContact O-CG 3.22Å; T440-L444 PolarHBondContact O-N 3.06Å; T441-L444 PolarHBondContact O-N 2.87Å; L444-A447 PolarHBondContact O-N 2.93Å; L444-S448 WeakPolarHBondContact O-CB 3.45Å; L444-S448 PolarHBondContact O-N 3.04Å; L444-S448 PolarHBondContact O-OG 3.14Å |
| 445 | M | 71.7 | Confident | 77.5 | Confident | 58 Ų | 58 | 74.9 Ų | 74.9 | 29% | 0.286 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.6 | -42.2 | 177.1 | -72.8 | -175.7 | 57.4 | 0 | 0 | 112.3 | G149 F150 T441 V442 F443 A447 S448 S449 | G149-M445 WeakPolarHBondContact O-CE 3.49Å; F150-M445 HydrophobicContact CD1-CE 3.22Å; F150-M445 HydrophobicContact CD1-SD 3.8Å; F150-M445 HydrophobicContact CD2-CE 3.96Å; F150-M445 HydrophobicContact CE1-CE 3.13Å; F150-M445 HydrophobicContact CE1-CG 4.39Å; F150-M445 HydrophobicContact CE1-SD 3.03Å; F150-M445 WeakPolarHBondContact CE1-SD 3.27Å; F150-M445 HydrophobicContact CE2-CB 3.97Å; F150-M445 HydrophobicContact CE2-CE 3.83Å; F150-M445 HydrophobicContact CE2-SD 4.1Å; F150-M445 HydrophobicContact CG-CE 3.65Å; F150-M445 HydrophobicContact CZ-CB 3.81Å; F150-M445 HydrophobicContact CZ-CE 3.42Å; F150-M445 VanDerWaalsContact CZ-CE 3.42Å; F150-M445 HydrophobicContact CZ-CG 4.01Å; F150-M445 HydrophobicContact CZ-SD 3.18Å; F150-M445 WeakPolarHBondContact CZ-SD 3.37Å; T441-M445 HydrophobicContact CG2-SD 4.11Å; T441-M445 WeakPolarHBondContact O-CB 3.3Å; T441-M445 VanDerWaalsContact O-CG 3.29Å; T441-M445 WeakPolarHBondContact O-CG 2.93Å; T441-M445 PolarHBondContact O-N 3.11Å; V442-M445 PolarHBondContact O-N 3.42Å; F443-M445 VanDerWaalsContact C-N 3.31Å; F443-M445 PolarHBondContact O-N 3.43Å; M445-A447 VanDerWaalsContact C-N 3.35Å; M445-A447 PolarHBondContact O-N 3.32Å; M445-S448 PolarHBondContact O-N 3.23Å; M445-S448 PolarHBondContact O-OG 3.43Å; M445-S449 PolarHBondContact O-N 3.06Å; M445-S449 PolarHBondContact O-OG 3.17Å; M445-S449 VanDerWaalsContact O-OG 3.07Å |
| 446 | I | 75 | Confident | 78.3 | Confident | 77 Ų | 77 | 71.2 Ų | 71.2 | 40% | 0.395 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 172.7 | -68.6 | 168.1 | 0 | 0 | 0 | 109.9 | V442 F443 S448 S449 F450 | V442-I446 HydrophobicContact CG1-CD1 3.8Å; V442-I446 HydrophobicContact CG1-CG1 4.44Å; V442-I446 VanDerWaalsContact O-CG1 3.31Å; V442-I446 WeakPolarHBondContact O-CG1 3.25Å; V442-I446 PolarHBondContact O-N 3.36Å; F443-I446 PolarHBondContact O-N 2.87Å; I446-S448 PolarHBondContact O-N 3.01Å; I446-S449 WeakPolarHBondContact O-CB 3.21Å; I446-S449 PolarHBondContact O-N 3.24Å; I446-F450 HydrophobicContact CG2-CD2 3.65Å; I446-F450 HydrophobicContact CG2-CE2 3.57Å; I446-F450 VanDerWaalsContact O-CD2 3.26Å; I446-F450 WeakPolarHBondContact O-CD2 3.21Å; I446-F450 PolarHBondContact O-N 2.77Å |
| 447 | A | 81.2 | Confident | 79.1 | Confident | 32 Ų | 32 | 65.7 Ų | 65.7 | 26% | 0.264 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61 | -42 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F443 L444 M445 F450 I451 | F443-A447 VanDerWaalsContact O-CB 3.3Å; F443-A447 WeakPolarHBondContact O-CB 3.4Å; F443-A447 PolarHBondContact O-N 3.4Å; L444-A447 PolarHBondContact O-N 2.93Å; M445-A447 VanDerWaalsContact C-N 3.35Å; M445-A447 PolarHBondContact O-N 3.32Å; A447-F450 PolarHBondContact O-N 3.17Å; A447-I451 VanDerWaalsContact O-CG1 3.24Å; A447-I451 WeakPolarHBondContact O-CG1 3.08Å; A447-I451 PolarHBondContact O-N 3.41Å |
