| 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 | 41.1 | Very low | 54.7 | Low | 240 Ų | 240 | 133 Ų | 133 | 100% | 1.182 | 72% | 0.719 | S | S | * | * | 0 | 115.2 | 0 | -79.5 | -162.4 | -89.3 | 0 | 0 | 107 | |||||
| 2 | T | 52.8 | Low | 53.7 | Low | 111 Ų | 111 | 139.2 Ų | 139.2 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | trans | -72.7 | 141.8 | 178.6 | 31.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 3 | T | 69.3 | Low | 53.1 | Low | 84 Ų | 84 | 138.6 Ų | 138.6 | 52% | 0.515 | 73% | 0.731 | S | S | . | * | trans | -82.9 | 160.1 | -174.6 | 61.4 | 0 | 0 | 0 | 0 | 110.9 | D5 D6 | T3-D5 PolarHBondContact O-N 3.41Å; T3-D6 PolarHBondContact N-OD2 3.26Å; T3-D6 PolarHBondContact O-N 3.25Å; T3-D6 PolarHBondContact OG1-OD2 3.34Å | ||
| 4 | L | 54.5 | Low | 52.1 | Low | 146 Ų | 146 | 141.5 Ų | 141.5 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -24.6 | -175.9 | -85.1 | 161 | 0 | 0 | 0 | 113.1 | K7 | L4-K7 PolarHBondContact O-N 3.34Š|
| 5 | D | 56.1 | Low | 51.1 | Low | 115 Ų | 115 | 148 Ų | 148 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -32.6 | 177.3 | -67.4 | -47.4 | 0 | 0 | 0 | 112.4 | T3 K7 L8 L9 | T3-D5 PolarHBondContact O-N 3.41Å; D5-K7 PolarHBondContact O-N 3.11Å; D5-L8 PolarHBondContact O-N 2.69Å; D5-L8 VanDerWaalsContact O-N 3.15Å; D5-L9 PolarHBondContact O-N 3.38Å |
| 6 | D | 59.8 | Low | 50.4 | Low | 89 Ų | 89 | 152.7 Ų | 152.7 | 48% | 0.476 | 76% | 0.759 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.4 | -26.7 | 177.9 | -63.6 | -35.6 | 0 | 0 | 0 | 112.6 | T3 | T3-D6 PolarHBondContact N-OD2 3.26Å; T3-D6 PolarHBondContact O-N 3.25Å; T3-D6 PolarHBondContact OG1-OD2 3.34Å |
| 7 | K | 62.4 | Low | 49.5 | Very low | 162 Ų | 162 | 156.4 Ų | 156.4 | 70% | 0.704 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -20.2 | 178.4 | -72.1 | -178.5 | 179.6 | 179.2 | 0 | 113 | L4 D5 | L4-K7 PolarHBondContact O-N 3.34Å; D5-K7 PolarHBondContact O-N 3.11Å |
| 8 | L | 56 | Low | 49 | Very low | 155 Ų | 155 | 153.6 Ų | 153.6 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -26.5 | -176.5 | -138.3 | 81.2 | 0 | 0 | 0 | 112.5 | D5 | D5-L8 PolarHBondContact O-N 2.69Å; D5-L8 VanDerWaalsContact O-N 3.15Å |
| 9 | L | 57 | Low | 48.6 | Very low | 142 Ų | 142 | 151.1 Ų | 151.1 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -95 | 0.6 | -174.2 | -86.1 | 156.9 | 0 | 0 | 0 | 115.5 | D5 E11 | D5-L9 PolarHBondContact O-N 3.38Å; L9-E11 PolarHBondContact O-N 3Å |
| 10 | G | 47.7 | Very low | 48.3 | Very low | 69 Ų | 69 | 148.9 Ų | 148.9 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 62.1 | 18.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K12 | G10-K12 PolarHBondContact O-N 3.37Å; G10-K12 VanDerWaalsContact O-N 3.15Å | ||
| 11 | E | 45.5 | Very low | 47.9 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -83.1 | 94.3 | -176.1 | -145 | -175.7 | 178 | 0 | 0 | 110.1 | L9 L13 | L9-E11 PolarHBondContact O-N 3Å; E11-L13 VanDerWaalsContact C-N 3.28Å; E11-L13 HydrophobicContact CG-CD1 3.87Å; E11-L13 PolarHBondContact O-N 3.17Å; E11-L13 VanDerWaalsContact O-N 3.08Å; E11-L13 WeakPolarHBondContact OE1-CD1 3.15Å | ||
| 12 | K | 42 | Very low | 48.1 | Very low | 207 Ų | 207 | 146.8 Ų | 146.8 | 90% | 0.9 | 75% | 0.75 | S | S | * | * | trans | -76.7 | 80.7 | 165.1 | -83.6 | -175.6 | 175.4 | 179.5 | 0 | 109.3 | G10 Q14 | G10-K12 PolarHBondContact O-N 3.37Å; G10-K12 VanDerWaalsContact O-N 3.15Å; K12-Q14 PolarHBondContact O-N 2.65Å | ||
| 13 | L | 46.5 | Very low | 47.9 | Very low | 132 Ų | 132 | 149.8 Ų | 149.8 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | trans | -72.4 | 115.1 | 153 | -100.1 | 90.8 | 0 | 0 | 0 | 107.1 | E11 | E11-L13 VanDerWaalsContact C-N 3.28Å; E11-L13 HydrophobicContact CG-CD1 3.87Å; E11-L13 PolarHBondContact O-N 3.17Å; E11-L13 VanDerWaalsContact O-N 3.08Å; E11-L13 WeakPolarHBondContact OE1-CD1 3.15Å | ||
| 14 | Q | 38.5 | Very low | 46.6 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | 169.3 | 93.1 | 138.7 | -70.9 | -133.4 | -27.5 | 0 | 0 | 109.2 | K12 | K12-Q14 PolarHBondContact O-N 2.65Š| ||
| 15 | Y | 38 | Very low | 45.9 | Very low | 239 Ų | 239 | 147 Ų | 147 | 94% | 0.937 | 77% | 0.765 | S | S | * | * | trans | -139.1 | 55.2 | 156.8 | -90 | -73.4 | 0 | 0 | 0 | 109.3 | ||||
| 16 | Y | 39.5 | Very low | 45.1 | Very low | 223 Ų | 223 | 149.1 Ų | 149.1 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | trans | -106.8 | 106.1 | 164.8 | -96.7 | -89 | 0 | 0 | 0 | 107.8 | S18 | Y16-S18 PolarHBondContact O-N 3.41Š| ||
| 17 | Y | 35.6 | Very low | 44.1 | Very low | 215 Ų | 215 | 152.1 Ų | 152.1 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -91.3 | 88.5 | 169.3 | -146.2 | -97.4 | 0 | 0 | 0 | 107.4 | S19 | Y17-S19 WeakPolarHBondContact CD1-OG 3.49Å; Y17-S19 WeakPolarHBondContact CE1-OG 3.16Å; Y17-S19 PolarHBondContact O-N 3.4Å | ||
| 18 | S | 40 | Very low | 43.1 | Very low | 107 Ų | 107 | 151.7 Ų | 151.7 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -80.5 | 102 | 164.4 | -83.6 | 0 | 0 | 0 | 0 | 107.9 | Y16 S20 | Y16-S18 PolarHBondContact O-N 3.41Å; S18-S20 PolarHBondContact O-N 3.19Å | ||
| 19 | S | 40.6 | Very low | 42.2 | Very low | 105 Ų | 105 | 152.1 Ų | 152.1 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -82.4 | 101.5 | 168.7 | -81.1 | 0 | 0 | 0 | 0 | 109.8 | Y17 | Y17-S19 WeakPolarHBondContact CD1-OG 3.49Å; Y17-S19 WeakPolarHBondContact CE1-OG 3.16Å; Y17-S19 PolarHBondContact O-N 3.4Å | ||
| 20 | S | 44.2 | Very low | 41.3 | Very low | 107 Ų | 107 | 153.8 Ų | 153.8 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -131.5 | 86.7 | 157.7 | 61.6 | 0 | 0 | 0 | 0 | 107.5 | S18 | S18-S20 PolarHBondContact O-N 3.19Š| ||
| 21 | E | 38.3 | Very low | 40.7 | Very low | 188 Ų | 188 | 158.1 Ų | 158.1 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -137.2 | 112.6 | 166.8 | -69.7 | -170 | 150.1 | 0 | 0 | 109.2 | ||||
| 22 | D | 46.3 | Very low | 39.9 | Very low | 158 Ų | 158 | 154.2 Ų | 154.2 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -81.7 | 114.2 | 166.1 | 172.4 | 40.5 | 0 | 0 | 0 | 106.8 | ||||
| 23 | E | 48.4 | Very low | 39.8 | Very low | 173 Ų | 173 | 152.5 Ų | 152.5 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -137.9 | 107.9 | 169.4 | -75.8 | -67.6 | 173.4 | 0 | 0 | 108.2 | ||||
| 24 | G | 42.6 | Very low | 39.2 | Very low | 72 Ų | 72 | 157.3 Ų | 157.3 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -72.6 | 131 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 25 | S | 38.2 | Very low | 39 | Very low | 101 Ų | 101 | 157.1 Ų | 157.1 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | -139.8 | 105.1 | 165.4 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 26 | D | 41.1 | Very low | 38.8 | Very low | 158 Ų | 158 | 151.7 Ų | 151.7 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -59.7 | 131.1 | 159.3 | -79.3 | -33.3 | 0 | 0 | 0 | 109 | ||||
| 27 | N | 38.4 | Very low | 39 | Very low | 152 Ų | 152 | 149 Ų | 149 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -153.9 | 105 | 153.8 | -88.7 | -40.5 | 0 | 0 | 0 | 107.8 | ||||
| 28 | D | 41.6 | Very low | 39.4 | Very low | 154 Ų | 154 | 148.7 Ų | 148.7 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -68.4 | 131.7 | 157.6 | -72.1 | -45.2 | 0 | 0 | 0 | 108.8 | ||||
| 29 | D | 37 | Very low | 39.3 | Very low | 164 Ų | 164 | 149.6 Ų | 149.6 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -174.8 | 150.3 | 137.1 | -91.1 | -27.4 | 0 | 0 | 0 | 112 | ||||
| 30 | E | 36.9 | Very low | 39.1 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -72.7 | 154.2 | -161.1 | -74.7 | 168.3 | 139 | 0 | 0 | 118 | ||||
| 31 | D | 34.9 | Very low | 38.7 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | 52.7 | 117.2 | 145.1 | -75.9 | -22.4 | 0 | 0 | 0 | 122.6 | ||||
| 32 | G | 30.2 | Very low | 38.7 | Very low | 69 Ų | 69 | 140.4 Ų | 140.4 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -169.2 | 84.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R34 | G32-R34 PolarHBondContact O-N 2.94Š| ||
| 33 | E | 40 | Very low | 38.6 | Very low | 171 Ų | 171 | 139 Ų | 139 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -44.2 | 108.9 | 175.7 | -67.5 | -172 | 145.8 | 0 | 0 | 113 | ||||
| 34 | R | 33 | Very low | 38.3 | Very low | 232 Ų | 232 | 135.4 Ų | 135.4 | 88% | 0.875 | 75% | 0.752 | S | S | * | * | trans | -111.3 | 95.1 | 156.1 | -76.5 | -173.1 | 179.5 | -172.6 | 1.9 | 108.7 | G32 T36 | G32-R34 PolarHBondContact O-N 2.94Å; R34-T36 PolarHBondContact O-N 3.03Å | ||
| 35 | K | 35.3 | Very low | 38.3 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | trans | -59.1 | 99.9 | 170.4 | -66.5 | 178.9 | -179.4 | 175.7 | 0 | 109.3 | ||||
| 36 | T | 32.7 | Very low | 38.5 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 77% | 0.767 | 74% | 0.736 | S | S | * | * | trans | -94.8 | 106.4 | 160.4 | 50.1 | 0 | 0 | 0 | 0 | 107.2 | R34 R38 | R34-T36 PolarHBondContact O-N 3.03Å; T36-R38 VanDerWaalsContact C-N 3.3Å; T36-R38 PolarHBondContact O-N 2.87Å | ||
| 37 | I | 44 | Very low | 38.9 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 86% | 0.862 | 71% | 0.711 | S | S | * | * | trans | -75.6 | 90.7 | 168.7 | -60.3 | 168.8 | 0 | 0 | 0 | 105.6 | ||||
| 38 | R | 43.4 | Very low | 39.4 | Very low | 207 Ų | 207 | 128.7 Ų | 128.7 | 78% | 0.781 | 70% | 0.695 | S | S | * | * | trans | -130.8 | 109.5 | 164.1 | -78.4 | -171.5 | 166.4 | -174.7 | -7.3 | 108.4 | T36 A40 | T36-R38 VanDerWaalsContact C-N 3.3Å; T36-R38 PolarHBondContact O-N 2.87Å; R38-A40 PolarHBondContact O-N 2.86Å | ||
| 39 | D | 37.3 | Very low | 39.6 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 68% | 0.679 | 68% | 0.677 | S | S | * | * | trans | -57.2 | 124.7 | 173.1 | -179.9 | 26 | 0 | 0 | 0 | 110.1 | G41 | D39-G41 PolarHBondContact O-N 2.84Š| ||
| 40 | A | 37.8 | Very low | 40.4 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 91% | 0.909 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 11 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R38 | R38-A40 PolarHBondContact O-N 2.86Š|
| 41 | G | 35.8 | Very low | 41.2 | Very low | 59 Ų | 59 | 119 Ų | 119 | 61% | 0.608 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -5.6 | -174 | 0 | 0 | 0 | 0 | 0 | 116.6 | D39 T43 | D39-G41 PolarHBondContact O-N 2.84Å; G41-T43 PolarHBondContact O-N 3.27Å |
| 42 | A | 37.4 | Very low | 42.3 | Very low | 37 Ų | 37 | 118.4 Ų | 118.4 | 31% | 0.306 | 66% | 0.658 | S | S | . | * | trans | -87.4 | 113.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E44 K180 | A42-E44 HydrophobicContact CB-CG 4.15Å; A42-E44 PolarHBondContact O-N 2.7Å; A42-K180 HydrophobicContact CB-CD 4.25Å | ||
| 43 | T | 43.9 | Very low | 43.8 | Very low | 128 Ų | 128 | 117.6 Ų | 117.6 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | trans | -73 | 80.6 | 162.1 | -26.6 | 0 | 0 | 0 | 0 | 107.2 | G41 | G41-T43 PolarHBondContact O-N 3.27Š| ||
| 44 | E | 42.1 | Very low | 45.2 | Very low | 99 Ų | 99 | 111 Ų | 111 | 46% | 0.463 | 62% | 0.622 | S | S | . | * | trans | -63.8 | 150.8 | 172.2 | -68.5 | -153.6 | 167.4 | 0 | 0 | 109.8 | A42 D46 | A42-E44 HydrophobicContact CB-CG 4.15Å; A42-E44 PolarHBondContact O-N 2.7Å; E44-D46 PolarHBondContact O-N 3.25Å | ||
| 45 | P | 42.7 | Very low | 46.9 | Very low | 74 Ų | 74 | 102.7 Ų | 102.7 | 48% | 0.481 | 60% | 0.603 | S | S | . | * | trans | -53.3 | 139 | 165.7 | 24.3 | -32.7 | 0 | 0 | 0 | 108.6 | I47 | P45-I47 HydrophobicContact CG-CD1 4.33Å; P45-I47 HydrophobicContact CG-CG1 4.36Å; P45-I47 PolarHBondContact O-N 2.84Å | ||
| 46 | D | 42.8 | Very low | 49.1 | Very low | 118 Ų | 118 | 95 Ų | 95 | 63% | 0.631 | 57% | 0.571 | S | S | * | * | trans | -61.7 | 82.8 | 177.8 | -74.6 | -44.1 | 0 | 0 | 0 | 109.9 | E44 D48 | E44-D46 PolarHBondContact O-N 3.25Å; D46-D48 PolarHBondContact O-N 2.92Å | ||
| 47 | I | 48.5 | Very low | 51.3 | Low | 64 Ų | 64 | 92.5 Ų | 92.5 | 33% | 0.328 | 55% | 0.553 | S | S | . | * | trans | -82.7 | 107.7 | 170.2 | -61.1 | 164.4 | 0 | 0 | 0 | 104.8 | P45 Y49 | P45-I47 HydrophobicContact CG-CD1 4.33Å; P45-I47 HydrophobicContact CG-CG1 4.36Å; P45-I47 PolarHBondContact O-N 2.84Å; I47-Y49 HydrophobicContact CB-CD2 4.16Å; I47-Y49 HydrophobicContact CB-CE2 3.59Å; I47-Y49 HydrophobicContact CD1-CE2 4.49Å; I47-Y49 WeakPolarHBondContact CD1-OH 3.35Å; I47-Y49 HydrophobicContact CG2-CD1 4.29Å; I47-Y49 HydrophobicContact CG2-CD2 4.09Å; I47-Y49 HydrophobicContact CG2-CE1 3.91Å; I47-Y49 HydrophobicContact CG2-CE2 3.71Å; I47-Y49 HydrophobicContact CG2-CG 4.37Å; I47-Y49 WeakPolarHBondContact O-CD2 3.41Å; I47-Y49 PolarHBondContact O-N 2.95Å | ||
| 48 | D | 49.6 | Very low | 53.3 | Low | 86 Ų | 86 | 89.6 Ų | 89.6 | 46% | 0.46 | 54% | 0.543 | S | S | . | . | trans | -56.8 | 102.3 | 168.4 | -92.5 | -26.1 | 0 | 0 | 0 | 107.6 | D46 V56 K69 | D46-D48 PolarHBondContact O-N 2.92Å; D48-V56 HydrophobicContact CB-CG2 4.39Å; D48-V56 WeakPolarHBondContact O-CG2 3.19Å; D48-K69 IonicContact OD2-NZ 3.74Å; D48-K69 PolarHBondContact OD2-NZ 3.49Å | ||
| 49 | Y | 45.3 | Very low | 55.3 | Low | 115 Ų | 115 | 82 Ų | 82 | 45% | 0.451 | 53% | 0.529 | S | S | . | . | B | Isolated β-bridge | trans | -90.4 | 138.5 | 170.1 | -68.3 | -82.8 | 0 | 0 | 0 | 108.7 | I47 | I47-Y49 HydrophobicContact CB-CD2 4.16Å; I47-Y49 HydrophobicContact CB-CE2 3.59Å; I47-Y49 HydrophobicContact CD1-CE2 4.49Å; I47-Y49 WeakPolarHBondContact CD1-OH 3.35Å; I47-Y49 HydrophobicContact CG2-CD1 4.29Å; I47-Y49 HydrophobicContact CG2-CD2 4.09Å; I47-Y49 HydrophobicContact CG2-CE1 3.91Å; I47-Y49 HydrophobicContact CG2-CE2 3.71Å; I47-Y49 HydrophobicContact CG2-CG 4.37Å; I47-Y49 WeakPolarHBondContact O-CD2 3.41Å; I47-Y49 PolarHBondContact O-N 2.95Å |
| 50 | S | 54.9 | Low | 57.7 | Low | 52 Ų | 52 | 81.1 Ų | 81.1 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | trans | -62.3 | 159.2 | 163.2 | -77 | 0 | 0 | 0 | 0 | 110.1 | D52 G53 V56 | S50-D52 PolarHBondContact O-N 2.77Å; S50-G53 PolarHBondContact O-N 3.34Å; S50-V56 WeakPolarHBondContact OG-CG1 3.25Å | ||
| 51 | A | 53.6 | Low | 59.9 | Low | 122 Ų | 122 | 81.3 Ų | 81.3 | 100% | 1.008 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -20.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 52 | D | 57 | Low | 62.2 | Low | 149 Ų | 149 | 78.7 Ų | 78.7 | 80% | 0.797 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 9.9 | 178.9 | -158.4 | 31 | 0 | 0 | 0 | 113.7 | S50 S54 | S50-D52 PolarHBondContact O-N 2.77Å; D52-S54 PolarHBondContact O-N 2.7Å; D52-S54 VanDerWaalsContact O-N 3.09Å |
| 53 | G | 63.1 | Low | 64.6 | Low | 51 Ų | 51 | 81.9 Ų | 81.9 | 53% | 0.526 | 50% | 0.5 | S | S | . | . | trans | 71.3 | 1.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116 | S50 | S50-G53 PolarHBondContact O-N 3.34Š| ||
| 54 | S | 68.3 | Low | 66.5 | Low | 33 Ų | 33 | 79.9 Ų | 79.9 | 23% | 0.231 | 48% | 0.483 | C | S | . | . | trans | -77.9 | 135.3 | 179 | 92.5 | 0 | 0 | 0 | 0 | 111.9 | D52 V56 K61 | D52-S54 PolarHBondContact O-N 2.7Å; D52-S54 VanDerWaalsContact O-N 3.09Å; S54-V56 PolarHBondContact O-N 3.42Å; S54-K61 PolarHBondContact OG-NZ 3.44Å | ||