| 448 | S | 78.2 | Confident | 79.6 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 41% | 0.406 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 175.9 | 71.6 | 0 | 0 | 0 | 0 | 111.9 | L444 M445 I446 F450 I451 S452 | L444-S448 WeakPolarHBondContact O-CB 3.45Å; L444-S448 PolarHBondContact O-N 3.04Å; L444-S448 PolarHBondContact O-OG 3.14Å; M445-S448 PolarHBondContact O-N 3.23Å; M445-S448 PolarHBondContact O-OG 3.43Å; I446-S448 PolarHBondContact O-N 3.01Å; S448-F450 PolarHBondContact O-N 2.74Å; S448-I451 PolarHBondContact O-N 2.96Å; S448-S452 WeakPolarHBondContact O-CB 3.17Å; S448-S452 PolarHBondContact O-N 2.99Å; S448-S452 PolarHBondContact O-OG 2.97Å; S448-S452 VanDerWaalsContact O-OG 3.11Å |
| 449 | S | 73.8 | Confident | 80.3 | Confident | 46 Ų | 46 | 60.9 Ų | 60.9 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 172.4 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | M445 I446 S452 L453 | M445-S449 PolarHBondContact O-N 3.06Å; M445-S449 PolarHBondContact O-OG 3.17Å; M445-S449 VanDerWaalsContact O-OG 3.07Å; I446-S449 WeakPolarHBondContact O-CB 3.21Å; I446-S449 PolarHBondContact O-N 3.24Å; S449-S452 PolarHBondContact O-N 3.23Å; S449-L453 WeakPolarHBondContact O-CB 3.49Å; S449-L453 PolarHBondContact O-N 2.88Å |
| 450 | F | 80.9 | Confident | 80.9 | Confident | 136 Ų | 136 | 61.8 Ų | 61.8 | 60% | 0.596 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.8 | -42 | 174.4 | -88.6 | -75.8 | 0 | 0 | 0 | 112 | I446 A447 S448 L453 V454 | I446-F450 HydrophobicContact CG2-CD2 3.65Å; I446-F450 HydrophobicContact CG2-CE2 3.57Å; I446-F450 VanDerWaalsContact O-CD2 3.26Å; I446-F450 WeakPolarHBondContact O-CD2 3.21Å; I446-F450 PolarHBondContact O-N 2.77Å; A447-F450 PolarHBondContact O-N 3.17Å; S448-F450 PolarHBondContact O-N 2.74Å; F450-L453 PolarHBondContact O-N 3.31Å; F450-V454 WeakPolarHBondContact O-CG2 3.36Å; F450-V454 PolarHBondContact O-N 3.31Å |
| 451 | I | 84.1 | Confident | 81.2 | Confident | 67 Ų | 67 | 59 Ų | 59 | 34% | 0.344 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 175.4 | -67.8 | 163.4 | 0 | 0 | 0 | 110.5 | M69 A447 S448 L453 V454 N455 | M69-I451 HydrophobicContact CB-CG2 4.11Å; M69-I451 HydrophobicContact CE-CB 4.14Å; M69-I451 HydrophobicContact CE-CG1 3.67Å; M69-I451 HydrophobicContact CE-CG2 4.08Å; M69-I451 HydrophobicContact SD-CG1 4.04Å; M69-I451 HydrophobicContact SD-CG2 4.35Å; A447-I451 VanDerWaalsContact O-CG1 3.24Å; A447-I451 WeakPolarHBondContact O-CG1 3.08Å; A447-I451 PolarHBondContact O-N 3.41Å; S448-I451 PolarHBondContact O-N 2.96Å; I451-L453 VanDerWaalsContact C-N 3.34Å; I451-L453 PolarHBondContact O-N 2.85Å; I451-V454 PolarHBondContact O-N 2.87Å; I451-N455 PolarHBondContact O-N 3.46Å; I451-N455 PolarHBondContact O-ND2 2.99Å |
| 452 | S | 79.8 | Confident | 81.7 | Confident | 71 Ų | 71 | 56.7 Ų | 56.7 | 50% | 0.497 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 176.5 | -66 | 0 | 0 | 0 | 0 | 112.1 | S448 S449 N455 S456 | S448-S452 WeakPolarHBondContact O-CB 3.17Å; S448-S452 PolarHBondContact O-N 2.99Å; S448-S452 PolarHBondContact O-OG 2.97Å; S448-S452 VanDerWaalsContact O-OG 3.11Å; S449-S452 PolarHBondContact O-N 3.23Å; S452-N455 PolarHBondContact O-N 2.55Å; S452-S456 PolarHBondContact O-N 3.38Å; S452-S456 PolarHBondContact O-OG 3.47Å |
| 453 | L | 83.6 | Confident | 82.2 | Confident | 93 Ų | 93 | 57.8 Ų | 57.8 | 49% | 0.487 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 174.2 | -179.9 | 65.2 | 0 | 0 | 0 | 112.2 | S449 F450 I451 N455 S456 L457 | S449-L453 WeakPolarHBondContact O-CB 3.49Å; S449-L453 PolarHBondContact O-N 2.88Å; F450-L453 PolarHBondContact O-N 3.31Å; I451-L453 VanDerWaalsContact C-N 3.34Å; I451-L453 PolarHBondContact O-N 2.85Å; L453-N455 VanDerWaalsContact C-N 3.33Å; L453-S456 PolarHBondContact O-N 3.38Å; L453-S456 PolarHBondContact O-OG 3.45Å; L453-L457 HydrophobicContact CG-CD1 4.27Å; L453-L457 WeakPolarHBondContact O-CB 3.08Å; L453-L457 VanDerWaalsContact O-CG 3.28Å; L453-L457 WeakPolarHBondContact O-CG 3.38Å; L453-L457 PolarHBondContact O-N 2.97Å |
| 454 | V | 87.3 | Confident | 82.4 | Confident | 32 Ų | 32 | 53 Ų | 53 | 19% | 0.194 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 175.9 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | M69 T76 F450 I451 A458 | M69-V454 HydrophobicContact CE-CB 4.31Å; M69-V454 HydrophobicContact CE-CG1 4.23Å; T76-V454 HydrophobicContact CG2-CG1 4.28Å; F450-V454 WeakPolarHBondContact O-CG2 3.36Å; F450-V454 PolarHBondContact O-N 3.31Å; I451-V454 PolarHBondContact O-N 2.87Å; V454-A458 WeakPolarHBondContact O-CB 3.42Å; V454-A458 PolarHBondContact O-N 3.49Å |
| 455 | N | 85 | Confident | 82.6 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -47.1 | 176.3 | -63.7 | -29.6 | 0 | 0 | 0 | 111.1 | M69 I451 S452 L453 L457 A458 Q459 | M69-N455 PolarHBondContact N-OD1 3.01Å; I451-N455 PolarHBondContact O-N 3.46Å; I451-N455 PolarHBondContact O-ND2 2.99Å; S452-N455 PolarHBondContact O-N 2.55Å; L453-N455 VanDerWaalsContact C-N 3.33Å; N455-L457 PolarHBondContact O-N 2.85Å; N455-A458 PolarHBondContact O-N 2.78Å; N455-Q459 VanDerWaalsContact O-CB 3.3Å; N455-Q459 WeakPolarHBondContact O-CB 3.5Å; N455-Q459 WeakPolarHBondContact O-CG 3.46Å; N455-Q459 PolarHBondContact O-N 2.91Å |
| 456 | S | 83.6 | Confident | 83.1 | Confident | 28 Ų | 28 | 48.4 Ų | 48.4 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -41.3 | -179.7 | 67.8 | 0 | 0 | 0 | 0 | 112 | S452 L453 Q459 R460 | S452-S456 PolarHBondContact O-N 3.38Å; S452-S456 PolarHBondContact O-OG 3.47Å; L453-S456 PolarHBondContact O-N 3.38Å; L453-S456 PolarHBondContact O-OG 3.45Å; S456-Q459 PolarHBondContact O-N 2.86Å; S456-R460 WeakPolarHBondContact O-CB 3.47Å; S456-R460 PolarHBondContact O-N 3.47Å |