| 55 | A | 69.3 | Low | 68.5 | Low | 57 Ų | 57 | 76.8 Ų | 76.8 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | B | Isolated β-bridge | trans | -60 | 131.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 56 | V | 80.6 | Confident | 70.5 | Confident | 13 Ų | 13 | 75.8 Ų | 75.8 | 8% | 0.079 | 46% | 0.46 | C | S | . | . | trans | -117 | 15.8 | -178.6 | -68.4 | 0 | 0 | 0 | 0 | 113.1 | D48 S50 S54 G62 N65 | D48-V56 HydrophobicContact CB-CG2 4.39Å; D48-V56 WeakPolarHBondContact O-CG2 3.19Å; S50-V56 WeakPolarHBondContact OG-CG1 3.25Å; S54-V56 PolarHBondContact O-N 3.42Å; V56-G62 VanDerWaalsContact O-CA 3.27Å; V56-G62 WeakPolarHBondContact O-CA 3.4Å; V56-N65 HydrophobicContact CB-CB 4.3Å; V56-N65 PolarHBondContact O-ND2 2.73Å | ||
| 57 | N | 79.4 | Confident | 72.4 | Confident | 73 Ų | 73 | 77.4 Ų | 77.4 | 39% | 0.39 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -103.7 | -12.9 | -174.1 | -55.5 | 70 | 0 | 0 | 0 | 112.8 | ||
| 58 | T | 85.7 | Confident | 74.1 | Confident | 107 Ų | 107 | 81.7 Ų | 81.7 | 66% | 0.656 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -134.1 | 157.2 | -175 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | G62 | T58-G62 PolarHBondContact O-N 3.33Å; T58-G62 VanDerWaalsContact O-N 3.13Å |
| 59 | G | 87.1 | Confident | 75.7 | Confident | 48 Ų | 48 | 80.5 Ų | 80.5 | 50% | 0.495 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | 65.3 | -156.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K61 G62 V63 | G59-K61 PolarHBondContact O-N 3.24Å; G59-G62 PolarHBondContact O-N 3.32Å; G59-G62 VanDerWaalsContact O-N 3.1Å; G59-V63 PolarHBondContact O-N 3.36Å; G59-V63 VanDerWaalsContact O-N 3.16Å |
| 60 | P | 86.3 | Confident | 77.5 | Confident | 109 Ų | 109 | 76 Ų | 76 | 71% | 0.708 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -57.8 | -32.6 | -179.5 | -26.4 | 35.2 | 0 | 0 | 0 | 113.8 | I64 | P60-I64 WeakPolarHBondContact O-CD1 3.47Å; P60-I64 VanDerWaalsContact O-CG1 3.29Å; P60-I64 WeakPolarHBondContact O-CG1 3.33Å; P60-I64 PolarHBondContact O-N 3.05Å; P60-I64 VanDerWaalsContact O-N 3.17Å |
| 61 | K | 83.6 | Confident | 78.8 | Confident | 113 Ų | 113 | 77.1 Ų | 77.1 | 49% | 0.491 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.7 | -41.6 | 176.4 | -70.3 | -174.6 | 173.6 | -175.6 | 0 | 112 | S54 G59 I64 N65 | S54-K61 PolarHBondContact OG-NZ 3.44Å; G59-K61 PolarHBondContact O-N 3.24Å; K61-I64 PolarHBondContact O-N 2.86Å; K61-N65 WeakPolarHBondContact O-CB 3.45Å; K61-N65 PolarHBondContact O-N 2.94Å |
| 62 | G | 86.1 | Confident | 80.2 | Confident | 4 Ų | 4 | 77.8 Ų | 77.8 | 4% | 0.041 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -56 | -49.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V56 T58 G59 I64 N65 D66 | V56-G62 VanDerWaalsContact O-CA 3.27Å; V56-G62 WeakPolarHBondContact O-CA 3.4Å; T58-G62 PolarHBondContact O-N 3.33Å; T58-G62 VanDerWaalsContact O-N 3.13Å; G59-G62 PolarHBondContact O-N 3.32Å; G59-G62 VanDerWaalsContact O-N 3.1Å; G62-I64 PolarHBondContact O-N 3.14Å; G62-N65 PolarHBondContact O-N 3.44Å; G62-D66 WeakPolarHBondContact O-CB 3.44Å; G62-D66 PolarHBondContact O-N 3.07Å |
| 63 | V | 87.3 | Confident | 81.4 | Confident | 105 Ų | 105 | 73.5 Ų | 73.5 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61 | -43.6 | 179.3 | 179 | 0 | 0 | 0 | 0 | 111.7 | G59 N65 W67 | G59-V63 PolarHBondContact O-N 3.36Å; G59-V63 VanDerWaalsContact O-N 3.16Å; V63-N65 VanDerWaalsContact C-N 3.35Å; V63-W67 VanDerWaalsContact O-CB 3.3Å; V63-W67 WeakPolarHBondContact O-CB 3.49Å; V63-W67 PolarHBondContact O-N 3.25Å |
| 64 | I | 83.6 | Confident | 82.3 | Confident | 85 Ų | 85 | 71.9 Ų | 71.9 | 44% | 0.436 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 178 | -66.9 | 165.2 | 0 | 0 | 0 | 111 | P60 K61 G62 W67 R68 | P60-I64 WeakPolarHBondContact O-CD1 3.47Å; P60-I64 VanDerWaalsContact O-CG1 3.29Å; P60-I64 WeakPolarHBondContact O-CG1 3.33Å; P60-I64 PolarHBondContact O-N 3.05Å; P60-I64 VanDerWaalsContact O-N 3.17Å; K61-I64 PolarHBondContact O-N 2.86Å; G62-I64 PolarHBondContact O-N 3.14Å; I64-W67 PolarHBondContact O-N 3.01Å; I64-R68 WeakPolarHBondContact O-CG 3.14Å; I64-R68 PolarHBondContact O-N 2.69Å |
| 65 | N | 83.4 | Confident | 82.9 | Confident | 35 Ų | 35 | 74 Ų | 74 | 19% | 0.187 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.5 | -47.9 | 179.6 | -169.3 | 39.7 | 0 | 0 | 0 | 111.7 | V56 K61 G62 V63 W67 R68 K69 | V56-N65 HydrophobicContact CB-CB 4.3Å; V56-N65 PolarHBondContact O-ND2 2.73Å; K61-N65 WeakPolarHBondContact O-CB 3.45Å; K61-N65 PolarHBondContact O-N 2.94Å; G62-N65 PolarHBondContact O-N 3.44Å; V63-N65 VanDerWaalsContact C-N 3.35Å; N65-W67 VanDerWaalsContact C-N 3.32Å; N65-W67 PolarHBondContact O-N 3.29Å; N65-R68 PolarHBondContact O-N 3.32Å; N65-K69 PolarHBondContact O-N 3.1Å |
| 66 | D | 85.1 | Confident | 83.6 | Confident | 52 Ų | 52 | 76.1 Ų | 76.1 | 28% | 0.278 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 175.8 | -81.4 | -7.9 | 0 | 0 | 0 | 111 | G62 R68 K69 Y70 Y141 R145 | G62-D66 WeakPolarHBondContact O-CB 3.44Å; G62-D66 PolarHBondContact O-N 3.07Å; D66-R68 PolarHBondContact O-N 3.45Å; D66-K69 PolarHBondContact O-N 3.26Å; D66-Y70 VanDerWaalsContact O-CB 3.28Å; D66-Y70 WeakPolarHBondContact O-CB 3.34Å; D66-Y70 PolarHBondContact O-N 3.28Å; D66-Y141 HydrophobicContact CB-CE1 4.34Å; D66-Y141 PolarHBondContact O-OH 2.94Å; D66-Y141 VanDerWaalsContact O-OH 3.12Å; D66-R145 IonicContact OD1-CZ 2.72Å; D66-R145 IonicContact OD1-NE 3.79Å; D66-R145 PolarHBondContact OD1-NE 3.44Å; D66-R145 IonicContact OD1-NH2 3.79Å; D66-R145 PolarHBondContact OD1-NH2 3.13Å |
| 67 | W | 82.8 | Confident | 83.5 | Confident | 152 Ų | 152 | 79.3 Ų | 79.3 | 58% | 0.576 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.7 | -41.1 | 174.9 | 177.5 | 83.1 | 0 | 0 | 0 | 113 | V63 I64 N65 Y70 K71 | V63-W67 VanDerWaalsContact O-CB 3.3Å; V63-W67 WeakPolarHBondContact O-CB 3.49Å; V63-W67 PolarHBondContact O-N 3.25Å; I64-W67 PolarHBondContact O-N 3.01Å; N65-W67 VanDerWaalsContact C-N 3.32Å; N65-W67 PolarHBondContact O-N 3.29Å; W67-Y70 PolarHBondContact O-N 3.46Å; W67-K71 HydrophobicContact CD2-CG 4.28Å; W67-K71 HydrophobicContact CH2-CG 4.43Å; W67-K71 HydrophobicContact CZ2-CG 3.83Å; W67-K71 PolarHBondContact O-N 2.99Å |
| 68 | R | 83.5 | Confident | 83.5 | Confident | 155 Ų | 155 | 79.7 Ų | 79.7 | 59% | 0.585 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.6 | -46.3 | 175.6 | -75 | 177.4 | -171.5 | 166.1 | 1.6 | 111.4 | I64 N65 D66 Y70 K71 Q72 | I64-R68 WeakPolarHBondContact O-CG 3.14Å; I64-R68 PolarHBondContact O-N 2.69Å; N65-R68 PolarHBondContact O-N 3.32Å; D66-R68 PolarHBondContact O-N 3.45Å; R68-Y70 VanDerWaalsContact C-N 3.34Å; R68-K71 PolarHBondContact O-N 3.11Å; R68-Q72 WeakPolarHBondContact O-CB 3.33Å; R68-Q72 PolarHBondContact O-N 2.94Å |
| 69 | K | 83.4 | Confident | 83.2 | Confident | 60 Ų | 60 | 79.5 Ų | 79.5 | 26% | 0.261 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 175.7 | -109.4 | 177.6 | 178.6 | 168.7 | 0 | 110.9 | D48 N65 D66 Q72 L73 Y141 | D48-K69 IonicContact OD2-NZ 3.74Å; D48-K69 PolarHBondContact OD2-NZ 3.49Å; N65-K69 PolarHBondContact O-N 3.1Å; D66-K69 PolarHBondContact O-N 3.26Å; K69-Q72 PolarHBondContact O-N 3.22Å; K69-L73 WeakPolarHBondContact O-CG 3.41Å; K69-L73 PolarHBondContact O-N 3.25Å; K69-Y141 HydrophobicContact CB-CE2 4.47Å; K69-Y141 WeakPolarHBondContact CB-OH 3.27Å |
| 70 | Y | 83.1 | Confident | 82.9 | Confident | 22 Ų | 22 | 82.9 Ų | 82.9 | 9% | 0.086 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.7 | -52.3 | 175.7 | 172.1 | -92.8 | 0 | 0 | 0 | 112 | D66 W67 R68 Q72 L73 E74 F137 L138 Y141 | D66-Y70 VanDerWaalsContact O-CB 3.28Å; D66-Y70 WeakPolarHBondContact O-CB 3.34Å; D66-Y70 PolarHBondContact O-N 3.28Å; W67-Y70 PolarHBondContact O-N 3.46Å; R68-Y70 VanDerWaalsContact C-N 3.34Å; Y70-Q72 VanDerWaalsContact C-N 3.31Å; Y70-Q72 PolarHBondContact O-N 3.21Å; Y70-L73 PolarHBondContact O-N 2.96Å; Y70-E74 PolarHBondContact O-N 2.91Å; Y70-F137 AromaticContact CD2-CD1 3.97Å; Y70-F137 HydrophobicContact CD2-CD1 3.97Å; Y70-F137 AromaticContact CD2-CE1 3.6Å; Y70-F137 HydrophobicContact CD2-CE1 3.6Å; Y70-F137 HydrophobicContact CE1-CD1 4.5Å; Y70-F137 HydrophobicContact CE1-CE1 4.4Å; Y70-F137 AromaticContact CE2-CD1 3.14Å; Y70-F137 HydrophobicContact CE2-CD1 3.14Å; Y70-F137 AromaticContact CE2-CE1 3.25Å; Y70-F137 HydrophobicContact CE2-CE1 3.25Å; Y70-F137 HydrophobicContact CE2-CG 4.34Å; Y70-F137 HydrophobicContact CG-CE1 4.34Å; Y70-F137 AromaticContact CZ-CD1 3.47Å; Y70-F137 VanDerWaalsContact CZ-CD1 3.47Å; Y70-F137 AromaticContact CZ-CE1 3.7Å; Y70-F137 WeakPolarHBondContact OH-CD1 3.39Å; Y70-L138 HydrophobicContact CD2-CD1 3.91Å; Y70-L138 HydrophobicContact CE2-CB 4.15Å; Y70-L138 HydrophobicContact CE2-CD1 3.53Å; Y70-L138 HydrophobicContact CE2-CG 4.47Å; Y70-Y141 AromaticContact CD2-CD1 3.97Å; Y70-Y141 HydrophobicContact CD2-CD1 3.97Å; Y70-Y141 HydrophobicContact CD2-CD2 4.38Å; Y70-Y141 AromaticContact CD2-CG 3.84Å; Y70-Y141 HydrophobicContact CD2-CG 3.84Å |
| 71 | K | 82.6 | Confident | 82.5 | Confident | 75 Ų | 75 | 83.1 Ų | 83.1 | 33% | 0.326 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.8 | -34.1 | 179.7 | -77.9 | -56.7 | -175 | -174.4 | 0 | 113.1 | W67 R68 E74 V75 | W67-K71 HydrophobicContact CD2-CG 4.28Å; W67-K71 HydrophobicContact CH2-CG 4.43Å; W67-K71 HydrophobicContact CZ2-CG 3.83Å; W67-K71 PolarHBondContact O-N 2.99Å; R68-K71 PolarHBondContact O-N 3.11Å; K71-E74 WeakPolarHBondContact CD-OE2 3.22Å; K71-E74 WeakPolarHBondContact CE-OE2 3.3Å; K71-E74 IonicContact NZ-OE1 3.89Å; K71-E74 IonicContact NZ-OE2 2.67Å; K71-E74 PolarHBondContact NZ-OE2 3.36Å; K71-V75 VanDerWaalsContact O-CG2 3.31Å; K71-V75 WeakPolarHBondContact O-CG2 3.36Å; K71-V75 PolarHBondContact O-N 2.89Å; K71-V75 VanDerWaalsContact O-N 3.12Å |
| 72 | Q | 82.8 | Confident | 82.1 | Confident | 136 Ų | 136 | 85.3 Ų | 85.3 | 64% | 0.636 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -64.5 | -46.1 | 174.9 | -173.1 | 173.2 | 3.5 | 0 | 0 | 111.6 | R68 K69 Y70 V75 E76 | R68-Q72 WeakPolarHBondContact O-CB 3.33Å; R68-Q72 PolarHBondContact O-N 2.94Å; K69-Q72 PolarHBondContact O-N 3.22Å; Y70-Q72 VanDerWaalsContact C-N 3.31Å; Y70-Q72 PolarHBondContact O-N 3.21Å; Q72-V75 PolarHBondContact O-N 3.47Å; Q72-E76 WeakPolarHBondContact O-CB 3.33Å; Q72-E76 PolarHBondContact O-N 3.5Å |
| 73 | L | 82.1 | Confident | 81.8 | Confident | 58 Ų | 58 | 90.5 Ų | 90.5 | 30% | 0.304 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 177.1 | -74 | 168.4 | 0 | 0 | 0 | 112.2 | K69 Y70 V75 E76 Q77 F137 Y141 | K69-L73 WeakPolarHBondContact O-CG 3.41Å; K69-L73 PolarHBondContact O-N 3.25Å; Y70-L73 PolarHBondContact O-N 2.96Å; L73-V75 VanDerWaalsContact C-N 3.35Å; L73-V75 PolarHBondContact O-N 2.91Å; L73-E76 PolarHBondContact O-N 3.17Å; L73-Q77 WeakPolarHBondContact O-CB 3.43Å; L73-Q77 PolarHBondContact O-N 2.87Å; L73-F137 HydrophobicContact CB-CZ 4.03Å; L73-Y141 HydrophobicContact CD1-CD2 3.82Å; L73-Y141 HydrophobicContact CD1-CE2 3.7Å |
| 74 | E | 81.7 | Confident | 81.5 | Confident | 18 Ų | 18 | 92 Ų | 92 | 8% | 0.084 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 177.3 | -165.6 | -159.5 | 147.4 | 0 | 0 | 111.2 | Y70 K71 K78 F137 | Y70-E74 PolarHBondContact O-N 2.91Å; K71-E74 WeakPolarHBondContact CD-OE2 3.22Å; K71-E74 WeakPolarHBondContact CE-OE2 3.3Å; K71-E74 IonicContact NZ-OE1 3.89Å; K71-E74 IonicContact NZ-OE2 2.67Å; K71-E74 PolarHBondContact NZ-OE2 3.36Å; E74-K78 WeakPolarHBondContact O-CB 3.09Å; E74-K78 WeakPolarHBondContact O-CG 3.38Å; E74-K78 PolarHBondContact O-N 2.96Å; E74-K78 IonicContact OE1-NZ 2.73Å; E74-K78 PolarHBondContact OE1-NZ 2.93Å; E74-F137 HydrophobicContact CB-CE1 3.83Å; E74-F137 HydrophobicContact CB-CZ 4.15Å; E74-F137 HydrophobicContact CG-CE1 4.19Å |
| 75 | V | 81.8 | Confident | 81 | Confident | 78 Ų | 78 | 93 Ų | 93 | 47% | 0.473 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 177.9 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | K71 Q72 L73 K78 Q79 | K71-V75 VanDerWaalsContact O-CG2 3.31Å; K71-V75 WeakPolarHBondContact O-CG2 3.36Å; K71-V75 PolarHBondContact O-N 2.89Å; K71-V75 VanDerWaalsContact O-N 3.12Å; Q72-V75 PolarHBondContact O-N 3.47Å; L73-V75 VanDerWaalsContact C-N 3.35Å; L73-V75 PolarHBondContact O-N 2.91Å; V75-K78 PolarHBondContact O-N 3.23Å; V75-Q79 HydrophobicContact CG1-CG 4.49Å; V75-Q79 WeakPolarHBondContact O-CB 3.35Å; V75-Q79 VanDerWaalsContact O-CG 3.3Å; V75-Q79 WeakPolarHBondContact O-CG 3.49Å; V75-Q79 PolarHBondContact O-N 3.21Å |
| 76 | E | 83 | Confident | 80.6 | Confident | 101 Ų | 101 | 97.7 Ų | 97.7 | 47% | 0.472 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 178.1 | -174.9 | 169.1 | -156 | 0 | 0 | 111.1 | Q72 L73 K78 Q79 E80 | Q72-E76 WeakPolarHBondContact O-CB 3.33Å; Q72-E76 PolarHBondContact O-N 3.5Å; L73-E76 PolarHBondContact O-N 3.17Å; E76-K78 PolarHBondContact O-N 3.13Å; E76-Q79 WeakPolarHBondContact O-CB 3.5Å; E76-Q79 PolarHBondContact O-N 3.48Å; E76-Q79 VanDerWaalsContact O-N 3.11Å; E76-E80 WeakPolarHBondContact O-CG 3.46Å; E76-E80 PolarHBondContact O-N 3.39Å |
| 77 | Q | 79.4 | Confident | 80.4 | Confident | 79 Ų | 79 | 104.1 Ų | 104.1 | 37% | 0.369 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 179.1 | -161 | 179.7 | 64.4 | 0 | 0 | 111.7 | L73 Q79 E80 Q81 | L73-Q77 WeakPolarHBondContact O-CB 3.43Å; L73-Q77 PolarHBondContact O-N 2.87Å; Q77-Q79 VanDerWaalsContact C-N 3.29Å; Q77-Q79 PolarHBondContact O-N 3.06Å; Q77-E80 PolarHBondContact O-N 3.39Å; Q77-Q81 WeakPolarHBondContact O-CG 3.35Å; Q77-Q81 PolarHBondContact O-N 3.47Å |
| 78 | K | 79.3 | Confident | 80.2 | Confident | 82 Ų | 82 | 101.4 Ų | 101.4 | 36% | 0.357 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.1 | -36.8 | 173.2 | -77.6 | 177.3 | 176.1 | 169.9 | 0 | 111.9 | E74 V75 E76 K82 | E74-K78 WeakPolarHBondContact O-CB 3.09Å; E74-K78 WeakPolarHBondContact O-CG 3.38Å; E74-K78 PolarHBondContact O-N 2.96Å; E74-K78 IonicContact OE1-NZ 2.73Å; E74-K78 PolarHBondContact OE1-NZ 2.93Å; V75-K78 PolarHBondContact O-N 3.23Å; E76-K78 PolarHBondContact O-N 3.13Å; K78-K82 WeakPolarHBondContact O-CG 3.39Å; K78-K82 PolarHBondContact O-N 3.19Å; K78-K82 VanDerWaalsContact O-N 3.16Å |
| 79 | Q | 79 | Confident | 80 | Confident | 103 Ų | 103 | 98.8 Ų | 98.8 | 48% | 0.481 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.7 | -39.7 | 175.1 | -75.7 | -178.5 | 13 | 0 | 0 | 112.5 | V75 E76 Q77 K82 K83 | V75-Q79 HydrophobicContact CG1-CG 4.49Å; V75-Q79 WeakPolarHBondContact O-CB 3.35Å; V75-Q79 VanDerWaalsContact O-CG 3.3Å; V75-Q79 WeakPolarHBondContact O-CG 3.49Å; V75-Q79 PolarHBondContact O-N 3.21Å; E76-Q79 WeakPolarHBondContact O-CB 3.5Å; E76-Q79 PolarHBondContact O-N 3.48Å; E76-Q79 VanDerWaalsContact O-N 3.11Å; Q77-Q79 VanDerWaalsContact C-N 3.29Å; Q77-Q79 PolarHBondContact O-N 3.06Å; Q79-K82 PolarHBondContact O-N 3.34Å; Q79-K83 WeakPolarHBondContact O-CG 3.37Å; Q79-K83 PolarHBondContact O-N 2.93Å |
| 80 | E | 81.4 | Confident | 79.8 | Confident | 118 Ų | 118 | 102.6 Ų | 102.6 | 55% | 0.551 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.7 | -46.6 | 176.3 | -74.2 | -170.1 | 150.9 | 0 | 0 | 111.7 | E76 Q77 K82 K83 E84 | E76-E80 WeakPolarHBondContact O-CG 3.46Å; E76-E80 PolarHBondContact O-N 3.39Å; Q77-E80 PolarHBondContact O-N 3.39Å; E80-K82 VanDerWaalsContact C-N 3.31Å; E80-K82 PolarHBondContact O-N 2.91Å; E80-K83 PolarHBondContact O-N 3.4Å; E80-K83 VanDerWaalsContact O-N 3.15Å; E80-E84 PolarHBondContact O-N 3.39Å |