| 457 | L | 87.6 | Confident | 83.4 | Confident | 33 Ų | 33 | 49.2 Ų | 49.2 | 17% | 0.173 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 173.1 | -72.8 | 170.6 | 0 | 0 | 0 | 112.3 | E83 V84 M87 L453 N455 Q459 R460 Y461 | E83-L457 HydrophobicContact CB-CB 4.45Å; E83-L457 HydrophobicContact CB-CD2 4.49Å; E83-L457 WeakPolarHBondContact CB-O 3.36Å; E83-L457 HydrophobicContact CG-CD2 4.03Å; V84-L457 HydrophobicContact CG2-CD1 3.94Å; M87-L457 HydrophobicContact SD-CD2 4.3Å; L453-L457 HydrophobicContact CG-CD1 4.27Å; L453-L457 WeakPolarHBondContact O-CB 3.08Å; L453-L457 VanDerWaalsContact O-CG 3.28Å; L453-L457 WeakPolarHBondContact O-CG 3.38Å; L453-L457 PolarHBondContact O-N 2.97Å; N455-L457 PolarHBondContact O-N 2.85Å; L457-Q459 PolarHBondContact O-N 3.28Å; L457-R460 PolarHBondContact O-N 2.98Å; L457-Y461 PolarHBondContact O-N 3.3Å; L457-Y461 VanDerWaalsContact O-N 3.07Å |
| 458 | A | 88.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T76 V454 N455 R460 Y461 H462 | T76-A458 HydrophobicContact CG2-CB 3.51Å; T76-A458 VanDerWaalsContact O-CB 3.3Å; T76-A458 WeakPolarHBondContact O-CB 3.38Å; V454-A458 WeakPolarHBondContact O-CB 3.42Å; V454-A458 PolarHBondContact O-N 3.49Å; N455-A458 PolarHBondContact O-N 2.78Å; A458-R460 VanDerWaalsContact C-N 3.3Å; A458-R460 PolarHBondContact O-N 3.15Å; A458-Y461 PolarHBondContact O-N 3.25Å; A458-H462 PolarHBondContact O-N 3.34Å |
| 459 | Q | 84.2 | Confident | 83.8 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 12% | 0.121 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.2 | -34.9 | 175.9 | -76.1 | 179.2 | 8.3 | 0 | 0 | 112.3 | R64 F67 N455 S456 L457 H462 R463 | R64-Q459 HydrophobicContact CG-CB 3.76Å; R64-Q459 HydrophobicContact CG-CG 3.75Å; R64-Q459 PolarHBondContact NE-O 3.26Å; F67-Q459 HydrophobicContact CB-CG 4.44Å; N455-Q459 VanDerWaalsContact O-CB 3.3Å; N455-Q459 WeakPolarHBondContact O-CB 3.5Å; N455-Q459 WeakPolarHBondContact O-CG 3.46Å; N455-Q459 PolarHBondContact O-N 2.91Å; S456-Q459 PolarHBondContact O-N 2.86Å; L457-Q459 PolarHBondContact O-N 3.28Å; Q459-H462 PolarHBondContact O-N 3.15Å; Q459-R463 PolarHBondContact O-N 3.47Å |
| 460 | R | 84.7 | Confident | 84.2 | Confident | 118 Ų | 118 | 55.1 Ų | 55.1 | 45% | 0.445 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 175.1 | -170.1 | 177.9 | -177 | -177.4 | 3.9 | 111.7 | E83 S456 L457 A458 H462 R463 R464 | E83-R460 HydrophobicContact CG-CB 4.23Å; E83-R460 HydrophobicContact CG-CG 4.34Å; E83-R460 WeakPolarHBondContact OE1-CD 3.34Å; E83-R460 WeakPolarHBondContact OE1-CG 3.33Å; E83-R460 IonicContact OE1-CZ 2.7Å; E83-R460 IonicContact OE1-NE 3.55Å; E83-R460 PolarHBondContact OE1-NE 3.41Å; S456-R460 WeakPolarHBondContact O-CB 3.47Å; S456-R460 PolarHBondContact O-N 3.47Å; L457-R460 PolarHBondContact O-N 2.98Å; A458-R460 VanDerWaalsContact C-N 3.3Å; A458-R460 PolarHBondContact O-N 3.15Å; R460-H462 VanDerWaalsContact C-N 3.33Å; R460-H462 PolarHBondContact O-N 3.23Å; R460-R463 WeakPolarHBondContact O-CB 3.42Å; R460-R463 PolarHBondContact O-N 3.39Å; R460-R464 PolarHBondContact O-N 2.86Å; R460-R464 VanDerWaalsContact O-N 3.07Å |