| 81 | Q | 76.6 | Confident | 79.5 | Confident | 115 Ų | 115 | 109.9 Ų | 109.9 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.9 | -41.8 | 175.5 | -71.3 | 178 | 1.5 | 0 | 0 | 112 | Q77 E84 M85 | Q77-Q81 WeakPolarHBondContact O-CG 3.35Å; Q77-Q81 PolarHBondContact O-N 3.47Å; Q81-E84 PolarHBondContact O-N 2.92Å; Q81-M85 WeakPolarHBondContact O-CB 3.18Å; Q81-M85 PolarHBondContact O-N 3.4Å |
| 82 | K | 76.5 | Confident | 79.2 | Confident | 158 Ų | 158 | 112.4 Ų | 112.4 | 69% | 0.687 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.4 | -45 | 174.8 | -76.6 | 178.2 | -177.2 | -178.1 | 0 | 112 | K78 Q79 E80 E84 M85 E86 | K78-K82 WeakPolarHBondContact O-CG 3.39Å; K78-K82 PolarHBondContact O-N 3.19Å; K78-K82 VanDerWaalsContact O-N 3.16Å; Q79-K82 PolarHBondContact O-N 3.34Å; E80-K82 VanDerWaalsContact C-N 3.31Å; E80-K82 PolarHBondContact O-N 2.91Å; K82-E84 VanDerWaalsContact C-N 3.32Å; K82-E84 PolarHBondContact O-N 3Å; K82-M85 PolarHBondContact O-N 2.85Å; K82-E86 WeakPolarHBondContact O-CB 3.44Å; K82-E86 PolarHBondContact O-N 3.16Å |
| 83 | K | 80.4 | Confident | 78.7 | Confident | 113 Ų | 113 | 109.8 Ų | 109.8 | 49% | 0.491 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -38.2 | 176.5 | -75.7 | 173.8 | -177.2 | 167.7 | 0 | 111.7 | Q79 E80 R87 | Q79-K83 WeakPolarHBondContact O-CG 3.37Å; Q79-K83 PolarHBondContact O-N 2.93Å; E80-K83 PolarHBondContact O-N 3.4Å; E80-K83 VanDerWaalsContact O-N 3.15Å; K83-R87 VanDerWaalsContact O-CG 3.3Å; K83-R87 WeakPolarHBondContact O-CG 3.43Å; K83-R87 PolarHBondContact O-N 3.23Å |
| 84 | E | 80.3 | Confident | 77.6 | Confident | 137 Ų | 137 | 113.8 Ų | 113.8 | 64% | 0.64 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.4 | -46.4 | 177.2 | -168.7 | -179.9 | -175.3 | 0 | 0 | 111.5 | E80 Q81 K82 E86 R87 L88 | E80-E84 PolarHBondContact O-N 3.39Å; Q81-E84 PolarHBondContact O-N 2.92Å; K82-E84 VanDerWaalsContact C-N 3.32Å; K82-E84 PolarHBondContact O-N 3Å; E84-E86 VanDerWaalsContact C-N 3.34Å; E84-E86 PolarHBondContact O-N 3.47Å; E84-R87 WeakPolarHBondContact O-CB 3.48Å; E84-R87 PolarHBondContact O-N 3.04Å; E84-L88 PolarHBondContact O-N 3.26Å |
| 85 | M | 73.1 | Confident | 76.2 | Confident | 106 Ų | 106 | 118.6 Ų | 118.6 | 52% | 0.522 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.9 | -44.7 | 175 | -178.5 | 65.1 | 80.2 | 0 | 0 | 111.5 | Q81 K82 R87 L88 I89 | Q81-M85 WeakPolarHBondContact O-CB 3.18Å; Q81-M85 PolarHBondContact O-N 3.4Å; K82-M85 PolarHBondContact O-N 2.85Å; M85-R87 PolarHBondContact O-N 3.43Å; M85-L88 WeakPolarHBondContact O-CB 3.37Å; M85-L88 PolarHBondContact O-N 3.22Å; M85-L88 VanDerWaalsContact O-N 3.16Å; M85-I89 HydrophobicContact CG-CD1 4Å; M85-I89 WeakPolarHBondContact O-CG1 3.42Å; M85-I89 PolarHBondContact O-N 2.93Å; M85-I89 HydrophobicContact SD-CD1 4.43Å; M85-I89 HydrophobicContact SD-CG1 4.5Å |
| 86 | E | 74.5 | Confident | 74.4 | Confident | 134 Ų | 134 | 120.9 Ų | 120.9 | 63% | 0.626 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.2 | -43.8 | 177.1 | -171.4 | -173.7 | 171.3 | 0 | 0 | 111.7 | K82 E84 L88 I89 K90 | K82-E86 WeakPolarHBondContact O-CB 3.44Å; K82-E86 PolarHBondContact O-N 3.16Å; E84-E86 VanDerWaalsContact C-N 3.34Å; E84-E86 PolarHBondContact O-N 3.47Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.35Å; E86-I89 PolarHBondContact O-N 2.92Å; E86-K90 WeakPolarHBondContact O-CB 3.38Å; E86-K90 PolarHBondContact O-N 2.7Å |
| 87 | R | 82.1 | Confident | 72.7 | Confident | 186 Ų | 186 | 125.5 Ų | 125.5 | 70% | 0.702 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.9 | -40.4 | 174.2 | -76.1 | 173.9 | -178.9 | 166.3 | 1.2 | 111.6 | K83 E84 M85 K90 K91 | K83-R87 VanDerWaalsContact O-CG 3.3Å; K83-R87 WeakPolarHBondContact O-CG 3.43Å; K83-R87 PolarHBondContact O-N 3.23Å; E84-R87 WeakPolarHBondContact O-CB 3.48Å; E84-R87 PolarHBondContact O-N 3.04Å; M85-R87 PolarHBondContact O-N 3.43Å; R87-K90 PolarHBondContact O-N 2.94Å; R87-K91 WeakPolarHBondContact O-CB 3.37Å; R87-K91 PolarHBondContact O-N 3.15Å |
| 88 | L | 76.9 | Confident | 71.4 | Confident | 95 Ų | 95 | 126.1 Ų | 126.1 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.4 | -46 | 178.5 | -173.5 | 64.3 | 0 | 0 | 0 | 111.6 | E84 M85 E86 K90 K91 L92 | E84-L88 PolarHBondContact O-N 3.26Å; M85-L88 WeakPolarHBondContact O-CB 3.37Å; M85-L88 PolarHBondContact O-N 3.22Å; M85-L88 VanDerWaalsContact O-N 3.16Å; E86-L88 VanDerWaalsContact C-N 3.29Å; E86-L88 PolarHBondContact O-N 3.35Å; L88-K90 VanDerWaalsContact C-N 3.35Å; L88-K90 PolarHBondContact O-N 3.15Å; L88-K91 PolarHBondContact O-N 3.41Å; L88-L92 HydrophobicContact CD1-CD1 4.34Å; L88-L92 HydrophobicContact CG-CD1 3.97Å; L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.29Å; L88-L92 PolarHBondContact O-N 2.91Å |
| 89 | I | 80 | Confident | 70.1 | Confident | 101 Ų | 101 | 128.9 Ų | 128.9 | 52% | 0.518 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -58.7 | -47.5 | 175.5 | -68.1 | 166.5 | 0 | 0 | 0 | 110.2 | M85 E86 K91 L92 S93 | M85-I89 HydrophobicContact CG-CD1 4Å; M85-I89 WeakPolarHBondContact O-CG1 3.42Å; M85-I89 PolarHBondContact O-N 2.93Å; M85-I89 HydrophobicContact SD-CD1 4.43Å; M85-I89 HydrophobicContact SD-CG1 4.5Å; E86-I89 PolarHBondContact O-N 2.92Å; I89-K91 VanDerWaalsContact C-N 3.3Å; I89-K91 PolarHBondContact O-N 3.36Å; I89-L92 PolarHBondContact O-N 2.73Å; I89-S93 WeakPolarHBondContact O-CB 3.4Å; I89-S93 PolarHBondContact O-N 3.16Å; I89-S93 PolarHBondContact O-OG 3.45Å |
| 90 | K | 79 | Confident | 68.6 | Low | 140 Ų | 140 | 132.1 Ų | 132.1 | 61% | 0.609 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -60.5 | -39.6 | 178 | -174.8 | 174.1 | -178 | 174.5 | 0 | 112 | E86 R87 L88 S93 M94 | E86-K90 WeakPolarHBondContact O-CB 3.38Å; E86-K90 PolarHBondContact O-N 2.7Å; R87-K90 PolarHBondContact O-N 2.94Å; L88-K90 VanDerWaalsContact C-N 3.35Å; L88-K90 PolarHBondContact O-N 3.15Å; K90-S93 PolarHBondContact O-OG 3.23Å; K90-M94 WeakPolarHBondContact O-CG 3.47Å |
| 91 | K | 77.3 | Confident | 67.2 | Low | 175 Ų | 175 | 129.3 Ų | 129.3 | 76% | 0.761 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.3 | -37.1 | 176.6 | -167.9 | 175.6 | -177.1 | -179.6 | 0 | 112.1 | R87 L88 I89 | R87-K91 WeakPolarHBondContact O-CB 3.37Å; R87-K91 PolarHBondContact O-N 3.15Å; L88-K91 PolarHBondContact O-N 3.41Å; I89-K91 VanDerWaalsContact C-N 3.3Å; I89-K91 PolarHBondContact O-N 3.36Å |
| 92 | L | 75.9 | Confident | 66 | Low | 127 Ų | 127 | 128.9 Ų | 128.9 | 67% | 0.665 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -75.6 | -29 | 178 | -72.5 | 163.2 | 0 | 0 | 0 | 113 | L88 I89 | L88-L92 HydrophobicContact CD1-CD1 4.34Å; L88-L92 HydrophobicContact CG-CD1 3.97Å; L88-L92 WeakPolarHBondContact O-CB 3.26Å; L88-L92 WeakPolarHBondContact O-CG 3.29Å; L88-L92 PolarHBondContact O-N 2.91Å; I89-L92 PolarHBondContact O-N 2.73Å |
| 93 | S | 71.8 | Confident | 64.8 | Low | 81 Ų | 81 | 130.6 Ų | 130.6 | 57% | 0.566 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -82.2 | -12.4 | -177.9 | 71.4 | 0 | 0 | 0 | 0 | 114.5 | I89 K90 T95 | I89-S93 WeakPolarHBondContact O-CB 3.4Å; I89-S93 PolarHBondContact O-N 3.16Å; I89-S93 PolarHBondContact O-OG 3.45Å; K90-S93 PolarHBondContact O-OG 3.23Å; S93-T95 PolarHBondContact O-N 2.99Å; S93-T95 VanDerWaalsContact O-N 3.1Å |
| 94 | M | 59.8 | Low | 63.6 | Low | 143 Ų | 143 | 132.9 Ų | 132.9 | 70% | 0.704 | 66% | 0.659 | S | S | * | * | trans | -80.9 | 29.4 | -177.8 | -77.5 | -146.8 | 71.2 | 0 | 0 | 115.6 | K90 | K90-M94 WeakPolarHBondContact O-CG 3.47Š| ||
| 95 | T | 52.4 | Low | 62.3 | Low | 119 Ų | 119 | 128.8 Ų | 128.8 | 73% | 0.73 | 64% | 0.641 | S | S | * | * | trans | -88.9 | 114.4 | 167.4 | 47.4 | 0 | 0 | 0 | 0 | 110.9 | S93 | S93-T95 PolarHBondContact O-N 2.99Å; S93-T95 VanDerWaalsContact O-N 3.1Å | ||
| 96 | C | 43.2 | Very low | 61.7 | Low | 125 Ų | 125 | 131.1 Ų | 131.1 | 85% | 0.845 | 65% | 0.648 | S | S | * | * | trans | -64 | 135.3 | -172.5 | -49.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 97 | R | 47.6 | Very low | 61 | Low | 199 Ų | 199 | 131.5 Ų | 131.5 | 75% | 0.751 | 65% | 0.65 | S | S | * | * | trans | -145.1 | 150.2 | 166.5 | -74.5 | -162.6 | 162.5 | -177 | -4.9 | 113.1 | ||||
| 98 | S | 51.9 | Low | 59.9 | Low | 92 Ų | 92 | 128.5 Ų | 128.5 | 64% | 0.643 | 64% | 0.644 | S | S | * | * | trans | -104.5 | 158.9 | -171.5 | 53.3 | 0 | 0 | 0 | 0 | 113.6 | L100 | S98-L100 PolarHBondContact O-N 3.38Š| ||
| 99 | D | 51.5 | Low | 58.9 | Low | 139 Ų | 139 | 129.7 Ų | 129.7 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -4.9 | -165 | -76.7 | -57.7 | 0 | 0 | 0 | 119.6 | L102 | D99-L102 WeakPolarHBondContact O-CD1 3.16Š|
| 100 | L | 47.8 | Very low | 58.2 | Low | 171 Ų | 171 | 131.6 Ų | 131.6 | 90% | 0.895 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -9.5 | -177 | -79.5 | 159.7 | 0 | 0 | 0 | 114.4 | S98 | S98-L100 PolarHBondContact O-N 3.38Š|
| 101 | D | 51.8 | Low | 57.7 | Low | 59 Ų | 59 | 131.9 Ų | 131.9 | 32% | 0.316 | 65% | 0.653 | S | S | . | * | trans | -88.8 | -10 | -177.2 | -76.5 | -31.9 | 0 | 0 | 0 | 115 | K103 K104 D105 | D101-K103 PolarHBondContact O-N 3.41Å; D101-K104 PolarHBondContact O-N 2.86Å; D101-D105 WeakPolarHBondContact CB-OD2 3.44Å; D101-D105 PolarHBondContact O-N 2.86Å | ||
| 102 | L | 53.3 | Low | 56.8 | Low | 107 Ų | 107 | 128.2 Ų | 128.2 | 56% | 0.56 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -52 | -25 | -168.8 | -68.1 | 168.7 | 0 | 0 | 0 | 117.1 | D99 D105 K106 | D99-L102 WeakPolarHBondContact O-CD1 3.16Å; L102-D105 PolarHBondContact N-OD2 3.05Å; L102-K106 PolarHBondContact O-N 3.44Å |
| 103 | K | 50.6 | Low | 55.9 | Low | 194 Ų | 194 | 128.4 Ų | 128.4 | 84% | 0.843 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -89.7 | -34.8 | 179.4 | -77.8 | -177.4 | -179.8 | 172.6 | 0 | 113.7 | D101 D105 | D101-K103 PolarHBondContact O-N 3.41Å; K103-D105 VanDerWaalsContact C-N 3.26Å |
| 104 | K | 55 | Low | 55.6 | Low | 160 Ų | 160 | 129.4 Ų | 129.4 | 70% | 0.696 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70 | -33.9 | 167.3 | -90.4 | 179.4 | 173.7 | 175.6 | 0 | 109.8 | D101 K106 E107 E108 | D101-K104 PolarHBondContact O-N 2.86Å; K104-K106 VanDerWaalsContact C-N 3.35Å; K104-K106 PolarHBondContact O-N 3.15Å; K104-E107 PolarHBondContact O-N 3.48Å; K104-E107 VanDerWaalsContact O-N 3.17Å; K104-E108 PolarHBondContact O-N 2.9Å |
| 105 | D | 53.7 | Low | 56 | Low | 51 Ų | 51 | 129.7 Ų | 129.7 | 27% | 0.273 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.3 | -33.1 | 178.3 | -66.5 | -20.9 | 0 | 0 | 0 | 113.3 | D101 L102 K103 E107 E108 E109 | D101-D105 WeakPolarHBondContact CB-OD2 3.44Å; D101-D105 PolarHBondContact O-N 2.86Å; L102-D105 PolarHBondContact N-OD2 3.05Å; K103-D105 VanDerWaalsContact C-N 3.26Å; D105-E107 VanDerWaalsContact C-N 3.28Å; D105-E107 PolarHBondContact O-N 3.17Å; D105-E108 CarbonylContact O-C 3.5Å; D105-E108 PolarHBondContact O-N 3.38Å; D105-E109 WeakPolarHBondContact O-CA 3.43Å; D105-E109 WeakPolarHBondContact O-CB 3.32Å; D105-E109 PolarHBondContact O-N 3.15Å |
| 106 | K | 58.8 | Low | 56.4 | Low | 155 Ų | 155 | 128.6 Ų | 128.6 | 67% | 0.674 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.9 | -34.9 | 174.3 | -94.7 | -177.4 | 176.4 | 177.9 | 0 | 113.4 | L102 K104 K110 | L102-K106 PolarHBondContact O-N 3.44Å; K104-K106 VanDerWaalsContact C-N 3.35Å; K104-K106 PolarHBondContact O-N 3.15Å; K106-K110 PolarHBondContact O-N 2.67Å |
| 107 | E | 59.7 | Low | 57.1 | Low | 142 Ų | 142 | 129.6 Ų | 129.6 | 66% | 0.664 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -81.8 | -33.7 | -179.4 | -155.5 | 164.7 | -151.9 | 0 | 0 | 110.9 | K104 D105 K111 | K104-E107 PolarHBondContact O-N 3.48Å; K104-E107 VanDerWaalsContact O-N 3.17Å; D105-E107 VanDerWaalsContact C-N 3.28Å; D105-E107 PolarHBondContact O-N 3.17Å; E107-K111 PolarHBondContact O-N 3.02Å |
| 108 | E | 60.3 | Low | 57.8 | Low | 123 Ų | 123 | 123.7 Ų | 123.7 | 58% | 0.575 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.7 | -32.9 | 167.8 | -67.1 | -150.5 | 161.5 | 0 | 0 | 113 | K104 D105 K110 K111 L112 | K104-E108 PolarHBondContact O-N 2.9Å; D105-E108 CarbonylContact O-C 3.5Å; D105-E108 PolarHBondContact O-N 3.38Å; E108-K110 VanDerWaalsContact C-N 3.29Å; E108-K110 PolarHBondContact O-N 3.3Å; E108-K111 CarbonylContact O-C 3.38Å; E108-K111 PolarHBondContact O-N 3.34Å; E108-L112 WeakPolarHBondContact O-CA 3.35Å; E108-L112 WeakPolarHBondContact O-CB 3.4Å; E108-L112 PolarHBondContact O-N 2.94Å |
| 109 | E | 55.8 | Low | 58.1 | Low | 120 Ų | 120 | 126.3 Ų | 126.3 | 56% | 0.561 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.4 | -38.8 | 174.1 | -109.6 | -176.3 | 151.1 | 0 | 0 | 110.6 | D105 L112 Q113 | D105-E109 WeakPolarHBondContact O-CA 3.43Å; D105-E109 WeakPolarHBondContact O-CB 3.32Å; D105-E109 PolarHBondContact O-N 3.15Å; E109-L112 CarbonylContact O-C 3.59Å; E109-L112 PolarHBondContact O-N 3.48Å; E109-Q113 WeakPolarHBondContact O-CB 3.49Å; E109-Q113 PolarHBondContact O-N 3.43Å |
| 110 | K | 65.1 | Low | 58.3 | Low | 142 Ų | 142 | 124.4 Ų | 124.4 | 62% | 0.617 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.6 | -43.8 | 176.7 | -143.9 | 180 | -175.5 | -172.4 | 0 | 110.8 | K106 E108 L112 Q113 D114 | K106-K110 PolarHBondContact O-N 2.67Å; E108-K110 VanDerWaalsContact C-N 3.29Å; E108-K110 PolarHBondContact O-N 3.3Å; K110-L112 VanDerWaalsContact C-N 3.27Å; K110-L112 PolarHBondContact O-N 3.18Å; K110-Q113 WeakPolarHBondContact O-CB 3.3Å; K110-Q113 PolarHBondContact O-N 2.86Å; K110-D114 PolarHBondContact O-N 3.4Å |
| 111 | K | 68.1 | Low | 58.7 | Low | 145 Ų | 145 | 119.6 Ų | 119.6 | 63% | 0.63 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.6 | -32 | 171.7 | -73 | 179.5 | 180 | 173.4 | 0 | 112.5 | E107 E108 K115 | E107-K111 PolarHBondContact O-N 3.02Å; E108-K111 CarbonylContact O-C 3.38Å; E108-K111 PolarHBondContact O-N 3.34Å; K111-K115 WeakPolarHBondContact O-CB 3.34Å; K111-K115 PolarHBondContact O-N 2.83Å |
| 112 | L | 59 | Low | 58.9 | Low | 98 Ų | 98 | 122.5 Ų | 122.5 | 51% | 0.513 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -75.1 | -39.6 | 177.2 | -167 | 71.5 | 0 | 0 | 0 | 110.3 | E108 E109 K110 D114 K115 I116 | E108-L112 WeakPolarHBondContact O-CA 3.35Å; E108-L112 WeakPolarHBondContact O-CB 3.4Å; E108-L112 PolarHBondContact O-N 2.94Å; E109-L112 CarbonylContact O-C 3.59Å; E109-L112 PolarHBondContact O-N 3.48Å; K110-L112 VanDerWaalsContact C-N 3.27Å; K110-L112 PolarHBondContact O-N 3.18Å; L112-D114 VanDerWaalsContact C-N 3.34Å; L112-K115 CarbonylContact O-C 3.53Å; L112-K115 PolarHBondContact O-N 3.01Å; L112-I116 HydrophobicContact CD2-CD1 4.47Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 WeakPolarHBondContact O-CB 3.27Å; L112-I116 WeakPolarHBondContact O-CD1 3.45Å; L112-I116 WeakPolarHBondContact O-CG1 3.39Å; L112-I116 PolarHBondContact O-N 3.46Å |
| 113 | Q | 57.1 | Low | 59.1 | Low | 132 Ų | 132 | 123.1 Ų | 123.1 | 62% | 0.617 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -59.7 | -44.4 | 169.9 | -95.3 | -170.9 | -13.9 | 0 | 0 | 110.7 | E109 K110 K115 I116 K117 | E109-Q113 WeakPolarHBondContact O-CB 3.49Å; E109-Q113 PolarHBondContact O-N 3.43Å; K110-Q113 WeakPolarHBondContact O-CB 3.3Å; K110-Q113 PolarHBondContact O-N 2.86Å; Q113-K115 VanDerWaalsContact C-N 3.35Å; Q113-I116 PolarHBondContact O-N 2.89Å; Q113-K117 VanDerWaalsContact O-CB 3.22Å; Q113-K117 WeakPolarHBondContact O-CB 3.17Å; Q113-K117 PolarHBondContact O-N 3.24Å |
| 114 | D | 65.7 | Low | 59.2 | Low | 102 Ų | 102 | 118.4 Ų | 118.4 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.1 | -38 | 176.3 | -70.7 | -26 | 0 | 0 | 0 | 111.5 | K110 L112 S118 | K110-D114 PolarHBondContact O-N 3.4Å; L112-D114 VanDerWaalsContact C-N 3.34Å; D114-S118 VanDerWaalsContact O-CB 3.25Å; D114-S118 WeakPolarHBondContact O-CB 3.3Å; D114-S118 PolarHBondContact O-N 2.97Å |
| 115 | K | 67.4 | Low | 58.9 | Low | 148 Ų | 148 | 119.1 Ų | 119.1 | 64% | 0.643 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.9 | -38.6 | 171 | -99.2 | 178.9 | 177.4 | 175.4 | 0 | 113.2 | K111 L112 Q113 S118 K119 | K111-K115 WeakPolarHBondContact O-CB 3.34Å; K111-K115 PolarHBondContact O-N 2.83Å; L112-K115 CarbonylContact O-C 3.53Å; L112-K115 PolarHBondContact O-N 3.01Å; Q113-K115 VanDerWaalsContact C-N 3.35Å; K115-S118 PolarHBondContact O-N 3.33Å; K115-K119 WeakPolarHBondContact O-CB 3.45Å; K115-K119 WeakPolarHBondContact O-CG 3.43Å; K115-K119 PolarHBondContact O-N 3.47Å |
| 116 | I | 60.3 | Low | 58.9 | Low | 97 Ų | 97 | 120.7 Ų | 120.7 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.6 | -45.2 | 176.5 | -73.7 | 162.9 | 0 | 0 | 0 | 108.7 | L112 Q113 S118 K119 M120 | L112-I116 HydrophobicContact CD2-CD1 4.47Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 WeakPolarHBondContact O-CB 3.27Å; L112-I116 WeakPolarHBondContact O-CD1 3.45Å; L112-I116 WeakPolarHBondContact O-CG1 3.39Å; L112-I116 PolarHBondContact O-N 3.46Å; Q113-I116 PolarHBondContact O-N 2.89Å; I116-S118 VanDerWaalsContact C-N 3.32Å; I116-S118 PolarHBondContact O-N 2.97Å; I116-K119 CarbonylContact O-C 3.58Å; I116-K119 PolarHBondContact O-N 3.38Å; I116-K119 VanDerWaalsContact O-N 3.13Å; I116-M120 WeakPolarHBondContact O-CB 3.47Å; I116-M120 PolarHBondContact O-N 3.11Å |
| 117 | K | 58 | Low | 58.5 | Low | 146 Ų | 146 | 118 Ų | 118 | 64% | 0.635 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.5 | -38.2 | 176.3 | -159.4 | 177 | -173.9 | -177 | 0 | 111.6 | Q113 M120 T121 | Q113-K117 VanDerWaalsContact O-CB 3.22Å; Q113-K117 WeakPolarHBondContact O-CB 3.17Å; Q113-K117 PolarHBondContact O-N 3.24Å; K117-M120 WeakPolarHBondContact O-CB 3.36Å; K117-M120 PolarHBondContact O-N 3.38Å; K117-T121 PolarHBondContact O-N 2.79Å; K117-T121 PolarHBondContact O-OG1 2.85Å |
| 118 | S | 62.8 | Low | 57.7 | Low | 75 Ų | 75 | 117.2 Ų | 117.2 | 52% | 0.524 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.1 | -37 | 171.4 | 179.6 | 0 | 0 | 0 | 0 | 112.8 | D114 K115 I116 T121 M122 | D114-S118 VanDerWaalsContact O-CB 3.25Å; D114-S118 WeakPolarHBondContact O-CB 3.3Å; D114-S118 PolarHBondContact O-N 2.97Å; K115-S118 PolarHBondContact O-N 3.33Å; I116-S118 VanDerWaalsContact C-N 3.32Å; I116-S118 PolarHBondContact O-N 2.97Å; S118-T121 WeakPolarHBondContact CA-OG1 3.34Å; S118-T121 PolarHBondContact O-OG1 3.47Å; S118-M122 PolarHBondContact O-N 3.43Å |
| 119 | K | 59.3 | Low | 57.1 | Low | 147 Ų | 147 | 116.1 Ų | 116.1 | 64% | 0.639 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72 | -31.9 | 171.6 | -78 | -173.3 | 174.3 | -169.6 | 0 | 112.6 | K115 I116 M122 Q123 | K115-K119 WeakPolarHBondContact O-CB 3.45Å; K115-K119 WeakPolarHBondContact O-CG 3.43Å; K115-K119 PolarHBondContact O-N 3.47Å; I116-K119 CarbonylContact O-C 3.58Å; I116-K119 PolarHBondContact O-N 3.38Å; I116-K119 VanDerWaalsContact O-N 3.13Å; K119-M122 CarbonylContact O-C 3.55Å; K119-M122 WeakPolarHBondContact O-CB 3.43Å; K119-M122 PolarHBondContact O-N 3.08Å; K119-Q123 PolarHBondContact O-N 2.93Å |
| 120 | M | 54.1 | Low | 56.9 | Low | 99 Ų | 99 | 114.3 Ų | 114.3 | 49% | 0.488 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.7 | -39.1 | 174.8 | -139.7 | -175.1 | 84.6 | 0 | 0 | 110.6 | I116 K117 M122 Q123 E124 | I116-M120 WeakPolarHBondContact O-CB 3.47Å; I116-M120 PolarHBondContact O-N 3.11Å; K117-M120 WeakPolarHBondContact O-CB 3.36Å; K117-M120 PolarHBondContact O-N 3.38Å; M120-M122 VanDerWaalsContact C-N 3.34Å; M120-Q123 CarbonylContact O-C 3.47Å; M120-Q123 WeakPolarHBondContact O-CA 3.47Å; M120-Q123 WeakPolarHBondContact O-CB 3.35Å; M120-Q123 PolarHBondContact O-N 3.26Å; M120-Q123 VanDerWaalsContact O-N 3.11Å; M120-E124 PolarHBondContact O-N 3.09Å |
| 121 | T | 56.8 | Low | 56.3 | Low | 70 Ų | 70 | 113.6 Ų | 113.6 | 43% | 0.429 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69 | -31 | 170.9 | 20.7 | 0 | 0 | 0 | 0 | 112.2 | K117 S118 Q123 E124 Y125 | K117-T121 PolarHBondContact O-N 2.79Å; K117-T121 PolarHBondContact O-OG1 2.85Å; S118-T121 WeakPolarHBondContact CA-OG1 3.34Å; S118-T121 PolarHBondContact O-OG1 3.47Å; T121-Q123 VanDerWaalsContact C-N 3.29Å; T121-E124 VanDerWaalsContact CG2-OE2 3.3Å; T121-E124 WeakPolarHBondContact CG2-OE2 3.45Å; T121-E124 PolarHBondContact O-N 2.89Å; T121-Y125 PolarHBondContact O-N 2.92Å |
| 122 | M | 56.3 | Low | 55.4 | Low | 120 Ų | 120 | 113.6 Ų | 113.6 | 59% | 0.591 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.7 | -32.4 | 168.3 | -150.5 | -177 | 81.4 | 0 | 0 | 111.6 | S118 K119 M120 Y125 N126 | S118-M122 PolarHBondContact O-N 3.43Å; K119-M122 CarbonylContact O-C 3.55Å; K119-M122 WeakPolarHBondContact O-CB 3.43Å; K119-M122 PolarHBondContact O-N 3.08Å; M120-M122 VanDerWaalsContact C-N 3.34Å; M122-Y125 WeakPolarHBondContact O-CB 3.31Å; M122-Y125 PolarHBondContact O-N 2.94Å; M122-N126 PolarHBondContact O-N 3.38Å; M122-N126 PolarHBondContact O-OD1 3.34Å |
| 123 | Q | 56.7 | Low | 55.4 | Low | 120 Ų | 120 | 113.4 Ų | 113.4 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.6 | -37.3 | 172 | -129.5 | 173.2 | -10.7 | 0 | 0 | 111.9 | K119 M120 T121 Y125 N126 M127 | K119-Q123 PolarHBondContact O-N 2.93Å; M120-Q123 CarbonylContact O-C 3.47Å; M120-Q123 WeakPolarHBondContact O-CA 3.47Å; M120-Q123 WeakPolarHBondContact O-CB 3.35Å; M120-Q123 PolarHBondContact O-N 3.26Å; M120-Q123 VanDerWaalsContact O-N 3.11Å; T121-Q123 VanDerWaalsContact C-N 3.29Å; Q123-Y125 VanDerWaalsContact C-N 3.3Å; Q123-N126 WeakPolarHBondContact O-CB 3.34Å; Q123-N126 PolarHBondContact O-N 2.95Å; Q123-M127 PolarHBondContact O-N 3.42Å |
| 124 | E | 53.4 | Low | 56 | Low | 95 Ų | 95 | 110 Ų | 110 | 44% | 0.444 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.3 | -32.6 | 169.8 | -70.5 | 170.3 | 164.2 | 0 | 0 | 112 | M120 T121 M127 L128 | M120-E124 PolarHBondContact O-N 3.09Å; T121-E124 VanDerWaalsContact CG2-OE2 3.3Å; T121-E124 WeakPolarHBondContact CG2-OE2 3.45Å; T121-E124 PolarHBondContact O-N 2.89Å; E124-M127 HydrophobicContact CB-CE 4.26Å; E124-M127 HydrophobicContact CG-CE 3.89Å; E124-M127 WeakPolarHBondContact O-CB 3.28Å; E124-M127 PolarHBondContact O-N 3.41Å; E124-L128 PolarHBondContact O-N 3.5Å |
| 125 | Y | 48.6 | Very low | 56.5 | Low | 175 Ų | 175 | 110.9 Ų | 110.9 | 69% | 0.686 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -69.2 | -34.6 | 170.3 | -118.5 | -91.7 | 0 | 0 | 0 | 112.7 | T121 M122 Q123 M127 L128 | T121-Y125 PolarHBondContact O-N 2.92Å; M122-Y125 WeakPolarHBondContact O-CB 3.31Å; M122-Y125 PolarHBondContact O-N 2.94Å; Q123-Y125 VanDerWaalsContact C-N 3.3Å; Y125-M127 VanDerWaalsContact C-N 3.3Å; Y125-L128 PolarHBondContact O-N 3.26Å |
| 126 | N | 53.4 | Low | 57.2 | Low | 83 Ų | 83 | 108 Ų | 108 | 44% | 0.444 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.3 | -27.8 | 170.2 | -76.7 | 13.1 | 0 | 0 | 0 | 112.2 | M122 Q123 L128 Q129 E130 | M122-N126 PolarHBondContact O-N 3.38Å; M122-N126 PolarHBondContact O-OD1 3.34Å; Q123-N126 WeakPolarHBondContact O-CB 3.34Å; Q123-N126 PolarHBondContact O-N 2.95Å; N126-L128 PolarHBondContact O-N 3.12Å; N126-Q129 WeakPolarHBondContact O-CB 3.39Å; N126-Q129 PolarHBondContact O-N 3.38Å; N126-E130 PolarHBondContact O-N 3.47Å |
| 127 | M | 49.9 | Very low | 58.1 | Low | 99 Ų | 99 | 104.5 Ų | 104.5 | 49% | 0.488 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.3 | -24.4 | 172.8 | -68.2 | -164.1 | -59.6 | 0 | 0 | 112.6 | Q123 E124 Y125 Q129 E130 | Q123-M127 PolarHBondContact O-N 3.42Å; E124-M127 HydrophobicContact CB-CE 4.26Å; E124-M127 HydrophobicContact CG-CE 3.89Å; E124-M127 WeakPolarHBondContact O-CB 3.28Å; E124-M127 PolarHBondContact O-N 3.41Å; Y125-M127 VanDerWaalsContact C-N 3.3Å; M127-Q129 VanDerWaalsContact C-N 3.3Å; M127-E130 HydrophobicContact CB-CG 4.5Å; M127-E130 WeakPolarHBondContact O-CB 3.43Å; M127-E130 WeakPolarHBondContact O-CG 3.44Å; M127-E130 PolarHBondContact O-N 2.92Å |
| 128 | L | 43.9 | Very low | 59.2 | Low | 126 Ų | 126 | 99.8 Ų | 99.8 | 66% | 0.66 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -13.9 | 171 | -70.7 | 165.1 | 0 | 0 | 0 | 113 | E124 Y125 N126 E130 | E124-L128 PolarHBondContact O-N 3.5Å; Y125-L128 PolarHBondContact O-N 3.26Å; N126-L128 PolarHBondContact O-N 3.12Å; L128-E130 VanDerWaalsContact C-N 3.31Å |
| 129 | Q | 48.2 | Very low | 60.3 | Low | 99 Ų | 99 | 103.9 Ų | 103.9 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -11 | 165.2 | -70.4 | -172.8 | -67.5 | 0 | 0 | 112.6 | N126 M127 D131 E132 D133 | N126-Q129 WeakPolarHBondContact O-CB 3.39Å; N126-Q129 PolarHBondContact O-N 3.38Å; M127-Q129 VanDerWaalsContact C-N 3.3Å; Q129-D131 PolarHBondContact O-N 3.34Å; Q129-E132 PolarHBondContact O-N 2.86Å; Q129-E132 VanDerWaalsContact O-N 3.13Å; Q129-D133 WeakPolarHBondContact O-CB 3.43Å; Q129-D133 PolarHBondContact O-N 2.92Å |
| 130 | E | 51.5 | Low | 61.5 | Low | 83 Ų | 83 | 102.5 Ų | 102.5 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.4 | -29.7 | 179.9 | -71.7 | 172.7 | 164.4 | 0 | 0 | 112.7 | N126 M127 L128 D134 | N126-E130 PolarHBondContact O-N 3.47Å; M127-E130 HydrophobicContact CB-CG 4.5Å; M127-E130 WeakPolarHBondContact O-CB 3.43Å; M127-E130 WeakPolarHBondContact O-CG 3.44Å; M127-E130 PolarHBondContact O-N 2.92Å; L128-E130 VanDerWaalsContact C-N 3.31Å; E130-D134 VanDerWaalsContact O-CB 3.26Å; E130-D134 WeakPolarHBondContact O-CB 3.36Å; E130-D134 VanDerWaalsContact O-CG 3.28Å; E130-D134 PolarHBondContact O-N 3.32Å |
| 131 | D | 51.2 | Low | 62.9 | Low | 127 Ų | 127 | 98.6 Ų | 98.6 | 68% | 0.679 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71.3 | -34 | 177.7 | -71.3 | -31.1 | 0 | 0 | 0 | 113 | Q129 | Q129-D131 PolarHBondContact O-N 3.34Å |
| 132 | E | 50.8 | Low | 64.3 | Low | 144 Ų | 144 | 102.5 Ų | 102.5 | 67% | 0.673 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -79.5 | -38.2 | 173 | -86 | -176.6 | 165.9 | 0 | 0 | 111.2 | Q129 D134 E135 D136 | Q129-E132 PolarHBondContact O-N 2.86Å; Q129-E132 VanDerWaalsContact O-N 3.13Å; E132-D134 VanDerWaalsContact C-N 3.28Å; E132-D134 PolarHBondContact O-N 3.23Å; E132-E135 PolarHBondContact O-N 2.7Å; E132-D136 PolarHBondContact O-N 2.94Å; E132-D136 VanDerWaalsContact O-N 3.15Å |
| 133 | D | 58.6 | Low | 65.8 | Low | 94 Ų | 94 | 102.6 Ų | 102.6 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63 | -33.9 | 175.7 | -74.5 | -29.1 | 0 | 0 | 0 | 111.8 | Q129 F137 | Q129-D133 WeakPolarHBondContact O-CB 3.43Å; Q129-D133 PolarHBondContact O-N 2.92Å; D133-F137 WeakPolarHBondContact O-CB 3.3Å; D133-F137 PolarHBondContact O-N 2.84Å |
| 134 | D | 68.6 | Low | 67.2 | Low | 61 Ų | 61 | 102.2 Ų | 102.2 | 33% | 0.326 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.9 | -40.2 | 177.1 | -88.3 | -8.4 | 0 | 0 | 0 | 112.6 | E130 E132 L138 | E130-D134 VanDerWaalsContact O-CB 3.26Å; E130-D134 WeakPolarHBondContact O-CB 3.36Å; E130-D134 VanDerWaalsContact O-CG 3.28Å; E130-D134 PolarHBondContact O-N 3.32Å; E132-D134 VanDerWaalsContact C-N 3.28Å; E132-D134 PolarHBondContact O-N 3.23Å; D134-L138 VanDerWaalsContact O-CB 3.27Å; D134-L138 WeakPolarHBondContact O-CB 3.39Å; D134-L138 PolarHBondContact O-N 3.02Å |
| 135 | E | 76.9 | Confident | 68.6 | Low | 120 Ų | 120 | 99.3 Ų | 99.3 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -70.9 | -41.5 | 177.1 | -82.4 | -67.3 | 160 | 0 | 0 | 112.1 | E132 L138 R139 | E132-E135 PolarHBondContact O-N 2.7Å; E135-L138 PolarHBondContact O-N 2.94Å; E135-R139 WeakPolarHBondContact O-CB 3.4Å; E135-R139 PolarHBondContact O-N 3.12Å |
| 136 | D | 80.9 | Confident | 70.3 | Confident | 88 Ų | 88 | 94.9 Ų | 94.9 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67 | -39 | 176.4 | -87.2 | -21.3 | 0 | 0 | 0 | 111.8 | E132 R139 Q140 | E132-D136 PolarHBondContact O-N 2.94Å; E132-D136 VanDerWaalsContact O-N 3.15Å; D136-R139 PolarHBondContact O-N 3.32Å; D136-Q140 VanDerWaalsContact O-CG 3.29Å; D136-Q140 WeakPolarHBondContact O-CG 3.11Å; D136-Q140 PolarHBondContact O-N 3.29Å |
| 137 | F | 79.3 | Confident | 71.8 | Confident | 24 Ų | 24 | 95.9 Ų | 95.9 | 11% | 0.105 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 173.7 | -177.4 | -104 | 0 | 0 | 0 | 111.7 | Y70 L73 E74 D133 R139 Q140 Y141 | Y70-F137 AromaticContact CD2-CD1 3.97Å; Y70-F137 HydrophobicContact CD2-CD1 3.97Å; Y70-F137 AromaticContact CD2-CE1 3.6Å; Y70-F137 HydrophobicContact CD2-CE1 3.6Å; Y70-F137 HydrophobicContact CE1-CD1 4.5Å; Y70-F137 HydrophobicContact CE1-CE1 4.4Å; Y70-F137 AromaticContact CE2-CD1 3.14Å; Y70-F137 HydrophobicContact CE2-CD1 3.14Å; Y70-F137 AromaticContact CE2-CE1 3.25Å; Y70-F137 HydrophobicContact CE2-CE1 3.25Å; Y70-F137 HydrophobicContact CE2-CG 4.34Å; Y70-F137 HydrophobicContact CG-CE1 4.34Å; Y70-F137 AromaticContact CZ-CD1 3.47Å; Y70-F137 VanDerWaalsContact CZ-CD1 3.47Å; Y70-F137 AromaticContact CZ-CE1 3.7Å; Y70-F137 WeakPolarHBondContact OH-CD1 3.39Å; L73-F137 HydrophobicContact CB-CZ 4.03Å; E74-F137 HydrophobicContact CB-CE1 3.83Å; E74-F137 HydrophobicContact CB-CZ 4.15Å; E74-F137 HydrophobicContact CG-CE1 4.19Å; D133-F137 WeakPolarHBondContact O-CB 3.3Å; D133-F137 PolarHBondContact O-N 2.84Å; F137-R139 VanDerWaalsContact C-N 3.31Å; F137-R139 PolarHBondContact O-N 3.37Å; F137-Q140 PolarHBondContact O-N 3.22Å; F137-Y141 WeakPolarHBondContact O-CB 3.34Å; F137-Y141 PolarHBondContact O-N 2.91Å |
| 138 | L | 82 | Confident | 73.4 | Confident | 46 Ų | 46 | 94.5 Ų | 94.5 | 24% | 0.241 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 174.9 | -168.7 | 68.8 | 0 | 0 | 0 | 112 | Y70 D134 E135 Y141 R142 | Y70-L138 HydrophobicContact CD2-CD1 3.91Å; Y70-L138 HydrophobicContact CE2-CB 4.15Å; Y70-L138 HydrophobicContact CE2-CD1 3.53Å; Y70-L138 HydrophobicContact CE2-CG 4.47Å; D134-L138 VanDerWaalsContact O-CB 3.27Å; D134-L138 WeakPolarHBondContact O-CB 3.39Å; D134-L138 PolarHBondContact O-N 3.02Å; E135-L138 PolarHBondContact O-N 2.94Å; L138-Y141 PolarHBondContact O-N 2.76Å; L138-R142 WeakPolarHBondContact O-CG 3.34Å; L138-R142 PolarHBondContact O-N 3.42Å |
| 139 | R | 85.5 | Confident | 75 | Confident | 162 Ų | 162 | 93 Ų | 93 | 61% | 0.611 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.8 | -46 | 173.8 | -174.4 | -178.8 | -174.3 | 176.2 | 3.9 | 111.8 | E135 D136 F137 Y141 R142 M143 | E135-R139 WeakPolarHBondContact O-CB 3.4Å; E135-R139 PolarHBondContact O-N 3.12Å; D136-R139 PolarHBondContact O-N 3.32Å; F137-R139 VanDerWaalsContact C-N 3.31Å; F137-R139 PolarHBondContact O-N 3.37Å; R139-Y141 VanDerWaalsContact C-N 3.32Å; R139-Y141 PolarHBondContact O-N 3Å; R139-R142 PolarHBondContact O-N 3.43Å; R139-M143 WeakPolarHBondContact O-CG 3.39Å; R139-M143 PolarHBondContact O-N 3.48Å |