| 461 | Y | 87.1 | Confident | 84.3 | Confident | 17 Ų | 17 | 53.3 Ų | 53.3 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 173.9 | -170 | -114.8 | 0 | 0 | 0 | 112.2 | Y79 C82 E83 L457 A458 R463 R464 L465 | Y79-Y461 AromaticContact CD1-CD1 3.52Å; Y79-Y461 HydrophobicContact CD1-CD1 3.52Å; Y79-Y461 HydrophobicContact CD1-CE1 4.32Å; Y79-Y461 HydrophobicContact CD1-CG 4.45Å; Y79-Y461 HydrophobicContact CE1-CD1 4.05Å; Y79-Y461 AromaticContact CG-CD1 3.76Å; Y79-Y461 HydrophobicContact CG-CD1 3.76Å; Y79-Y461 HydrophobicContact CG-CE1 4.45Å; Y79-Y461 WeakPolarHBondContact O-CB 3.42Å; C82-Y461 HydrophobicContact CB-CD1 3.92Å; C82-Y461 HydrophobicContact CB-CD2 3.87Å; C82-Y461 HydrophobicContact CB-CE1 3.64Å; C82-Y461 HydrophobicContact CB-CE2 3.61Å; C82-Y461 HydrophobicContact CB-CG 4.04Å; C82-Y461 VanDerWaalsContact CB-CZ 3.5Å; E83-Y461 VanDerWaalsContact OE2-CA 3.24Å; E83-Y461 WeakPolarHBondContact OE2-CA 3.27Å; E83-Y461 PolarHBondContact OE2-N 2.85Å; L457-Y461 PolarHBondContact O-N 3.3Å; L457-Y461 VanDerWaalsContact O-N 3.07Å; A458-Y461 PolarHBondContact O-N 3.25Å; Y461-R463 VanDerWaalsContact C-N 3.3Å; Y461-R463 PolarHBondContact O-N 3.05Å; Y461-R464 PolarHBondContact O-N 3.5Å; Y461-L465 HydrophobicContact CD1-CD1 3.98Å; Y461-L465 HydrophobicContact CD1-CG 4.48Å; Y461-L465 HydrophobicContact CE1-CD1 3.65Å; Y461-L465 HydrophobicContact CE1-CG 4.16Å; Y461-L465 PolarHBondContact O-N 3.46Å; Y461-L465 VanDerWaalsContact O-N 3.13Å |
| 462 | H | 85.3 | Confident | 84.2 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 5% | 0.046 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 175.5 | -174.2 | 67.8 | 0 | 0 | 0 | 112.1 | E63 F67 Y79 A458 Q459 R460 L465 W466 | E63-H462 IonicContact OE1-CE1 3.55Å; E63-H462 IonicContact OE2-CE1 2.56Å; E63-H462 IonicContact OE2-NE2 2.83Å; F67-H462 HydrophobicContact CD2-CB 4.31Å; F67-H462 HydrophobicContact CE2-CB 4.1Å; F67-H462 AromaticContact CE2-CD2 3.86Å; F67-H462 AromaticContact CE2-CE1 3.57Å; F67-H462 AromaticContact CE2-CG 3.5Å; F67-H462 VanDerWaalsContact CE2-CG 3.5Å; F67-H462 AromaticContact CE2-ND1 3.32Å; F67-H462 VanDerWaalsContact CE2-ND1 3.32Å; F67-H462 WeakPolarHBondContact CE2-ND1 3.46Å; F67-H462 AromaticContact CE2-NE2 3.87Å; F67-H462 AromaticContact CZ-CE1 3.98Å; F67-H462 AromaticContact CZ-ND1 3.53Å; Y79-H462 HydrophobicContact CD1-CB 4.16Å; Y79-H462 HydrophobicContact CE1-CB 4.22Å; A458-H462 PolarHBondContact O-N 3.34Å; Q459-H462 PolarHBondContact O-N 3.15Å; R460-H462 VanDerWaalsContact C-N 3.33Å; R460-H462 PolarHBondContact O-N 3.23Å; H462-L465 PolarHBondContact O-N 3.48Å; H462-W466 PolarHBondContact O-N 3.24Å |
| 463 | R | 81.8 | Confident | 84.2 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.4 | -45 | 174.8 | -177.2 | -175.4 | -69.7 | -146.8 | -3.6 | 112 | D287 D288 Q459 R460 Y461 L465 W466 E467 | D287-R463 PolarHBondContact O-NH1 2.75Å; D287-R463 PolarHBondContact O-NH2 3.16Å; D288-R463 IonicContact OD1-CZ 3.69Å; D288-R463 IonicContact OD1-NH1 3.96Å; D288-R463 PolarHBondContact OD1-NH1 3.49Å; D288-R463 IonicContact OD1-NH2 3.59Å; Q459-R463 PolarHBondContact O-N 3.47Å; R460-R463 WeakPolarHBondContact O-CB 3.42Å; R460-R463 PolarHBondContact O-N 3.39Å; Y461-R463 VanDerWaalsContact C-N 3.3Å; Y461-R463 PolarHBondContact O-N 3.05Å; R463-L465 PolarHBondContact O-N 3.28Å; R463-W466 WeakPolarHBondContact O-CB 3.33Å; R463-W466 PolarHBondContact O-N 3.07Å; R463-W466 VanDerWaalsContact O-N 3.11Å; R463-E467 PolarHBondContact O-N 2.73Å |