| 140 | Q | 85.3 | Confident | 76.4 | Confident | 117 Ų | 117 | 94.3 Ų | 94.3 | 55% | 0.547 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 175.7 | -73.4 | 174.4 | 25.1 | 0 | 0 | 111.2 | D136 F137 R142 M143 Q144 | D136-Q140 VanDerWaalsContact O-CG 3.29Å; D136-Q140 WeakPolarHBondContact O-CG 3.11Å; D136-Q140 PolarHBondContact O-N 3.29Å; F137-Q140 PolarHBondContact O-N 3.22Å; Q140-R142 PolarHBondContact O-N 2.66Å; Q140-M143 PolarHBondContact O-N 2.93Å; Q140-Q144 WeakPolarHBondContact O-CB 3.47Å; Q140-Q144 PolarHBondContact O-N 3.44Å |
| 141 | Y | 83.8 | Confident | 77.7 | Confident | 17 Ų | 17 | 98.2 Ų | 98.2 | 7% | 0.067 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 177.2 | -178.5 | -103.2 | 0 | 0 | 0 | 112.2 | D66 K69 Y70 L73 F137 L138 R139 M143 Q144 R145 | D66-Y141 HydrophobicContact CB-CE1 4.34Å; D66-Y141 PolarHBondContact O-OH 2.94Å; D66-Y141 VanDerWaalsContact O-OH 3.12Å; K69-Y141 HydrophobicContact CB-CE2 4.47Å; K69-Y141 WeakPolarHBondContact CB-OH 3.27Å; Y70-Y141 AromaticContact CD2-CD1 3.97Å; Y70-Y141 HydrophobicContact CD2-CD1 3.97Å; Y70-Y141 HydrophobicContact CD2-CD2 4.38Å; Y70-Y141 AromaticContact CD2-CG 3.84Å; Y70-Y141 HydrophobicContact CD2-CG 3.84Å; L73-Y141 HydrophobicContact CD1-CD2 3.82Å; L73-Y141 HydrophobicContact CD1-CE2 3.7Å; F137-Y141 WeakPolarHBondContact O-CB 3.34Å; F137-Y141 PolarHBondContact O-N 2.91Å; L138-Y141 PolarHBondContact O-N 2.76Å; R139-Y141 VanDerWaalsContact C-N 3.32Å; R139-Y141 PolarHBondContact O-N 3Å; Y141-M143 VanDerWaalsContact C-N 3.34Å; Y141-M143 PolarHBondContact O-N 3.36Å; Y141-Q144 PolarHBondContact O-N 3.06Å; Y141-R145 HydrophobicContact CD1-CG 4.28Å; Y141-R145 HydrophobicContact CE1-CG 3.81Å; Y141-R145 HydrophobicContact CE2-CG 4.08Å; Y141-R145 WeakPolarHBondContact O-CG 3.49Å; Y141-R145 PolarHBondContact O-N 2.68Å |
| 142 | R | 86.4 | Confident | 78.7 | Confident | 152 Ų | 152 | 95.2 Ų | 95.2 | 57% | 0.574 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -57.6 | -46.4 | 174.6 | -73.5 | 173.1 | -178.1 | 163.8 | 5 | 111.6 | L138 R139 Q140 R145 I146 | L138-R142 WeakPolarHBondContact O-CG 3.34Å; L138-R142 PolarHBondContact O-N 3.42Å; R139-R142 PolarHBondContact O-N 3.43Å; Q140-R142 PolarHBondContact O-N 2.66Å; R142-R145 PolarHBondContact O-N 3.13Å; R142-I146 WeakPolarHBondContact O-CG1 3.29Å; R142-I146 PolarHBondContact O-N 3.28Å; R142-I146 VanDerWaalsContact O-N 3.09Å |
| 143 | M | 86.3 | Confident | 79.6 | Confident | 123 Ų | 123 | 95 Ų | 95 | 61% | 0.606 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.4 | -42.4 | 177.4 | -73.3 | -175.4 | 64.7 | 0 | 0 | 111.9 | R139 Q140 Y141 R145 I146 E147 | R139-M143 WeakPolarHBondContact O-CG 3.39Å; R139-M143 PolarHBondContact O-N 3.48Å; Q140-M143 PolarHBondContact O-N 2.93Å; Y141-M143 VanDerWaalsContact C-N 3.34Å; Y141-M143 PolarHBondContact O-N 3.36Å; M143-R145 PolarHBondContact O-N 3.27Å; M143-I146 PolarHBondContact O-N 3.49Å; M143-E147 WeakPolarHBondContact O-CB 3.37Å; M143-E147 PolarHBondContact O-N 3.37Å |
| 144 | Q | 85.8 | Confident | 80.1 | Confident | 112 Ų | 112 | 93.6 Ų | 93.6 | 52% | 0.523 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 177.8 | -171.9 | 178.7 | 12.4 | 0 | 0 | 111.6 | Q140 Y141 E147 E148 | Q140-Q144 WeakPolarHBondContact O-CB 3.47Å; Q140-Q144 PolarHBondContact O-N 3.44Å; Y141-Q144 PolarHBondContact O-N 3.06Å; Q144-E147 PolarHBondContact O-N 3.46Å; Q144-E148 WeakPolarHBondContact O-CB 3.36Å; Q144-E148 PolarHBondContact O-N 2.72Å |
| 145 | R | 83.7 | Confident | 80.2 | Confident | 34 Ų | 34 | 98.5 Ų | 98.5 | 13% | 0.128 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 176.8 | -69.8 | -66 | -71.2 | 134.4 | 1.9 | 112.4 | D66 Y141 R142 M143 E148 M149 | D66-R145 IonicContact OD1-CZ 2.72Å; D66-R145 IonicContact OD1-NE 3.79Å; D66-R145 PolarHBondContact OD1-NE 3.44Å; D66-R145 IonicContact OD1-NH2 3.79Å; D66-R145 PolarHBondContact OD1-NH2 3.13Å; Y141-R145 HydrophobicContact CD1-CG 4.28Å; Y141-R145 HydrophobicContact CE1-CG 3.81Å; Y141-R145 HydrophobicContact CE2-CG 4.08Å; Y141-R145 WeakPolarHBondContact O-CG 3.49Å; Y141-R145 PolarHBondContact O-N 2.68Å; R142-R145 PolarHBondContact O-N 3.13Å; M143-R145 PolarHBondContact O-N 3.27Å; R145-E148 IonicContact CZ-OE2 3.41Å; R145-E148 IonicContact NH1-OE1 3.32Å; R145-E148 IonicContact NH1-OE2 2.72Å; R145-E148 PolarHBondContact NH1-OE2 3.04Å; R145-E148 PolarHBondContact O-N 2.85Å; R145-M149 WeakPolarHBondContact O-CG 3.44Å; R145-M149 PolarHBondContact O-N 3.16Å |
| 146 | I | 84.4 | Confident | 80 | Confident | 81 Ų | 81 | 94.9 Ų | 94.9 | 42% | 0.415 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 174.5 | -67.6 | 166 | 0 | 0 | 0 | 110.5 | R142 M143 M149 R150 | R142-I146 WeakPolarHBondContact O-CG1 3.29Å; R142-I146 PolarHBondContact O-N 3.28Å; R142-I146 VanDerWaalsContact O-N 3.09Å; M143-I146 PolarHBondContact O-N 3.49Å; I146-M149 HydrophobicContact CG1-CE 4.42Å; I146-M149 PolarHBondContact O-N 3.46Å; I146-R150 HydrophobicContact CG2-CG 4.49Å; I146-R150 WeakPolarHBondContact O-CG 3.38Å; I146-R150 PolarHBondContact O-N 2.88Å |
| 147 | E | 84.1 | Confident | 80.2 | Confident | 104 Ų | 104 | 96 Ų | 96 | 49% | 0.486 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | -179.4 | -170.9 | 58.4 | -152.3 | 0 | 0 | 112.2 | M143 Q144 R150 R151 | M143-E147 WeakPolarHBondContact O-CB 3.37Å; M143-E147 PolarHBondContact O-N 3.37Å; Q144-E147 PolarHBondContact O-N 3.46Å; E147-R150 PolarHBondContact O-N 3.2Å; E147-R151 WeakPolarHBondContact O-CB 3.26Å; E147-R151 PolarHBondContact O-N 3.1Å |
| 148 | E | 83.2 | Confident | 80.6 | Confident | 70 Ų | 70 | 102.9 Ų | 102.9 | 33% | 0.327 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.4 | -48 | 174 | -172.3 | -175.3 | 179.2 | 0 | 0 | 111.1 | Q144 R145 R150 R151 Q152 | Q144-E148 WeakPolarHBondContact O-CB 3.36Å; Q144-E148 PolarHBondContact O-N 2.72Å; R145-E148 IonicContact CZ-OE2 3.41Å; R145-E148 IonicContact NH1-OE1 3.32Å; R145-E148 IonicContact NH1-OE2 2.72Å; R145-E148 PolarHBondContact NH1-OE2 3.04Å; R145-E148 PolarHBondContact O-N 2.85Å; E148-R150 PolarHBondContact O-N 3.41Å; E148-R151 PolarHBondContact O-N 3.13Å; E148-Q152 WeakPolarHBondContact O-CG 3.4Å; E148-Q152 PolarHBondContact O-N 3.3Å |
| 149 | M | 78.3 | Confident | 80.7 | Confident | 94 Ų | 94 | 101.8 Ų | 101.8 | 46% | 0.463 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 175.6 | -71.7 | -173 | -66.3 | 0 | 0 | 111.8 | R145 I146 R151 Q152 L153 | R145-M149 WeakPolarHBondContact O-CG 3.44Å; R145-M149 PolarHBondContact O-N 3.16Å; I146-M149 HydrophobicContact CG1-CE 4.42Å; I146-M149 PolarHBondContact O-N 3.46Å; M149-R151 PolarHBondContact O-N 3.21Å; M149-Q152 PolarHBondContact O-N 2.94Å; M149-L153 WeakPolarHBondContact O-CG 3.29Å; M149-L153 PolarHBondContact O-N 3Å; M149-L153 VanDerWaalsContact O-N 3.11Å |
| 150 | R | 77.9 | Confident | 80.9 | Confident | 128 Ų | 128 | 99.1 Ų | 99.1 | 48% | 0.483 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 176 | -76.5 | 175.4 | 172.6 | -179.4 | -2.6 | 111.8 | I146 E147 E148 Q152 L153 C154 | I146-R150 HydrophobicContact CG2-CG 4.49Å; I146-R150 WeakPolarHBondContact O-CG 3.38Å; I146-R150 PolarHBondContact O-N 2.88Å; E147-R150 PolarHBondContact O-N 3.2Å; E148-R150 PolarHBondContact O-N 3.41Å; R150-Q152 VanDerWaalsContact C-N 3.29Å; R150-Q152 PolarHBondContact O-N 3.47Å; R150-L153 PolarHBondContact O-N 3.37Å; R150-L153 VanDerWaalsContact O-N 3.16Å; R150-C154 WeakPolarHBondContact O-CB 3.49Å; R150-C154 PolarHBondContact O-N 3.11Å; R150-C154 PolarHBondContact O-SG 2.96Å |
| 151 | R | 78.1 | Confident | 81.3 | Confident | 164 Ų | 164 | 103.6 Ų | 103.6 | 62% | 0.619 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62 | -37.8 | 179.4 | -178.8 | 179.5 | -86.4 | -170.5 | -5.2 | 111.7 | E147 E148 M149 C154 R155 | E147-R151 WeakPolarHBondContact O-CB 3.26Å; E147-R151 PolarHBondContact O-N 3.1Å; E148-R151 PolarHBondContact O-N 3.13Å; M149-R151 PolarHBondContact O-N 3.21Å; R151-C154 PolarHBondContact O-N 3.43Å; R151-R155 WeakPolarHBondContact O-CG 3.29Å |
| 152 | Q | 73.4 | Confident | 81.9 | Confident | 64 Ų | 64 | 104.3 Ų | 104.3 | 30% | 0.299 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 175.5 | -70.9 | 176.2 | 3 | 0 | 0 | 111.8 | E148 M149 R150 | E148-Q152 WeakPolarHBondContact O-CG 3.4Å; E148-Q152 PolarHBondContact O-N 3.3Å; M149-Q152 PolarHBondContact O-N 2.94Å; R150-Q152 VanDerWaalsContact C-N 3.29Å; R150-Q152 PolarHBondContact O-N 3.47Å |
| 153 | L | 70 | Confident | 82.3 | Confident | 139 Ų | 139 | 101.4 Ų | 101.4 | 73% | 0.728 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -72.1 | -27.5 | 177.9 | -67 | 169 | 0 | 0 | 0 | 113.5 | M149 R150 R155 | M149-L153 WeakPolarHBondContact O-CG 3.29Å; M149-L153 PolarHBondContact O-N 3Å; M149-L153 VanDerWaalsContact O-N 3.11Å; R150-L153 PolarHBondContact O-N 3.37Å; R150-L153 VanDerWaalsContact O-N 3.16Å; L153-R155 VanDerWaalsContact C-N 3.33Å; L153-R155 PolarHBondContact O-N 3.17Å |
| 154 | C | 68.6 | Low | 82.7 | Confident | 66 Ų | 66 | 101.3 Ų | 101.3 | 45% | 0.446 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 4.2 | -178.5 | -69.3 | 0 | 0 | 0 | 0 | 114.6 | R150 R151 L212 | R150-C154 WeakPolarHBondContact O-CB 3.49Å; R150-C154 PolarHBondContact O-N 3.11Å; R150-C154 PolarHBondContact O-SG 2.96Å; R151-C154 PolarHBondContact O-N 3.43Å; C154-L212 HydrophobicContact CB-CD1 4.36Å |
| 155 | R | 69.5 | Low | 83.2 | Confident | 163 Ų | 163 | 96.1 Ų | 96.1 | 62% | 0.615 | 44% | 0.437 | S | S | * | . | trans | -87.3 | 122.9 | 177.3 | -80.1 | 171.4 | 166.2 | -175 | -3.7 | 109.8 | R151 L153 | R151-R155 WeakPolarHBondContact O-CG 3.29Å; L153-R155 VanDerWaalsContact C-N 3.33Å; L153-R155 PolarHBondContact O-N 3.17Å | ||
| 156 | G | 74.6 | Confident | 83.6 | Confident | 45 Ų | 45 | 97 Ų | 97 | 46% | 0.464 | 46% | 0.458 | S | S | . | . | S | Bend | trans | 169 | 170.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 157 | K | 84 | Confident | 84.1 | Confident | 110 Ų | 110 | 94.8 Ų | 94.8 | 48% | 0.478 | 45% | 0.449 | S | S | . | . | trans | -61.8 | 144.9 | 168.4 | -178.3 | 172.3 | 160.8 | -156.6 | 0 | 109.8 | F159 E178 | K157-F159 HydrophobicContact CB-CE2 4.16Å; K157-F159 HydrophobicContact CB-CZ 3.93Å; K157-F159 HydrophobicContact CD-CE1 3.85Å; K157-F159 HydrophobicContact CD-CZ 3.71Å; K157-F159 VanDerWaalsContact CE-CE1 3.43Å; K157-F159 HydrophobicContact CG-CE1 4Å; K157-F159 HydrophobicContact CG-CE2 4.22Å; K157-F159 HydrophobicContact CG-CZ 3.7Å; K157-F159 WeakPolarHBondContact O-CE2 3.41Å; K157-E178 WeakPolarHBondContact CD-OE1 3.42Å; K157-E178 IonicContact NZ-OE1 3.29Å; K157-E178 PolarHBondContact NZ-OE1 3.39Å; K157-E178 IonicContact NZ-OE2 2.61Å; K157-E178 PolarHBondContact NZ-OE2 3.38Å | ||
| 158 | R | 86.9 | Confident | 84.4 | Confident | 170 Ų | 170 | 91.3 Ų | 91.3 | 64% | 0.642 | 44% | 0.441 | S | S | * | . | trans | -105.6 | 132.7 | 179.8 | -66.8 | -174.4 | 178.7 | -167.3 | -1 | 111.9 | P211 L212 | R158-P211 CarbonylContact C-O 3.54Å; R158-P211 WeakPolarHBondContact CA-O 3.43Å; R158-P211 HydrophobicContact CB-CB 4.1Å; R158-P211 HydrophobicContact CG-CB 4.02Å; R158-L212 HydrophobicContact CG-CD2 4.22Å | ||
| 159 | F | 85.7 | Confident | 84.9 | Confident | 23 Ų | 23 | 95.7 Ų | 95.7 | 10% | 0.101 | 46% | 0.461 | C | S | . | . | trans | -120.8 | 96.6 | 177.7 | -44 | -91.1 | 0 | 0 | 0 | 107.1 | K157 R161 E178 T182 P211 K214 | K157-F159 HydrophobicContact CB-CE2 4.16Å; K157-F159 HydrophobicContact CB-CZ 3.93Å; K157-F159 HydrophobicContact CD-CE1 3.85Å; K157-F159 HydrophobicContact CD-CZ 3.71Å; K157-F159 VanDerWaalsContact CE-CE1 3.43Å; K157-F159 HydrophobicContact CG-CE1 4Å; K157-F159 HydrophobicContact CG-CE2 4.22Å; K157-F159 HydrophobicContact CG-CZ 3.7Å; K157-F159 WeakPolarHBondContact O-CE2 3.41Å; F159-R161 VanDerWaalsContact C-N 3.32Å; F159-E178 HydrophobicContact CZ-CG 4.15Å; F159-E178 WeakPolarHBondContact CZ-OE1 3.41Å; F159-T182 HydrophobicContact CE2-CG2 3.64Å; F159-T182 HydrophobicContact CZ-CG2 4.01Å; F159-P211 PolarHBondContact N-O 2.91Å; F159-K214 HydrophobicContact CB-CB 4.45Å; F159-K214 HydrophobicContact CD1-CB 3.97Å; F159-K214 HydrophobicContact CD1-CD 4.11Å; F159-K214 HydrophobicContact CD1-CG 3.79Å; F159-K214 HydrophobicContact CD2-CB 3.87Å; F159-K214 HydrophobicContact CE1-CB 4.14Å; F159-K214 HydrophobicContact CE1-CD 3.82Å; F159-K214 HydrophobicContact CE1-CG 4Å; F159-K214 HydrophobicContact CE2-CB 4.07Å; F159-K214 HydrophobicContact CG-CB 3.84Å; F159-K214 HydrophobicContact CG-CG 4.1Å; F159-K214 HydrophobicContact CZ-CB 4.2Å; F159-K214 HydrophobicContact CZ-CD 4.31Å | ||
| 160 | E | 89.3 | Confident | 85.6 | Confident | 106 Ų | 106 | 95.1 Ų | 95.1 | 50% | 0.495 | 46% | 0.457 | S | S | . | . | trans | -98.4 | 16 | -176.1 | -65.1 | 173.9 | 174.9 | 0 | 0 | 111.9 | P211 | E160-P211 HydrophobicContact CG-CB 3.99Å; E160-P211 HydrophobicContact CG-CG 4.35Å | ||
| 161 | R | 93.7 | Very high | 86.3 | Confident | 210 Ų | 210 | 90.2 Ų | 90.2 | 79% | 0.792 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -149.1 | 153.8 | -176.4 | -67.9 | -169.1 | -68.8 | -112.2 | 0.5 | 110.6 | F159 | F159-R161 VanDerWaalsContact C-N 3.32Š|
| 162 | V | 95.7 | Very high | 87 | Confident | 32 Ų | 32 | 87 Ų | 87 | 19% | 0.194 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 128.2 | 170 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | L203 L204 A207 F215 C217 | V162-L203 HydrophobicContact CG2-CB 4.05Å; V162-L203 WeakPolarHBondContact CG2-O 3.39Å; V162-L204 HydrophobicContact CB-CD2 4.1Å; V162-L204 HydrophobicContact CG2-CD2 3.86Å; V162-L204 HydrophobicContact CG2-CG 4.33Å; V162-A207 HydrophobicContact CG2-CB 3.94Å; V162-F215 CarbonylContact C-O 3.52Å; V162-F215 WeakPolarHBondContact CA-O 3.46Å; V162-F215 HydrophobicContact CG2-CB 4.02Å; V162-C217 HydrophobicContact CG1-CB 4.14Å |
| 163 | Q | 95.2 | Very high | 87.9 | Confident | 92 Ų | 92 | 88.3 Ų | 88.3 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.3 | 176.8 | -173.9 | 176.2 | 7.4 | 0 | 0 | 110.5 | L165 F215 C216 C217 | Q163-L165 HydrophobicContact CG-CD2 4.07Å; Q163-F215 PolarHBondContact N-O 3.09Å; Q163-C216 CarbonylContact O-C 3.59Å; Q163-C216 WeakPolarHBondContact O-CA 3.43Å; Q163-C216 WeakPolarHBondContact O-CB 3.17Å; Q163-C217 PolarHBondContact O-N 3.32Å |
| 164 | E | 95.5 | Very high | 89 | Confident | 120 Ų | 120 | 82 Ų | 82 | 56% | 0.561 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 131 | 171.4 | -171.8 | 169.4 | -159.6 | 0 | 0 | 110 | Y189 C217 | E164-Y189 PolarHBondContact OE1-OH 3.04Å; E164-C217 WeakPolarHBondContact CA-O 3.31Å |
| 165 | L | 95.4 | Very high | 90 | Very high | 3 Ų | 3 | 79.7 Ų | 79.7 | 2% | 0.016 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.4 | 178.9 | -51.1 | 176.3 | 0 | 0 | 0 | 108.7 | Q163 E170 F171 A174 C216 C217 V218 | Q163-L165 HydrophobicContact CG-CD2 4.07Å; L165-E170 HydrophobicContact CB-CB 4.36Å; L165-E170 HydrophobicContact CD2-CB 4.34Å; L165-F171 HydrophobicContact CD1-CB 4.4Å; L165-F171 HydrophobicContact CD1-CD2 4.39Å; L165-A174 HydrophobicContact CD1-CB 4.22Å; L165-A174 HydrophobicContact CD2-CB 4.17Å; L165-C216 HydrophobicContact CD1-CB 3.76Å; L165-C216 HydrophobicContact CG-CB 4.06Å; L165-C217 PolarHBondContact N-O 3.43Å; L165-V218 HydrophobicContact CB-CB 4.11Å; L165-V218 HydrophobicContact CB-CG2 4.13Å |
| 166 | G | 92.8 | Very high | 91 | Very high | 54 Ų | 54 | 77.9 Ų | 77.9 | 56% | 0.557 | 39% | 0.394 | S | S | * | . | trans | -90.2 | -13 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E170 A222 | G166-E170 PolarHBondContact N-OE2 3.32Å; G166-A222 WeakPolarHBondContact O-CB 3.28Å | ||