| 464 | R | 84.8 | Confident | 83.9 | Confident | 45 Ų | 45 | 62 Ų | 62 | 17% | 0.17 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.7 | -49.5 | 176 | -68.6 | 176.5 | -178.9 | -122.7 | 3.4 | 111.9 | E83 E90 R460 Y461 W466 E467 E468 | E83-R464 VanDerWaalsContact CD-NE 3.27Å; E83-R464 IonicContact OE1-CZ 2.81Å; E83-R464 IonicContact OE1-NE 3.52Å; E83-R464 PolarHBondContact OE1-NE 2.78Å; E83-R464 IonicContact OE1-NH2 3.78Å; E83-R464 PolarHBondContact OE1-NH2 2.85Å; E83-R464 VanDerWaalsContact OE2-CD 3.22Å; E83-R464 WeakPolarHBondContact OE2-CD 3.45Å; E83-R464 IonicContact OE2-CZ 3.49Å; E83-R464 IonicContact OE2-NE 3.08Å; E83-R464 PolarHBondContact OE2-NE 2.72Å; E90-R464 IonicContact OE1-CZ 3.6Å; E90-R464 IonicContact OE1-NH1 3.77Å; E90-R464 PolarHBondContact OE1-NH1 2.63Å; E90-R464 IonicContact OE1-NH2 2.67Å; E90-R464 IonicContact OE2-CZ 3.93Å; E90-R464 IonicContact OE2-NH1 2.78Å; E90-R464 IonicContact OE2-NH2 3.99Å; E90-R464 PolarHBondContact OE2-NH2 2.95Å; E90-R464 VanDerWaalsContact OE2-NH2 3.08Å; R460-R464 PolarHBondContact O-N 2.86Å; R460-R464 VanDerWaalsContact O-N 3.07Å; Y461-R464 PolarHBondContact O-N 3.5Å; R464-W466 PolarHBondContact O-N 3.19Å; R464-E467 PolarHBondContact O-N 2.75Å; R464-E468 WeakPolarHBondContact O-CG 3.3Å; R464-E468 PolarHBondContact O-N 3.29Å |
| 465 | L | 86.1 | Confident | 83.5 | Confident | 34 Ų | 34 | 66.8 Ų | 66.8 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.9 | -35.8 | 177.2 | -69.3 | 174.9 | 0 | 0 | 0 | 112.2 | Y79 Y461 H462 R463 K469 | Y79-L465 HydrophobicContact CE1-CD1 3.84Å; Y461-L465 HydrophobicContact CD1-CD1 3.98Å; Y461-L465 HydrophobicContact CD1-CG 4.48Å; Y461-L465 HydrophobicContact CE1-CD1 3.65Å; Y461-L465 HydrophobicContact CE1-CG 4.16Å; Y461-L465 PolarHBondContact O-N 3.46Å; Y461-L465 VanDerWaalsContact O-N 3.13Å; H462-L465 PolarHBondContact O-N 3.48Å; R463-L465 PolarHBondContact O-N 3.28Å; L465-K469 VanDerWaalsContact O-CG 3.32Å; L465-K469 WeakPolarHBondContact O-CG 3.43Å; L465-K469 PolarHBondContact O-N 3.02Å; L465-K469 VanDerWaalsContact O-N 3.11Å |
| 466 | W | 82.2 | Confident | 82.7 | Confident | 36 Ų | 36 | 73.7 Ų | 73.7 | 14% | 0.136 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.5 | -45.7 | 176.6 | -178.9 | -92.2 | 0 | 0 | 0 | 112.4 | L56 N60 H462 R463 R464 E468 K469 K470 | L56-W466 HydrophobicContact CD1-CH2 3.74Å; L56-W466 HydrophobicContact CD1-CZ2 4.11Å; L56-W466 HydrophobicContact CD2-CH2 4.12Å; L56-W466 HydrophobicContact CD2-CZ2 3.7Å; L56-W466 HydrophobicContact CG-CH2 3.7Å; L56-W466 HydrophobicContact CG-CZ2 3.53Å; N60-W466 HydrophobicContact CB-CD2 3.76Å; N60-W466 HydrophobicContact CB-CE3 3.99Å; N60-W466 HydrophobicContact CB-CG 4.33Å; N60-W466 HydrophobicContact CB-CH2 4.12Å; N60-W466 HydrophobicContact CB-CZ2 3.91Å; N60-W466 HydrophobicContact CB-CZ3 4.15Å; N60-W466 VanDerWaalsContact CG-CG 3.45Å; N60-W466 PolarHBondContact ND2-NE1 3.22Å; H462-W466 PolarHBondContact O-N 3.24Å; R463-W466 WeakPolarHBondContact O-CB 3.33Å; R463-W466 PolarHBondContact O-N 3.07Å; R463-W466 VanDerWaalsContact O-N 3.11Å; R464-W466 PolarHBondContact O-N 3.19Å; W466-E468 VanDerWaalsContact C-N 3.32Å; W466-E468 PolarHBondContact O-N 3.5Å; W466-K469 WeakPolarHBondContact O-CB 3.31Å; W466-K469 PolarHBondContact O-N 3.3Å; W466-K470 PolarHBondContact O-N 3.14Å |
| 467 | E | 81.6 | Confident | 81.4 | Confident | 94 Ų | 94 | 77 Ų | 77 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 177.6 | -73.5 | 174.6 | -165.3 | 0 | 0 | 112 | R463 R464 K470 K471 | R463-E467 PolarHBondContact O-N 2.73Å; R464-E467 PolarHBondContact O-N 2.75Å; E467-K470 PolarHBondContact O-N 2.67Å; E467-K471 WeakPolarHBondContact O-CG 3.04Å; E467-K471 PolarHBondContact O-N 3.03Å |
| 468 | E | 83.7 | Confident | 79.8 | Confident | 63 Ų | 63 | 78.2 Ų | 78.2 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61 | -46 | 172.7 | -74.2 | 170.9 | -170.5 | 0 | 0 | 111.7 | R464 W466 K470 K471 Q472 | R464-E468 WeakPolarHBondContact O-CG 3.3Å; R464-E468 PolarHBondContact O-N 3.29Å; W466-E468 VanDerWaalsContact C-N 3.32Å; W466-E468 PolarHBondContact O-N 3.5Å; E468-K470 VanDerWaalsContact C-N 3.33Å; E468-K470 PolarHBondContact O-N 3.21Å; E468-K471 PolarHBondContact O-N 2.76Å; E468-Q472 WeakPolarHBondContact O-CG 3.33Å; E468-Q472 PolarHBondContact O-N 3.5Å |
| 469 | K | 84.6 | Confident | 78.4 | Confident | 116 Ų | 116 | 83.9 Ų | 83.9 | 50% | 0.504 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 173.7 | -75.2 | 176.3 | -179.1 | -176.6 | 0 | 112.1 | L465 W466 K471 Q472 M473 | L465-K469 VanDerWaalsContact O-CG 3.32Å; L465-K469 WeakPolarHBondContact O-CG 3.43Å; L465-K469 PolarHBondContact O-N 3.02Å; L465-K469 VanDerWaalsContact O-N 3.11Å; W466-K469 WeakPolarHBondContact O-CB 3.31Å; W466-K469 PolarHBondContact O-N 3.3Å; K469-K471 VanDerWaalsContact C-N 3.33Å; K469-K471 PolarHBondContact O-N 3.18Å; K469-Q472 PolarHBondContact O-N 3.48Å; K469-M473 WeakPolarHBondContact O-CG 3.48Å; K469-M473 PolarHBondContact O-N 3.12Å |
| 470 | K | 81.2 | Confident | 77.2 | Confident | 81 Ų | 81 | 89.7 Ų | 89.7 | 35% | 0.352 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.2 | -37.1 | 177.1 | -172.2 | 177 | 179.9 | 176.5 | 0 | 111.8 | W466 E467 E468 R474 | W466-K470 PolarHBondContact O-N 3.14Å; E467-K470 PolarHBondContact O-N 2.67Å; E468-K470 VanDerWaalsContact C-N 3.33Å; E468-K470 PolarHBondContact O-N 3.21Å; K470-R474 PolarHBondContact O-N 3.35Å; K470-R474 VanDerWaalsContact O-N 3.17Å |
| 471 | K | 83.2 | Confident | 75.8 | Confident | 98 Ų | 98 | 91.7 Ų | 91.7 | 43% | 0.426 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.8 | -48.5 | 171.9 | -71.3 | 172.6 | -177.3 | 174.9 | 0 | 110.9 | E467 E468 K469 M473 R474 D475 | E467-K471 WeakPolarHBondContact O-CG 3.04Å; E467-K471 PolarHBondContact O-N 3.03Å; E468-K471 PolarHBondContact O-N 2.76Å; K469-K471 VanDerWaalsContact C-N 3.33Å; K469-K471 PolarHBondContact O-N 3.18Å; K471-M473 VanDerWaalsContact C-N 3.28Å; K471-M473 PolarHBondContact O-N 2.89Å; K471-R474 PolarHBondContact O-N 2.86Å; K471-D475 PolarHBondContact O-N 2.59Å |
| 472 | Q | 83 | Confident | 74 | Confident | 132 Ų | 132 | 96.3 Ų | 96.3 | 62% | 0.617 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60.4 | -34.3 | 177.3 | -70.3 | 173.8 | 9.9 | 0 | 0 | 113.6 | E468 K469 K476 | E468-Q472 WeakPolarHBondContact O-CG 3.33Å; E468-Q472 PolarHBondContact O-N 3.5Å; K469-Q472 PolarHBondContact O-N 3.48Å; Q472-K476 PolarHBondContact O-N 3.08Å |