| 167 | S | 93.6 | Very high | 91.7 | Very high | 34 Ų | 34 | 82.9 Ų | 82.9 | 24% | 0.238 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -149.6 | 161.7 | -175.8 | 69.1 | 0 | 0 | 0 | 0 | 113 | E169 E170 F171 | S167-E169 PolarHBondContact O-N 2.92Å; S167-E170 PolarHBondContact O-N 3.35Å; S167-E170 WeakPolarHBondContact OG-CG 3.46Å; S167-E170 PolarHBondContact OG-N 3.01Å; S167-E170 PolarHBondContact OG-OE1 3.2Å; S167-F171 PolarHBondContact O-N 2.87Å; S167-F171 VanDerWaalsContact O-N 3.08Å |
| 168 | G | 91.4 | Very high | 92 | Very high | 30 Ų | 30 | 78.8 Ų | 78.8 | 31% | 0.309 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.5 | -25.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F171 L172 A222 | G168-F171 WeakPolarHBondContact O-CB 3.43Å; G168-F171 PolarHBondContact O-N 3.49Å; G168-L172 WeakPolarHBondContact O-CG 3.46Å; G168-L172 PolarHBondContact O-N 3.09Å; G168-A222 PolarHBondContact N-O 3.35Å |
| 169 | E | 92.7 | Very high | 92 | Very high | 163 Ų | 163 | 74.5 Ų | 74.5 | 76% | 0.762 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -70.3 | -44.3 | 174.2 | -64.6 | -176.3 | 174.5 | 0 | 0 | 110.8 | S167 F171 L172 E173 | S167-E169 PolarHBondContact O-N 2.92Å; E169-F171 VanDerWaalsContact C-N 3.25Å; E169-F171 PolarHBondContact O-N 2.98Å; E169-L172 PolarHBondContact O-N 2.96Å; E169-E173 WeakPolarHBondContact O-CB 3.16Å; E169-E173 PolarHBondContact O-N 3.33Å |
| 170 | E | 94.1 | Very high | 92.1 | Very high | 81 Ų | 81 | 78.9 Ų | 78.9 | 38% | 0.379 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.3 | -33.4 | 173.9 | -73.2 | 169.5 | -140.1 | 0 | 0 | 112.2 | L165 G166 S167 A174 | L165-E170 HydrophobicContact CB-CB 4.36Å; L165-E170 HydrophobicContact CD2-CB 4.34Å; G166-E170 PolarHBondContact N-OE2 3.32Å; S167-E170 PolarHBondContact O-N 3.35Å; S167-E170 WeakPolarHBondContact OG-CG 3.46Å; S167-E170 PolarHBondContact OG-N 3.01Å; S167-E170 PolarHBondContact OG-OE1 3.2Å; E170-A174 WeakPolarHBondContact O-CB 3.45Å; E170-A174 PolarHBondContact O-N 3.1Å |
| 171 | F | 92.9 | Very high | 92 | Very high | 25 Ų | 25 | 77 Ų | 77 | 11% | 0.11 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.2 | -50 | 172.1 | 178.2 | -82.2 | 0 | 0 | 0 | 112.4 | L165 S167 G168 E169 A174 L175 I186 V218 I223 L238 Y240 | L165-F171 HydrophobicContact CD1-CB 4.4Å; L165-F171 HydrophobicContact CD1-CD2 4.39Å; S167-F171 PolarHBondContact O-N 2.87Å; S167-F171 VanDerWaalsContact O-N 3.08Å; G168-F171 WeakPolarHBondContact O-CB 3.43Å; G168-F171 PolarHBondContact O-N 3.49Å; E169-F171 VanDerWaalsContact C-N 3.25Å; E169-F171 PolarHBondContact O-N 2.98Å; F171-A174 PolarHBondContact O-N 3.43Å; F171-L175 HydrophobicContact CD1-CD1 4.08Å; F171-L175 HydrophobicContact CE1-CD1 3.49Å; F171-L175 VanDerWaalsContact CE1-CD1 3.49Å; F171-L175 HydrophobicContact CZ-CD1 3.93Å; F171-L175 WeakPolarHBondContact O-CG 3.3Å; F171-L175 PolarHBondContact O-N 2.83Å; F171-I186 HydrophobicContact CD2-CD1 3.72Å; F171-I186 HydrophobicContact CD2-CG2 4.07Å; F171-I186 HydrophobicContact CE2-CB 4.22Å; F171-I186 HydrophobicContact CE2-CD1 3.34Å; F171-I186 HydrophobicContact CE2-CG1 4.35Å; F171-I186 HydrophobicContact CE2-CG2 3.79Å; F171-I186 HydrophobicContact CZ-CD1 3.86Å; F171-V218 HydrophobicContact CD2-CG1 4.39Å; F171-I223 HydrophobicContact CB-CG2 4.4Å; F171-L238 HydrophobicContact CZ-CD1 4.37Å; F171-Y240 HydrophobicContact CZ-CE2 4.19Å |
| 172 | L | 92.3 | Very high | 91.8 | Very high | 96 Ų | 96 | 67.3 Ų | 67.3 | 50% | 0.503 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 178.7 | -66.2 | 172.9 | 0 | 0 | 0 | 111.3 | G168 E169 A174 L175 D176 | G168-L172 WeakPolarHBondContact O-CG 3.46Å; G168-L172 PolarHBondContact O-N 3.09Å; E169-L172 PolarHBondContact O-N 2.96Å; L172-A174 VanDerWaalsContact C-N 3.28Å; L172-A174 PolarHBondContact O-N 3.44Å; L172-L175 PolarHBondContact O-N 2.94Å; L172-L175 VanDerWaalsContact O-N 3.07Å; L172-D176 WeakPolarHBondContact O-CB 3.43Å; L172-D176 PolarHBondContact O-N 3.16Å |
| 173 | E | 93.1 | Very high | 91.7 | Very high | 93 Ų | 93 | 66.7 Ų | 66.7 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.5 | -40.3 | 176.3 | -179.5 | 169.3 | -172.1 | 0 | 0 | 112.1 | E169 L175 K177 | E169-E173 WeakPolarHBondContact O-CB 3.16Å; E169-E173 PolarHBondContact O-N 3.33Å; E173-L175 PolarHBondContact O-N 3.46Å; E173-K177 VanDerWaalsContact CD-NZ 3.26Å; E173-K177 HydrophobicContact CG-CD 3.59Å; E173-K177 HydrophobicContact CG-CG 4.03Å; E173-K177 WeakPolarHBondContact O-CB 3.22Å; E173-K177 PolarHBondContact O-N 3.18Å; E173-K177 WeakPolarHBondContact OE1-CD 3.02Å; E173-K177 WeakPolarHBondContact OE1-CE 3.11Å; E173-K177 IonicContact OE1-NZ 2.66Å; E173-K177 PolarHBondContact OE1-NZ 3.11Å; E173-K177 IonicContact OE2-NZ 2.91Å |
| 174 | A | 91.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 62.6 Ų | 62.6 | 5% | 0.05 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.4 | -25.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | L165 E170 F171 L172 I184 K214 | L165-A174 HydrophobicContact CD1-CB 4.22Å; L165-A174 HydrophobicContact CD2-CB 4.17Å; E170-A174 WeakPolarHBondContact O-CB 3.45Å; E170-A174 PolarHBondContact O-N 3.1Å; F171-A174 PolarHBondContact O-N 3.43Å; L172-A174 VanDerWaalsContact C-N 3.28Å; L172-A174 PolarHBondContact O-N 3.44Å; A174-I184 WeakPolarHBondContact O-CD1 3.16Å; A174-K214 PolarHBondContact O-NZ 3.5Å |
| 175 | L | 90.8 | Very high | 91.8 | Very high | 17 Ų | 17 | 56.9 Ų | 56.9 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -90.2 | -48.3 | 177.9 | -65.6 | 176.9 | 0 | 0 | 0 | 112.6 | F171 L172 E173 I184 I186 Y240 | F171-L175 HydrophobicContact CD1-CD1 4.08Å; F171-L175 HydrophobicContact CE1-CD1 3.49Å; F171-L175 VanDerWaalsContact CE1-CD1 3.49Å; F171-L175 HydrophobicContact CZ-CD1 3.93Å; F171-L175 WeakPolarHBondContact O-CG 3.3Å; F171-L175 PolarHBondContact O-N 2.83Å; L172-L175 PolarHBondContact O-N 2.94Å; L172-L175 VanDerWaalsContact O-N 3.07Å; E173-L175 PolarHBondContact O-N 3.46Å; L175-I184 HydrophobicContact CD2-CB 4.21Å; L175-I184 HydrophobicContact CD2-CD1 3.91Å; L175-I184 HydrophobicContact CD2-CG2 3.97Å; L175-I186 HydrophobicContact CD1-CD1 4.42Å; L175-I186 HydrophobicContact CD2-CD1 3.81Å; L175-I186 HydrophobicContact CG-CD1 4.13Å; L175-Y240 HydrophobicContact CD1-CD1 4.2Å; L175-Y240 HydrophobicContact CD1-CD2 4.31Å; L175-Y240 HydrophobicContact CD1-CE1 4Å; L175-Y240 HydrophobicContact CD1-CE2 4.09Å; L175-Y240 HydrophobicContact CD1-CG 4.35Å; L175-Y240 HydrophobicContact CD2-CD1 4.09Å; L175-Y240 HydrophobicContact CD2-CD2 3.59Å; L175-Y240 HydrophobicContact CD2-CE2 4.17Å; L175-Y240 HydrophobicContact CD2-CG 3.53Å |
| 176 | D | 89.9 | Confident | 91.8 | Very high | 125 Ų | 125 | 56.8 Ų | 56.8 | 67% | 0.668 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -78.1 | -30.1 | -169.8 | -71.1 | -17.5 | 0 | 0 | 0 | 113.5 | L172 | L172-D176 WeakPolarHBondContact O-CB 3.43Å; L172-D176 PolarHBondContact O-N 3.16Å |
| 177 | K | 89.1 | Confident | 92 | Very high | 150 Ų | 150 | 54.2 Ų | 54.2 | 65% | 0.652 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 4.4 | -176.3 | -63 | -166.6 | -172 | 170.1 | 0 | 114.3 | E173 | E173-K177 VanDerWaalsContact CD-NZ 3.26Å; E173-K177 HydrophobicContact CG-CD 3.59Å; E173-K177 HydrophobicContact CG-CG 4.03Å; E173-K177 WeakPolarHBondContact O-CB 3.22Å; E173-K177 PolarHBondContact O-N 3.18Å; E173-K177 WeakPolarHBondContact OE1-CD 3.02Å; E173-K177 WeakPolarHBondContact OE1-CE 3.11Å; E173-K177 IonicContact OE1-NZ 2.66Å; E173-K177 PolarHBondContact OE1-NZ 3.11Å; E173-K177 IonicContact OE2-NZ 2.91Å |
| 178 | E | 90.3 | Very high | 92.1 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 12% | 0.117 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -99.6 | 157.4 | -178.4 | -148.1 | 65.6 | -120.8 | 0 | 0 | 112 | K157 F159 T182 I184 K214 | K157-E178 WeakPolarHBondContact CD-OE1 3.42Å; K157-E178 IonicContact NZ-OE1 3.29Å; K157-E178 PolarHBondContact NZ-OE1 3.39Å; K157-E178 IonicContact NZ-OE2 2.61Å; K157-E178 PolarHBondContact NZ-OE2 3.38Å; F159-E178 HydrophobicContact CZ-CG 4.15Å; F159-E178 WeakPolarHBondContact CZ-OE1 3.41Å; E178-T182 HydrophobicContact CG-CG2 3.75Å; E178-I184 HydrophobicContact CB-CD1 3.9Å; E178-I184 HydrophobicContact CG-CD1 4.35Å; E178-K214 HydrophobicContact CG-CD 4.23Å; E178-K214 WeakPolarHBondContact OE2-CD 3.31Å; E178-K214 IonicContact OE2-NZ 3Å; E178-K214 PolarHBondContact OE2-NZ 3.27Å |
| 179 | D | 88 | Confident | 92.3 | Very high | 80 Ų | 80 | 52.6 Ų | 52.6 | 43% | 0.428 | 26% | 0.26 | S | S | . | . | trans | -61.8 | 141.8 | 178.2 | -62.9 | -57.1 | 0 | 0 | 0 | 111.5 | S181 T182 | D179-S181 PolarHBondContact O-N 3.49Å; D179-S181 VanDerWaalsContact O-N 3.08Å; D179-T182 VanDerWaalsContact O-CB 3.31Å; D179-T182 WeakPolarHBondContact O-CB 3.49Å; D179-T182 PolarHBondContact O-N 3.11Å | ||
| 180 | K | 87.6 | Confident | 92.3 | Very high | 115 Ų | 115 | 46.2 Ų | 46.2 | 50% | 0.5 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -22.7 | -178.8 | -62.9 | -179.6 | -176.8 | 175.9 | 0 | 114 | A42 G242 | A42-K180 HydrophobicContact CB-CD 4.25Å; K180-G242 WeakPolarHBondContact O-CA 3.28Å; K180-G242 PolarHBondContact O-N 3.39Å |
| 181 | S | 86.2 | Confident | 92.1 | Very high | 66 Ų | 66 | 45.1 Ų | 45.1 | 46% | 0.462 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -20.6 | 175.4 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | D179 | D179-S181 PolarHBondContact O-N 3.49Å; D179-S181 VanDerWaalsContact O-N 3.08Å |
| 182 | T | 90.4 | Very high | 92 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.043 | 26% | 0.264 | C | S | . | . | trans | -73.9 | 133.8 | -177.8 | -59.8 | 0 | 0 | 0 | 0 | 110.4 | F159 E178 D179 I184 K214 | F159-T182 HydrophobicContact CE2-CG2 3.64Å; F159-T182 HydrophobicContact CZ-CG2 4.01Å; E178-T182 HydrophobicContact CG-CG2 3.75Å; D179-T182 VanDerWaalsContact O-CB 3.31Å; D179-T182 WeakPolarHBondContact O-CB 3.49Å; D179-T182 PolarHBondContact O-N 3.11Å; T182-I184 HydrophobicContact CG2-CG1 4.28Å; T182-K214 HydrophobicContact CG2-CB 4.19Å | ||
| 183 | L | 93.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 9% | 0.094 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 128.5 | 174.1 | -166.5 | 142.5 | 0 | 0 | 0 | 108.8 | M185 V213 K214 V239 I246 L274 | L183-M185 HydrophobicContact CD2-CE 3.44Å; L183-M185 VanDerWaalsContact CD2-CE 3.44Å; L183-M185 HydrophobicContact CD2-CG 3.59Å; L183-M185 HydrophobicContact CD2-SD 4.24Å; L183-V213 HydrophobicContact CB-CG2 4.43Å; L183-V213 HydrophobicContact CD2-CG1 3.63Å; L183-V213 HydrophobicContact CD2-CG2 4.31Å; L183-K214 PolarHBondContact O-N 3.3Å; L183-V239 HydrophobicContact CD1-CG1 4.38Å; L183-V239 HydrophobicContact CD2-CG1 3.76Å; L183-V239 HydrophobicContact CG-CG1 4.07Å; L183-I246 HydrophobicContact CD1-CD1 4.22Å; L183-L274 WeakPolarHBondContact CD1-O 3.49Å |
| 184 | I | 95.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 121.7 | -174.5 | -50.9 | 169 | 0 | 0 | 0 | 108.3 | A174 L175 E178 T182 I186 K214 V239 Y240 | A174-I184 WeakPolarHBondContact O-CD1 3.16Å; L175-I184 HydrophobicContact CD2-CB 4.21Å; L175-I184 HydrophobicContact CD2-CD1 3.91Å; L175-I184 HydrophobicContact CD2-CG2 3.97Å; E178-I184 HydrophobicContact CB-CD1 3.9Å; E178-I184 HydrophobicContact CG-CD1 4.35Å; T182-I184 HydrophobicContact CG2-CG1 4.28Å; I184-I186 HydrophobicContact CG2-CD1 4.31Å; I184-I186 HydrophobicContact CG2-CG1 4.02Å; I184-K214 CarbonylContact C-O 3.46Å; I184-K214 WeakPolarHBondContact CA-O 3.36Å; I184-K214 HydrophobicContact CG1-CB 4.27Å; I184-K214 HydrophobicContact CG1-CD 4.38Å; I184-K214 HydrophobicContact CG2-CB 4.41Å; I184-K214 HydrophobicContact CG2-CD 4.36Å; I184-K214 HydrophobicContact CG2-CG 4.44Å; I184-V239 CarbonylContact O-C 3.58Å; I184-V239 WeakPolarHBondContact O-CA 3.44Å; I184-Y240 PolarHBondContact N-O 3.38Å; I184-Y240 PolarHBondContact O-N 3.35Å |
| 185 | M | 96.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 120 | 178.6 | -65.2 | -165.5 | 171.1 | 0 | 0 | 109.5 | L183 V213 K214 F215 C216 L237 L238 V239 L269 L274 L275 | L183-M185 HydrophobicContact CD2-CE 3.44Å; L183-M185 VanDerWaalsContact CD2-CE 3.44Å; L183-M185 HydrophobicContact CD2-CG 3.59Å; L183-M185 HydrophobicContact CD2-SD 4.24Å; M185-V213 HydrophobicContact CG-CG1 3.98Å; M185-V213 HydrophobicContact SD-CG1 4.28Å; M185-K214 PolarHBondContact N-O 3.18Å; M185-F215 HydrophobicContact CB-CD1 3.8Å; M185-F215 HydrophobicContact CB-CE1 4.1Å; M185-F215 HydrophobicContact CG-CD1 4.37Å; M185-F215 HydrophobicContact CG-CE1 4.19Å; M185-F215 CarbonylContact O-C 3.57Å; M185-F215 WeakPolarHBondContact O-CA 3.2Å; M185-F215 HydrophobicContact SD-CD1 4.14Å; M185-F215 HydrophobicContact SD-CE1 3.45Å; M185-F215 WeakPolarHBondContact SD-CE1 3.03Å; M185-F215 HydrophobicContact SD-CZ 4.19Å; M185-C216 PolarHBondContact O-N 2.9Å; M185-L237 HydrophobicContact CB-CD1 4.17Å; M185-L238 CarbonylContact C-O 3.6Å; M185-L238 WeakPolarHBondContact CA-O 3.03Å; M185-V239 HydrophobicContact CE-CG1 4.21Å; M185-V239 HydrophobicContact CE-CG2 4.29Å; M185-V239 HydrophobicContact CG-CG1 4.17Å; M185-V239 HydrophobicContact CG-CG2 4.12Å; M185-L269 HydrophobicContact CE-CD1 3.97Å; M185-L269 HydrophobicContact CE-CD2 4.03Å; M185-L269 HydrophobicContact CE-CG 4.47Å; M185-L269 HydrophobicContact SD-CD1 3.93Å; M185-L274 HydrophobicContact CE-CB 4.15Å; M185-L274 WeakPolarHBondContact CE-O 3.26Å; M185-L275 HydrophobicContact CE-CD2 3.81Å; M185-L275 HydrophobicContact CE-CG 4.29Å |
| 186 | I | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 114.2 | -177.9 | -50.4 | -178.1 | 0 | 0 | 0 | 109.6 | F171 L175 I184 C216 V218 L238 Y240 | F171-I186 HydrophobicContact CD2-CD1 3.72Å; F171-I186 HydrophobicContact CD2-CG2 4.07Å; F171-I186 HydrophobicContact CE2-CB 4.22Å; F171-I186 HydrophobicContact CE2-CD1 3.34Å; F171-I186 HydrophobicContact CE2-CG1 4.35Å; F171-I186 HydrophobicContact CE2-CG2 3.79Å; F171-I186 HydrophobicContact CZ-CD1 3.86Å; L175-I186 HydrophobicContact CD1-CD1 4.42Å; L175-I186 HydrophobicContact CD2-CD1 3.81Å; L175-I186 HydrophobicContact CG-CD1 4.13Å; I184-I186 HydrophobicContact CG2-CD1 4.31Å; I184-I186 HydrophobicContact CG2-CG1 4.02Å; I186-C216 WeakPolarHBondContact CA-O 3.38Å; I186-C216 HydrophobicContact CG1-CB 4.18Å; I186-C216 HydrophobicContact CG2-CB 4.37Å; I186-V218 HydrophobicContact CG2-CB 4.49Å; I186-V218 HydrophobicContact CG2-CG1 3.7Å; I186-L238 PolarHBondContact N-O 2.64Å; I186-L238 PolarHBondContact O-N 3.17Å; I186-Y240 HydrophobicContact CD1-CD2 4.44Å; I186-Y240 HydrophobicContact CD1-CE2 4.39Å |
| 187 | H | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 115.4 | 171.6 | 171.5 | -133.2 | 0 | 0 | 0 | 110.4 | Y189 M199 S200 L203 C216 C217 V218 A236 L237 | H187-Y189 WeakPolarHBondContact CE1-CB 3.41Å; H187-Y189 AromaticContact CE1-CG 3.91Å; H187-M199 WeakPolarHBondContact CD2-CG 3.38Å; H187-M199 VanDerWaalsContact NE2-CG 3.31Å; H187-M199 WeakPolarHBondContact NE2-CG 3.31Å; H187-S200 PolarHBondContact CE1-OG 3.15Å; H187-L203 HydrophobicContact CB-CD1 3.42Å; H187-L203 VanDerWaalsContact CB-CD1 3.42Å; H187-C216 PolarHBondContact N-O 2.82Å; H187-C217 HydrophobicContact CB-CB 4.48Å; H187-C217 CarbonylContact O-C 3.5Å; H187-C217 VanDerWaalsContact O-CA 3.31Å; H187-C217 WeakPolarHBondContact O-CA 3.45Å; H187-V218 PolarHBondContact O-N 2.78Å; H187-A236 WeakPolarHBondContact CA-O 3.46Å; H187-L237 HydrophobicContact CB-CD1 4.33Å |