| 473 | M | 78.8 | Confident | 71.9 | Confident | 111 Ų | 111 | 108.4 Ų | 108.4 | 55% | 0.547 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -71.3 | -34.2 | 174.8 | -72.6 | -172.6 | -67 | 0 | 0 | 112.6 | L56 K469 K471 | L56-M473 HydrophobicContact CD2-CE 4.35Å; K469-M473 WeakPolarHBondContact O-CG 3.48Å; K469-M473 PolarHBondContact O-N 3.12Å; K471-M473 VanDerWaalsContact C-N 3.28Å; K471-M473 PolarHBondContact O-N 2.89Å |
| 474 | R | 78.4 | Confident | 71.4 | Confident | 170 Ų | 170 | 111.8 Ų | 111.8 | 64% | 0.642 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -74.5 | -34.5 | 175.5 | -78 | -173.5 | -71.4 | -167.6 | 1.4 | 113.1 | K470 K471 K476 | K470-R474 PolarHBondContact O-N 3.35Å; K470-R474 VanDerWaalsContact O-N 3.17Å; K471-R474 PolarHBondContact O-N 2.86Å; R474-K476 VanDerWaalsContact C-N 3.28Å; R474-K476 PolarHBondContact O-N 3.2Å |
| 475 | D | 77.6 | Confident | 70.7 | Confident | 132 Ų | 132 | 115.3 Ų | 115.3 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -83.8 | -3.1 | -178.7 | -64.6 | -18.7 | 0 | 0 | 0 | 113 | K471 P477 | K471-D475 PolarHBondContact O-N 2.59Å; D475-P477 WeakPolarHBondContact O-CD 3.16Å |
| 476 | K | 69 | Low | 69.8 | Low | 163 Ų | 163 | 119.8 Ų | 119.8 | 71% | 0.709 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -78.8 | 115.6 | 176.3 | -138.1 | 177.3 | -174.8 | -175.8 | 0 | 108 | Q472 R474 S478 | Q472-K476 PolarHBondContact O-N 3.08Å; R474-K476 VanDerWaalsContact C-N 3.28Å; R474-K476 PolarHBondContact O-N 3.2Å; K476-S478 PolarHBondContact O-N 2.86Å |
| 477 | P | 56.6 | Low | 69.1 | Low | 98 Ų | 98 | 124.8 Ų | 124.8 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | trans | -58.4 | 138.6 | 176.3 | 23.1 | -31.1 | 0 | 0 | 0 | 109.1 | D475 | D475-P477 WeakPolarHBondContact O-CD 3.16Š| ||
| 478 | S | 53.3 | Low | 68.3 | Low | 57 Ų | 57 | 126.7 Ų | 126.7 | 40% | 0.399 | 63% | 0.629 | S | S | . | * | trans | -56.8 | 142.9 | 175 | 65.9 | 0 | 0 | 0 | 0 | 108.5 | K476 D480 E481 | K476-S478 PolarHBondContact O-N 2.86Å; S478-D480 PolarHBondContact O-N 3.34Å; S478-E481 PolarHBondContact O-N 3.41Å | ||
| 479 | P | 58.9 | Low | 67.3 | Low | 119 Ų | 119 | 130.9 Ų | 130.9 | 77% | 0.773 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -4.1 | 176.4 | -20.6 | 31.1 | 0 | 0 | 0 | 114.6 | ||
| 480 | D | 59.5 | Low | 66 | Low | 148 Ų | 148 | 132 Ų | 132 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 1.4 | -172 | -57.3 | -36.4 | 0 | 0 | 0 | 113.8 | S478 | S478-D480 PolarHBondContact O-N 3.34Š|
| 481 | E | 54.2 | Low | 64.9 | Low | 161 Ų | 161 | 135.9 Ų | 135.9 | 75% | 0.752 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -97.6 | 10.1 | 173.5 | -89.6 | -168.9 | 141 | 0 | 0 | 114.1 | S478 | S478-E481 PolarHBondContact O-N 3.41Š|
| 482 | V | 50 | Low | 63.3 | Low | 113 Ų | 113 | 139.1 Ų | 139.1 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | trans | -119.4 | 69.7 | 175.5 | -171 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 483 | H | 40.6 | Very low | 61.5 | Low | 265 Ų | 265 | 139.7 Ų | 139.7 | 100% | 1.227 | 72% | 0.715 | S | S | * | * | trans | -161.6 | 0 | 151.9 | -102 | -50.4 | 0 | 0 | 0 | 113.5 |
Retrieved 483 of 483 residues in 170.4 ms
(Link to these results)