| 188 | I | 95.6 | Very high | 92.5 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 124.4 | 171.9 | -53.5 | 170.7 | 0 | 0 | 0 | 107.3 | V218 I223 I225 F229 L234 A236 L238 | I188-V218 WeakPolarHBondContact CA-O 3.32Å; I188-V218 HydrophobicContact CB-CG1 4.35Å; I188-V218 HydrophobicContact CG1-CG1 3.81Å; I188-I223 HydrophobicContact CD1-CD1 4.13Å; I188-I223 HydrophobicContact CG1-CD1 4.17Å; I188-I223 HydrophobicContact CG2-CD1 4.04Å; I188-I225 HydrophobicContact CD1-CD1 3.88Å; I188-I225 HydrophobicContact CG2-CD1 4.06Å; I188-F229 HydrophobicContact CD1-CE1 4.48Å; I188-L234 HydrophobicContact CB-CD2 4.1Å; I188-L234 HydrophobicContact CG2-CD2 3.68Å; I188-L234 WeakPolarHBondContact O-CD2 3.47Å; I188-A236 HydrophobicContact CB-CB 4.42Å; I188-A236 PolarHBondContact N-O 2.61Å; I188-A236 PolarHBondContact O-N 2.83Å; I188-L238 HydrophobicContact CD1-CD1 3.61Å; I188-L238 HydrophobicContact CD1-CG 4.01Å |
| 189 | Y | 94.6 | Very high | 92.7 | Very high | 28 Ų | 28 | 40.7 Ų | 40.7 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 162.9 | -170.6 | 82.9 | -83.6 | 0 | 0 | 0 | 113.4 | E164 H187 C217 V218 R219 S220 | E164-Y189 PolarHBondContact OE1-OH 3.04Å; H187-Y189 WeakPolarHBondContact CE1-CB 3.41Å; H187-Y189 AromaticContact CE1-CG 3.91Å; Y189-C217 HydrophobicContact CD1-CB 4.09Å; Y189-C217 HydrophobicContact CE1-CB 3.92Å; Y189-V218 VanDerWaalsContact CD1-O 3.26Å; Y189-V218 WeakPolarHBondContact CD1-O 3.13Å; Y189-V218 PolarHBondContact N-O 3.01Å; Y189-R219 HydrophobicContact CE1-CG 3.92Å; Y189-R219 HydrophobicContact CE2-CG 4.2Å; Y189-R219 CarbonylContact O-C 3.56Å; Y189-R219 WeakPolarHBondContact O-CA 3.38Å; Y189-S220 PolarHBondContact O-N 2.92Å |
| 190 | E | 93.6 | Very high | 93.1 | Very high | 28 Ų | 28 | 38.4 Ų | 38.4 | 13% | 0.131 | 21% | 0.212 | C | C | . | . | trans | -142.7 | 132.1 | 164.4 | -163.1 | 69.5 | -117.3 | 0 | 0 | 107.5 | E192 I193 C196 R219 L234 | E190-E192 PolarHBondContact O-N 3Å; E190-E192 VanDerWaalsContact O-N 3.11Å; E190-I193 HydrophobicContact CB-CD1 4Å; E190-I193 HydrophobicContact CB-CG1 4.29Å; E190-I193 PolarHBondContact O-N 3.18Å; E190-I193 VanDerWaalsContact O-N 3.09Å; E190-C196 PolarHBondContact O-SG 3.26Å; E190-C196 VanDerWaalsContact O-SG 3.37Å; E190-R219 IonicContact OE1-CZ 3.45Å; E190-R219 IonicContact OE1-NE 2.65Å; E190-R219 PolarHBondContact OE1-NE 3.23Å; E190-R219 IonicContact OE1-NH2 3.91Å; E190-R219 PolarHBondContact OE1-NH2 3.27Å; E190-L234 HydrophobicContact CB-CD1 4.04Å | ||
| 191 | P | 90.8 | Very high | 93.4 | Very high | 59 Ų | 59 | 34.7 Ų | 34.7 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -16.3 | -172.9 | 26.3 | -36.5 | 0 | 0 | 0 | 114.3 | I193 R219 | P191-I193 VanDerWaalsContact C-N 3.26Å; P191-R219 VanDerWaalsContact CG-NH2 3.32Å |
| 192 | E | 90.7 | Very high | 93.9 | Very high | 177 Ų | 177 | 31.8 Ų | 31.8 | 83% | 0.827 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -11.4 | 177.9 | -62.4 | 178.6 | 179.3 | 0 | 0 | 112.6 | E190 | E190-E192 PolarHBondContact O-N 3Å; E190-E192 VanDerWaalsContact O-N 3.11Å |
| 193 | I | 90.2 | Very high | 94.2 | Very high | 38 Ų | 38 | 31.5 Ų | 31.5 | 20% | 0.195 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -100.2 | 128.2 | -172.6 | -61.9 | 177.7 | 0 | 0 | 0 | 110.3 | E190 P191 C196 R230 L234 | E190-I193 HydrophobicContact CB-CD1 4Å; E190-I193 HydrophobicContact CB-CG1 4.29Å; E190-I193 PolarHBondContact O-N 3.18Å; E190-I193 VanDerWaalsContact O-N 3.09Å; P191-I193 VanDerWaalsContact C-N 3.26Å; I193-C196 WeakPolarHBondContact O-CB 3.38Å; I193-C196 PolarHBondContact O-N 3.41Å; I193-C196 PolarHBondContact O-SG 3.35Å; I193-R230 WeakPolarHBondContact CD1-O 3.41Å; I193-L234 HydrophobicContact CD1-CB 3.61Å; I193-L234 HydrophobicContact CD1-CD1 3.57Å; I193-L234 HydrophobicContact CD1-CG 4.09Å; I193-L234 HydrophobicContact CG2-CB 4.29Å |
| 194 | P | 91.7 | Very high | 94.3 | Very high | 73 Ų | 73 | 36 Ų | 36 | 47% | 0.474 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 148.2 | 179.7 | 27 | -34.9 | 0 | 0 | 0 | 111.8 | C196 E258 | P194-C196 PolarHBondContact O-N 3.43Å; P194-E258 HydrophobicContact CB-CG 4.32Å |
| 195 | G | 91.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 9% | 0.093 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -16.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | D197 A198 M199 | G195-D197 VanDerWaalsContact C-N 3.32Å; G195-D197 PolarHBondContact O-N 3.37Å; G195-A198 PolarHBondContact O-N 2.89Å; G195-M199 WeakPolarHBondContact O-CB 3.47Å; G195-M199 PolarHBondContact O-N 2.76Å |
| 196 | C | 93.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.7 | -36.5 | 175.1 | -70 | 0 | 0 | 0 | 0 | 112.5 | E190 I193 P194 S200 | E190-C196 PolarHBondContact O-SG 3.26Å; E190-C196 VanDerWaalsContact O-SG 3.37Å; I193-C196 WeakPolarHBondContact O-CB 3.38Å; I193-C196 PolarHBondContact O-N 3.41Å; I193-C196 PolarHBondContact O-SG 3.35Å; P194-C196 PolarHBondContact O-N 3.43Å; C196-S200 WeakPolarHBondContact O-CB 3.38Å; C196-S200 PolarHBondContact O-N 2.85Å; C196-S200 PolarHBondContact O-OG 2.89Å |
| 197 | D | 94.4 | Very high | 94.1 | Very high | 122 Ų | 122 | 38.8 Ų | 38.8 | 65% | 0.652 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -69 | -44.2 | 177.1 | -72.6 | -15.3 | 0 | 0 | 0 | 111.4 | G195 M199 S200 G201 | G195-D197 VanDerWaalsContact C-N 3.32Å; G195-D197 PolarHBondContact O-N 3.37Å; D197-M199 VanDerWaalsContact C-N 3.33Å; D197-M199 PolarHBondContact O-N 2.92Å; D197-S200 PolarHBondContact O-N 3.46Å; D197-G201 PolarHBondContact O-N 3.4Å |
| 198 | A | 94.9 | Very high | 93.8 | Very high | 24 Ų | 24 | 45.2 Ų | 45.2 | 20% | 0.198 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G195 S202 F260 | G195-A198 PolarHBondContact O-N 2.89Å; A198-S202 VanDerWaalsContact O-CB 3.26Å; A198-S202 WeakPolarHBondContact O-CB 3.49Å; A198-S202 PolarHBondContact O-N 3.46Å; A198-S202 PolarHBondContact O-OG 2.94Å; A198-F260 HydrophobicContact CB-CD1 4.07Å; A198-F260 HydrophobicContact CB-CE1 3.92Å; A198-F260 HydrophobicContact CB-CZ 4.27Å |
| 199 | M | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.4 | -47 | 175.1 | -169.7 | 62 | -171.3 | 0 | 0 | 112 | H187 G195 D197 G201 S202 L203 L237 L252 F260 L265 | H187-M199 WeakPolarHBondContact CD2-CG 3.38Å; H187-M199 VanDerWaalsContact NE2-CG 3.31Å; H187-M199 WeakPolarHBondContact NE2-CG 3.31Å; G195-M199 WeakPolarHBondContact O-CB 3.47Å; G195-M199 PolarHBondContact O-N 2.76Å; D197-M199 VanDerWaalsContact C-N 3.33Å; D197-M199 PolarHBondContact O-N 2.92Å; M199-G201 PolarHBondContact O-N 3.39Å; M199-S202 PolarHBondContact O-N 3.28Å; M199-L203 HydrophobicContact CE-CD1 4.13Å; M199-L203 HydrophobicContact CE-CD2 3.99Å; M199-L203 HydrophobicContact CE-CG 4.03Å; M199-L203 WeakPolarHBondContact O-CG 3.37Å; M199-L203 PolarHBondContact O-N 3.42Å; M199-L237 HydrophobicContact CE-CB 4.01Å; M199-L237 HydrophobicContact CE-CD1 3.7Å; M199-L237 HydrophobicContact CE-CD2 3.81Å; M199-L237 HydrophobicContact CE-CG 4.04Å; M199-L252 HydrophobicContact CE-CD1 3.65Å; M199-L252 HydrophobicContact SD-CD1 3.8Å; M199-F260 HydrophobicContact CB-CZ 3.79Å; M199-F260 HydrophobicContact CG-CZ 4.36Å; M199-F260 HydrophobicContact SD-CE2 3.96Å; M199-F260 HydrophobicContact SD-CZ 3.69Å; M199-L265 HydrophobicContact CE-CD1 3.91Å; M199-L265 HydrophobicContact CE-CD2 3.54Å; M199-L265 HydrophobicContact CE-CG 4.38Å; M199-L265 HydrophobicContact SD-CD1 4.01Å; M199-L265 HydrophobicContact SD-CD2 3.55Å; M199-L265 VanDerWaalsContact SD-CD2 3.55Å; M199-L265 HydrophobicContact SD-CG 4.41Å |
| 200 | S | 95.1 | Very high | 93.5 | Very high | 33 Ų | 33 | 48.5 Ų | 48.5 | 23% | 0.231 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 179.9 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | H187 C196 D197 L203 L204 | H187-S200 PolarHBondContact CE1-OG 3.15Å; C196-S200 WeakPolarHBondContact O-CB 3.38Å; C196-S200 PolarHBondContact O-N 2.85Å; C196-S200 PolarHBondContact O-OG 2.89Å; D197-S200 PolarHBondContact O-N 3.46Å; S200-L203 PolarHBondContact O-N 3.25Å; S200-L204 WeakPolarHBondContact O-CG 3.21Å; S200-L204 PolarHBondContact O-N 3.01Å |
| 201 | G | 95 | Very high | 93.4 | Very high | 36 Ų | 36 | 48.6 Ų | 48.6 | 37% | 0.371 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D197 M199 L204 C205 | D197-G201 PolarHBondContact O-N 3.4Å; M199-G201 PolarHBondContact O-N 3.39Å; G201-L204 PolarHBondContact O-N 3.27Å; G201-C205 PolarHBondContact O-N 3.5Å |
| 202 | S | 96.1 | Very high | 93.4 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 177.3 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | A198 M199 L204 C205 L206 A262 | A198-S202 VanDerWaalsContact O-CB 3.26Å; A198-S202 WeakPolarHBondContact O-CB 3.49Å; A198-S202 PolarHBondContact O-N 3.46Å; A198-S202 PolarHBondContact O-OG 2.94Å; M199-S202 PolarHBondContact O-N 3.28Å; S202-L204 VanDerWaalsContact C-N 3.32Å; S202-L204 PolarHBondContact O-N 2.89Å; S202-C205 PolarHBondContact O-N 2.92Å; S202-L206 WeakPolarHBondContact O-CG 3.37Å; S202-L206 PolarHBondContact O-N 3.42Å; S202-A262 PolarHBondContact OG-N 3.25Å |
| 203 | L | 95.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.2 | -32.5 | 177.4 | -71.9 | -172.7 | 0 | 0 | 0 | 113.5 | V162 H187 M199 S200 C205 L206 A207 F215 L265 | V162-L203 HydrophobicContact CG2-CB 4.05Å; V162-L203 WeakPolarHBondContact CG2-O 3.39Å; H187-L203 HydrophobicContact CB-CD1 3.42Å; H187-L203 VanDerWaalsContact CB-CD1 3.42Å; M199-L203 HydrophobicContact CE-CD1 4.13Å; M199-L203 HydrophobicContact CE-CD2 3.99Å; M199-L203 HydrophobicContact CE-CG 4.03Å; M199-L203 WeakPolarHBondContact O-CG 3.37Å; M199-L203 PolarHBondContact O-N 3.42Å; S200-L203 PolarHBondContact O-N 3.25Å; L203-C205 VanDerWaalsContact C-N 3.33Å; L203-C205 PolarHBondContact O-N 3.4Å; L203-L206 HydrophobicContact CD2-CD1 4.32Å; L203-L206 PolarHBondContact O-N 3.18Å; L203-A207 WeakPolarHBondContact O-CB 3.37Å; L203-A207 PolarHBondContact O-N 2.86Å; L203-F215 HydrophobicContact CD2-CD1 3.64Å; L203-F215 HydrophobicContact CD2-CE1 3.83Å; L203-L265 HydrophobicContact CD2-CD2 3.89Å; L203-L265 HydrophobicContact CG-CD2 4.46Å |
| 204 | L | 95.6 | Very high | 93.7 | Very high | 113 Ų | 113 | 38 Ų | 38 | 59% | 0.592 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -62.4 | -41.4 | 174.6 | -71.5 | 169.6 | 0 | 0 | 0 | 111.7 | V162 S200 G201 S202 | V162-L204 HydrophobicContact CB-CD2 4.1Å; V162-L204 HydrophobicContact CG2-CD2 3.86Å; V162-L204 HydrophobicContact CG2-CG 4.33Å; S200-L204 WeakPolarHBondContact O-CG 3.21Å; S200-L204 PolarHBondContact O-N 3.01Å; G201-L204 PolarHBondContact O-N 3.27Å; S202-L204 VanDerWaalsContact C-N 3.32Å; S202-L204 PolarHBondContact O-N 2.89Å |
| 205 | C | 95.1 | Very high | 94 | Very high | 65 Ų | 65 | 34.5 Ų | 34.5 | 44% | 0.439 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.4 | -47.9 | 174.5 | -64 | 0 | 0 | 0 | 0 | 111.2 | G201 S202 L203 A207 H208 E209 A262 | G201-C205 PolarHBondContact O-N 3.5Å; S202-C205 PolarHBondContact O-N 2.92Å; L203-C205 VanDerWaalsContact C-N 3.33Å; L203-C205 PolarHBondContact O-N 3.4Å; C205-A207 VanDerWaalsContact C-N 3.31Å; C205-A207 PolarHBondContact O-N 2.68Å; C205-H208 PolarHBondContact O-N 3.43Å; C205-H208 VanDerWaalsContact O-N 3.11Å; C205-E209 PolarHBondContact O-N 3.29Å; C205-A262 HydrophobicContact CB-CB 3.63Å |
| 206 | L | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.6 | -34 | -178.9 | -68.3 | 176.9 | 0 | 0 | 0 | 113 | S202 L203 H208 E209 Y210 F215 A262 L265 E266 L269 | S202-L206 WeakPolarHBondContact O-CG 3.37Å; S202-L206 PolarHBondContact O-N 3.42Å; L203-L206 HydrophobicContact CD2-CD1 4.32Å; L203-L206 PolarHBondContact O-N 3.18Å; L206-H208 PolarHBondContact O-N 3Å; L206-E209 PolarHBondContact O-N 2.69Å; L206-E209 VanDerWaalsContact O-N 3.15Å; L206-Y210 HydrophobicContact CB-CD2 4.43Å; L206-Y210 HydrophobicContact CD2-CD2 4.07Å; L206-Y210 HydrophobicContact CD2-CE2 3.84Å; L206-Y210 WeakPolarHBondContact O-CB 3.35Å; L206-Y210 PolarHBondContact O-N 3.43Å; L206-F215 HydrophobicContact CB-CE1 4.17Å; L206-F215 HydrophobicContact CB-CE2 4.41Å; L206-F215 HydrophobicContact CB-CZ 3.85Å; L206-A262 HydrophobicContact CG-CB 4.46Å; L206-L265 HydrophobicContact CD1-CB 4.36Å; L206-L265 HydrophobicContact CD1-CD2 3.63Å; L206-L265 HydrophobicContact CD1-CG 3.89Å; L206-E266 HydrophobicContact CD2-CB 3.94Å; L206-E266 HydrophobicContact CD2-CG 4.17Å; L206-L269 HydrophobicContact CD1-CD1 4.32Å |
| 207 | A | 94.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -32.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V162 L203 C205 F215 | V162-A207 HydrophobicContact CG2-CB 3.94Å; L203-A207 WeakPolarHBondContact O-CB 3.37Å; L203-A207 PolarHBondContact O-N 2.86Å; C205-A207 VanDerWaalsContact C-N 3.31Å; C205-A207 PolarHBondContact O-N 2.68Å; A207-F215 VanDerWaalsContact CA-CD2 3.46Å; A207-F215 HydrophobicContact CB-CB 4.32Å; A207-F215 HydrophobicContact CB-CD2 3.7Å; A207-F215 HydrophobicContact CB-CE2 4.35Å; A207-F215 HydrophobicContact CB-CG 4.25Å |
| 208 | H | 91.9 | Very high | 94.4 | Very high | 135 Ų | 135 | 29.2 Ų | 29.2 | 63% | 0.625 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -79.2 | -33.2 | 175.4 | -170 | -80.6 | 0 | 0 | 0 | 112.2 | C205 L206 | C205-H208 PolarHBondContact O-N 3.43Å; C205-H208 VanDerWaalsContact O-N 3.11Å; L206-H208 PolarHBondContact O-N 3Å |
| 209 | E | 91.1 | Very high | 94.3 | Very high | 89 Ų | 89 | 32.5 Ų | 32.5 | 42% | 0.416 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -78.6 | -28.3 | 179.7 | -67.8 | -172.3 | 178.7 | 0 | 0 | 113.7 | C205 L206 P211 K278 | C205-E209 PolarHBondContact O-N 3.29Å; L206-E209 PolarHBondContact O-N 2.69Å; L206-E209 VanDerWaalsContact O-N 3.15Å; E209-P211 VanDerWaalsContact C-CD 3.41Å; E209-P211 VanDerWaalsContact O-CD 3.3Å; E209-P211 WeakPolarHBondContact O-CD 3.49Å; E209-K278 WeakPolarHBondContact OE2-CE 3.12Å; E209-K278 IonicContact OE2-NZ 2.83Å; E209-K278 PolarHBondContact OE2-NZ 2.96Å |
| 210 | Y | 92.5 | Very high | 94.2 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 4% | 0.039 | 18% | 0.176 | C | C | . | . | trans | -120.6 | 71 | -179.8 | -65.3 | -80.2 | 0 | 0 | 0 | 112 | L206 L212 V213 E266 Q270 L275 P276 K278 | L206-Y210 HydrophobicContact CB-CD2 4.43Å; L206-Y210 HydrophobicContact CD2-CD2 4.07Å; L206-Y210 HydrophobicContact CD2-CE2 3.84Å; L206-Y210 WeakPolarHBondContact O-CB 3.35Å; L206-Y210 PolarHBondContact O-N 3.43Å; Y210-L212 PolarHBondContact O-N 3.25Å; Y210-V213 PolarHBondContact O-N 3.12Å; Y210-E266 HydrophobicContact CE2-CG 4.13Å; Y210-E266 PolarHBondContact OH-OE1 3.06Å; Y210-Q270 PolarHBondContact OH-NE2 2.79Å; Y210-Q270 VanDerWaalsContact OH-NE2 3.09Å; Y210-L275 HydrophobicContact CD1-CD2 4.19Å; Y210-L275 HydrophobicContact CD2-CD2 4.04Å; Y210-L275 HydrophobicContact CE1-CB 4.04Å; Y210-L275 HydrophobicContact CE1-CD2 4.27Å; Y210-L275 HydrophobicContact CE1-CG 4.5Å; Y210-L275 HydrophobicContact CE2-CD1 3.82Å; Y210-L275 HydrophobicContact CE2-CD2 4.13Å; Y210-L275 HydrophobicContact CE2-CG 4.46Å; Y210-L275 HydrophobicContact CG-CD2 4.06Å; Y210-P276 VanDerWaalsContact CE1-O 3.29Å; Y210-P276 WeakPolarHBondContact CE1-O 3.4Å; Y210-K278 HydrophobicContact CE1-CG 3.83Å; Y210-K278 VanDerWaalsContact CZ-CE 3.47Å; Y210-K278 VanDerWaalsContact OH-CE 3.29Å; Y210-K278 WeakPolarHBondContact OH-CE 3.48Å | ||
| 211 | P | 90.8 | Very high | 93.9 | Very high | 30 Ų | 30 | 34.5 Ų | 34.5 | 20% | 0.195 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -20.6 | -177.9 | -24.7 | 33.7 | 0 | 0 | 0 | 114.3 | R158 F159 E160 E209 V213 | R158-P211 CarbonylContact C-O 3.54Å; R158-P211 WeakPolarHBondContact CA-O 3.43Å; R158-P211 HydrophobicContact CB-CB 4.1Å; R158-P211 HydrophobicContact CG-CB 4.02Å; F159-P211 PolarHBondContact N-O 2.91Å; E160-P211 HydrophobicContact CG-CB 3.99Å; E160-P211 HydrophobicContact CG-CG 4.35Å; E209-P211 VanDerWaalsContact C-CD 3.41Å; E209-P211 VanDerWaalsContact O-CD 3.3Å; E209-P211 WeakPolarHBondContact O-CD 3.49Å; P211-V213 VanDerWaalsContact C-N 3.31Å |
| 212 | L | 90.9 | Very high | 93.6 | Very high | 41 Ų | 41 | 34.4 Ų | 34.4 | 22% | 0.215 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -7 | -179.6 | -62.5 | 173.9 | 0 | 0 | 0 | 113.1 | C154 R158 Y210 | C154-L212 HydrophobicContact CB-CD1 4.36Å; R158-L212 HydrophobicContact CG-CD2 4.22Å; Y210-L212 PolarHBondContact O-N 3.25Å |
| 213 | V | 93.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.3 | 179.2 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | L183 M185 Y210 P211 F215 L275 P276 | L183-V213 HydrophobicContact CB-CG2 4.43Å; L183-V213 HydrophobicContact CD2-CG1 3.63Å; L183-V213 HydrophobicContact CD2-CG2 4.31Å; M185-V213 HydrophobicContact CG-CG1 3.98Å; M185-V213 HydrophobicContact SD-CG1 4.28Å; Y210-V213 PolarHBondContact O-N 3.12Å; P211-V213 VanDerWaalsContact C-N 3.31Å; V213-F215 HydrophobicContact CB-CD2 4.25Å; V213-F215 HydrophobicContact CB-CE2 3.6Å; V213-F215 HydrophobicContact CB-CZ 3.95Å; V213-F215 HydrophobicContact CG1-CD1 4.41Å; V213-F215 HydrophobicContact CG1-CD2 4.04Å; V213-F215 HydrophobicContact CG1-CE1 4.01Å; V213-F215 HydrophobicContact CG1-CE2 3.58Å; V213-F215 HydrophobicContact CG1-CG 4.45Å; V213-F215 HydrophobicContact CG1-CZ 3.57Å; V213-F215 WeakPolarHBondContact O-CD2 2.94Å; V213-F215 PolarHBondContact O-N 2.95Å; V213-L275 HydrophobicContact CG2-CD2 4.5Å; V213-P276 HydrophobicContact CG2-CG 3.94Å |
| 214 | K | 95.1 | Very high | 92.6 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 107.7 | 176.4 | -176 | 178.3 | 179.6 | -179.5 | 0 | 109.3 | F159 A174 E178 T182 L183 I184 M185 | F159-K214 HydrophobicContact CB-CB 4.45Å; F159-K214 HydrophobicContact CD1-CB 3.97Å; F159-K214 HydrophobicContact CD1-CD 4.11Å; F159-K214 HydrophobicContact CD1-CG 3.79Å; F159-K214 HydrophobicContact CD2-CB 3.87Å; F159-K214 HydrophobicContact CE1-CB 4.14Å; F159-K214 HydrophobicContact CE1-CD 3.82Å; F159-K214 HydrophobicContact CE1-CG 4Å; F159-K214 HydrophobicContact CE2-CB 4.07Å; F159-K214 HydrophobicContact CG-CB 3.84Å; F159-K214 HydrophobicContact CG-CG 4.1Å; F159-K214 HydrophobicContact CZ-CB 4.2Å; F159-K214 HydrophobicContact CZ-CD 4.31Å; A174-K214 PolarHBondContact O-NZ 3.5Å; E178-K214 HydrophobicContact CG-CD 4.23Å; E178-K214 WeakPolarHBondContact OE2-CD 3.31Å; E178-K214 IonicContact OE2-NZ 3Å; E178-K214 PolarHBondContact OE2-NZ 3.27Å; T182-K214 HydrophobicContact CG2-CB 4.19Å; L183-K214 PolarHBondContact O-N 3.3Å; I184-K214 CarbonylContact C-O 3.46Å; I184-K214 WeakPolarHBondContact CA-O 3.36Å; I184-K214 HydrophobicContact CG1-CB 4.27Å; I184-K214 HydrophobicContact CG1-CD 4.38Å; I184-K214 HydrophobicContact CG2-CB 4.41Å; I184-K214 HydrophobicContact CG2-CD 4.36Å; I184-K214 HydrophobicContact CG2-CG 4.44Å; M185-K214 PolarHBondContact N-O 3.18Å |
| 215 | F | 96.8 | Very high | 92 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 130.1 | 174.5 | -64.5 | -85.7 | 0 | 0 | 0 | 110.7 | V162 Q163 M185 L203 L206 A207 V213 | V162-F215 CarbonylContact C-O 3.52Å; V162-F215 WeakPolarHBondContact CA-O 3.46Å; V162-F215 HydrophobicContact CG2-CB 4.02Å; Q163-F215 PolarHBondContact N-O 3.09Å; M185-F215 HydrophobicContact CB-CD1 3.8Å; M185-F215 HydrophobicContact CB-CE1 4.1Å; M185-F215 HydrophobicContact CG-CD1 4.37Å; M185-F215 HydrophobicContact CG-CE1 4.19Å; M185-F215 CarbonylContact O-C 3.57Å; M185-F215 WeakPolarHBondContact O-CA 3.2Å; M185-F215 HydrophobicContact SD-CD1 4.14Å; M185-F215 HydrophobicContact SD-CE1 3.45Å; M185-F215 WeakPolarHBondContact SD-CE1 3.03Å; M185-F215 HydrophobicContact SD-CZ 4.19Å; L203-F215 HydrophobicContact CD2-CD1 3.64Å; L203-F215 HydrophobicContact CD2-CE1 3.83Å; L206-F215 HydrophobicContact CB-CE1 4.17Å; L206-F215 HydrophobicContact CB-CE2 4.41Å; L206-F215 HydrophobicContact CB-CZ 3.85Å; A207-F215 VanDerWaalsContact CA-CD2 3.46Å; A207-F215 HydrophobicContact CB-CB 4.32Å; A207-F215 HydrophobicContact CB-CD2 3.7Å; A207-F215 HydrophobicContact CB-CE2 4.35Å; A207-F215 HydrophobicContact CB-CG 4.25Å; V213-F215 HydrophobicContact CB-CD2 4.25Å; V213-F215 HydrophobicContact CB-CE2 3.6Å; V213-F215 HydrophobicContact CB-CZ 3.95Å; V213-F215 HydrophobicContact CG1-CD1 4.41Å; V213-F215 HydrophobicContact CG1-CD2 4.04Å; V213-F215 HydrophobicContact CG1-CE1 4.01Å; V213-F215 HydrophobicContact CG1-CE2 3.58Å; V213-F215 HydrophobicContact CG1-CG 4.45Å; V213-F215 HydrophobicContact CG1-CZ 3.57Å; V213-F215 WeakPolarHBondContact O-CD2 2.94Å; V213-F215 PolarHBondContact O-N 2.95Å |
| 216 | C | 96.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 154.6 | 175.2 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | Q163 L165 M185 I186 H187 | Q163-C216 CarbonylContact O-C 3.59Å; Q163-C216 WeakPolarHBondContact O-CA 3.43Å; Q163-C216 WeakPolarHBondContact O-CB 3.17Å; L165-C216 HydrophobicContact CD1-CB 3.76Å; L165-C216 HydrophobicContact CG-CB 4.06Å; M185-C216 PolarHBondContact O-N 2.9Å; I186-C216 WeakPolarHBondContact CA-O 3.38Å; I186-C216 HydrophobicContact CG1-CB 4.18Å; I186-C216 HydrophobicContact CG2-CB 4.37Å; H187-C216 PolarHBondContact N-O 2.82Å |
| 217 | C | 95.8 | Very high | 91 | Very high | 19 Ų | 19 | 41 Ų | 41 | 13% | 0.128 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 146 | 167.8 | 61.6 | 0 | 0 | 0 | 0 | 110.1 | V162 Q163 E164 L165 H187 Y189 | V162-C217 HydrophobicContact CG1-CB 4.14Å; Q163-C217 PolarHBondContact O-N 3.32Å; E164-C217 WeakPolarHBondContact CA-O 3.31Å; L165-C217 PolarHBondContact N-O 3.43Å; H187-C217 HydrophobicContact CB-CB 4.48Å; H187-C217 CarbonylContact O-C 3.5Å; H187-C217 VanDerWaalsContact O-CA 3.31Å; H187-C217 WeakPolarHBondContact O-CA 3.45Å; Y189-C217 HydrophobicContact CD1-CB 4.09Å; Y189-C217 HydrophobicContact CE1-CB 3.92Å |
| 218 | V | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 134.7 | -179.5 | 64 | 0 | 0 | 0 | 0 | 109.6 | L165 F171 I186 H187 I188 Y189 A222 I223 | L165-V218 HydrophobicContact CB-CB 4.11Å; L165-V218 HydrophobicContact CB-CG2 4.13Å; F171-V218 HydrophobicContact CD2-CG1 4.39Å; I186-V218 HydrophobicContact CG2-CB 4.49Å; I186-V218 HydrophobicContact CG2-CG1 3.7Å; H187-V218 PolarHBondContact O-N 2.78Å; I188-V218 WeakPolarHBondContact CA-O 3.32Å; I188-V218 HydrophobicContact CB-CG1 4.35Å; I188-V218 HydrophobicContact CG1-CG1 3.81Å; Y189-V218 VanDerWaalsContact CD1-O 3.26Å; Y189-V218 WeakPolarHBondContact CD1-O 3.13Å; Y189-V218 PolarHBondContact N-O 3.01Å; V218-A222 HydrophobicContact CG2-CB 4.3Å; V218-I223 HydrophobicContact CG1-CD1 3.81Å; V218-I223 HydrophobicContact CG2-CD1 4.22Å; V218-I223 HydrophobicContact CG2-CG1 4.4Å; V218-I223 HydrophobicContact CG2-CG2 3.55Å |
| 219 | R | 94 | Very high | 90.3 | Very high | 94 Ų | 94 | 43.5 Ų | 43.5 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 136.1 | 174.1 | -65.9 | -175.3 | 73.8 | 131.9 | -1.5 | 109.3 | Y189 E190 P191 S221 A222 | Y189-R219 HydrophobicContact CE1-CG 3.92Å; Y189-R219 HydrophobicContact CE2-CG 4.2Å; Y189-R219 CarbonylContact O-C 3.56Å; Y189-R219 WeakPolarHBondContact O-CA 3.38Å; E190-R219 IonicContact OE1-CZ 3.45Å; E190-R219 IonicContact OE1-NE 2.65Å; E190-R219 PolarHBondContact OE1-NE 3.23Å; E190-R219 IonicContact OE1-NH2 3.91Å; E190-R219 PolarHBondContact OE1-NH2 3.27Å; P191-R219 VanDerWaalsContact CG-NH2 3.32Å; R219-S221 PolarHBondContact O-N 2.92Å; R219-S221 VanDerWaalsContact O-N 3.08Å; R219-A222 HydrophobicContact CB-CB 4.28Å; R219-A222 WeakPolarHBondContact O-CB 3.43Å; R219-A222 PolarHBondContact O-N 3.39Å |
| 220 | S | 91.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -20.3 | 178.7 | -170.7 | 0 | 0 | 0 | 0 | 113.2 | Y189 R230 | Y189-S220 PolarHBondContact O-N 2.92Å; S220-R230 WeakPolarHBondContact OG-CG 3.26Å |
| 221 | S | 89.4 | Confident | 89.5 | Confident | 75 Ų | 75 | 51.2 Ų | 51.2 | 52% | 0.524 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -22.4 | 172.4 | 51.8 | 0 | 0 | 0 | 0 | 114.4 | R219 I223 | R219-S221 PolarHBondContact O-N 2.92Å; R219-S221 VanDerWaalsContact O-N 3.08Å; S221-I223 VanDerWaalsContact C-N 3.32Å |
| 222 | A | 88 | Confident | 89.4 | Confident | 33 Ų | 33 | 53.5 Ų | 53.5 | 27% | 0.273 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -14.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G166 G168 V218 R219 | G166-A222 WeakPolarHBondContact O-CB 3.28Å; G168-A222 PolarHBondContact N-O 3.35Å; V218-A222 HydrophobicContact CG2-CB 4.3Å; R219-A222 HydrophobicContact CB-CB 4.28Å; R219-A222 WeakPolarHBondContact O-CB 3.43Å; R219-A222 PolarHBondContact O-N 3.39Å |
| 223 | I | 88.3 | Confident | 89.4 | Confident | 20 Ų | 20 | 52 Ų | 52 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | 148.8 | -179 | 56.4 | 178.7 | 0 | 0 | 0 | 110.9 | F171 I188 V218 S221 I225 | F171-I223 HydrophobicContact CB-CG2 4.4Å; I188-I223 HydrophobicContact CD1-CD1 4.13Å; I188-I223 HydrophobicContact CG1-CD1 4.17Å; I188-I223 HydrophobicContact CG2-CD1 4.04Å; V218-I223 HydrophobicContact CG1-CD1 3.81Å; V218-I223 HydrophobicContact CG2-CD1 4.22Å; V218-I223 HydrophobicContact CG2-CG1 4.4Å; V218-I223 HydrophobicContact CG2-CG2 3.55Å; S221-I223 VanDerWaalsContact C-N 3.32Å; I223-I225 HydrophobicContact CD1-CD1 3.23Å; I223-I225 HydrophobicContact CD1-CG1 3.93Å; I223-I225 HydrophobicContact CG1-CD1 3.63Å; I223-I225 HydrophobicContact CG1-CG1 3.84Å; I223-I225 PolarHBondContact O-N 2.86Å |
| 224 | S | 83.3 | Confident | 89.4 | Confident | 139 Ų | 139 | 52.3 Ų | 52.3 | 97% | 0.972 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 70.1 | -175.9 | -61.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 225 | I | 82.8 | Confident | 89.3 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 20% | 0.195 | 30% | 0.296 | C | S | . | . | trans | -107.1 | 146 | -179.8 | -73.9 | -175.7 | 0 | 0 | 0 | 111.2 | I188 I223 F229 R230 | I188-I225 HydrophobicContact CD1-CD1 3.88Å; I188-I225 HydrophobicContact CG2-CD1 4.06Å; I223-I225 HydrophobicContact CD1-CD1 3.23Å; I223-I225 HydrophobicContact CD1-CG1 3.93Å; I223-I225 HydrophobicContact CG1-CD1 3.63Å; I223-I225 HydrophobicContact CG1-CG1 3.84Å; I223-I225 PolarHBondContact O-N 2.86Å; I225-F229 HydrophobicContact CD1-CD1 4.26Å; I225-F229 HydrophobicContact CD1-CE1 4.21Å; I225-F229 HydrophobicContact CG2-CB 3.54Å; I225-F229 HydrophobicContact CG2-CD1 3.38Å; I225-F229 HydrophobicContact CG2-CE1 4.29Å; I225-F229 HydrophobicContact CG2-CG 3.67Å; I225-R230 PolarHBondContact O-NH2 2.9Å | ||
| 226 | S | 86 | Confident | 89.3 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 52% | 0.517 | 30% | 0.296 | S | S | . | . | trans | -61.9 | 147.4 | 179.7 | 73.1 | 0 | 0 | 0 | 0 | 112.1 | L228 F229 R230 | S226-L228 VanDerWaalsContact C-N 3.26Å; S226-L228 PolarHBondContact O-N 2.89Å; S226-F229 PolarHBondContact O-N 2.88Å; S226-F229 VanDerWaalsContact O-N 3.15Å; S226-F229 WeakPolarHBondContact OG-CB 3.39Å; S226-F229 PolarHBondContact OG-N 3.27Å; S226-R230 PolarHBondContact O-N 2.89Å | ||
| 227 | A | 83.3 | Confident | 89.2 | Confident | 51 Ų | 51 | 51.8 Ų | 51.8 | 42% | 0.421 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.3 | -36.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F229 R230 E231 | A227-F229 VanDerWaalsContact C-N 3.29Å; A227-F229 PolarHBondContact O-N 3.08Å; A227-R230 WeakPolarHBondContact O-CB 3.23Å; A227-R230 PolarHBondContact O-N 2.89Å; A227-R230 VanDerWaalsContact O-N 3.14Å; A227-E231 PolarHBondContact O-N 3.46Å; A227-E231 VanDerWaalsContact O-N 3.11Å |
| 228 | L | 84 | Confident | 89.2 | Confident | 140 Ų | 140 | 51.8 Ų | 51.8 | 73% | 0.733 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.4 | -37.3 | 176.4 | -68.7 | 171.9 | 0 | 0 | 0 | 112.6 | S226 S232 | S226-L228 VanDerWaalsContact C-N 3.26Å; S226-L228 PolarHBondContact O-N 2.89Å; L228-S232 WeakPolarHBondContact O-CB 3.31Å; L228-S232 PolarHBondContact O-N 3.41Å |
| 229 | F | 87.1 | Confident | 89.3 | Confident | 49 Ų | 49 | 51.8 Ų | 51.8 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.1 | -39 | 176.3 | -171.8 | -81.1 | 0 | 0 | 0 | 110.9 | I188 I225 S226 A227 E231 A233 L234 A236 V250 | I188-F229 HydrophobicContact CD1-CE1 4.48Å; I225-F229 HydrophobicContact CD1-CD1 4.26Å; I225-F229 HydrophobicContact CD1-CE1 4.21Å; I225-F229 HydrophobicContact CG2-CB 3.54Å; I225-F229 HydrophobicContact CG2-CD1 3.38Å; I225-F229 HydrophobicContact CG2-CE1 4.29Å; I225-F229 HydrophobicContact CG2-CG 3.67Å; S226-F229 PolarHBondContact O-N 2.88Å; S226-F229 VanDerWaalsContact O-N 3.15Å; S226-F229 WeakPolarHBondContact OG-CB 3.39Å; S226-F229 PolarHBondContact OG-N 3.27Å; A227-F229 VanDerWaalsContact C-N 3.29Å; A227-F229 PolarHBondContact O-N 3.08Å; F229-E231 VanDerWaalsContact C-N 3.33Å; F229-E231 PolarHBondContact O-N 2.81Å; F229-A233 HydrophobicContact CB-CB 4.2Å; F229-A233 HydrophobicContact CD1-CB 3.81Å; F229-A233 HydrophobicContact CD2-CB 3.33Å; F229-A233 HydrophobicContact CE1-CB 3.96Å; F229-A233 HydrophobicContact CE2-CB 3.48Å; F229-A233 VanDerWaalsContact CE2-CB 3.48Å; F229-A233 HydrophobicContact CG-CB 3.51Å; F229-A233 HydrophobicContact CZ-CB 3.8Å; F229-A233 WeakPolarHBondContact O-CA 3.43Å; F229-A233 WeakPolarHBondContact O-CB 3.45Å; F229-A233 PolarHBondContact O-N 2.72Å; F229-L234 HydrophobicContact CD1-CD2 4.09Å; F229-L234 HydrophobicContact CE1-CD2 3.67Å; F229-A236 HydrophobicContact CE1-CB 4.15Å; F229-A236 HydrophobicContact CZ-CB 3.8Å; F229-V250 HydrophobicContact CE2-CG2 4.34Å |
| 230 | R | 83.6 | Confident | 89.3 | Confident | 101 Ų | 101 | 48.9 Ų | 48.9 | 38% | 0.381 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 175.3 | -86.3 | -177.3 | -85.7 | 141.5 | -7.8 | 113 | I193 S220 I225 S226 A227 L234 | I193-R230 WeakPolarHBondContact CD1-O 3.41Å; S220-R230 WeakPolarHBondContact OG-CG 3.26Å; I225-R230 PolarHBondContact O-NH2 2.9Å; S226-R230 PolarHBondContact O-N 2.89Å; A227-R230 WeakPolarHBondContact O-CB 3.23Å; A227-R230 PolarHBondContact O-N 2.89Å; A227-R230 VanDerWaalsContact O-N 3.14Å; R230-L234 HydrophobicContact CG-CD1 4.45Å; R230-L234 WeakPolarHBondContact O-CD1 3.44Å |
| 231 | E | 84.3 | Confident | 89.4 | Confident | 161 Ų | 161 | 53.5 Ų | 53.5 | 75% | 0.752 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -79 | -35.9 | -176 | -69.3 | 175.2 | -171.6 | 0 | 0 | 113.2 | A227 F229 | A227-E231 PolarHBondContact O-N 3.46Å; A227-E231 VanDerWaalsContact O-N 3.11Å; F229-E231 VanDerWaalsContact C-N 3.33Å; F229-E231 PolarHBondContact O-N 2.81Å |
| 232 | S | 87.8 | Confident | 89.4 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 54% | 0.538 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -116.4 | -15.3 | -167.6 | -173.9 | 0 | 0 | 0 | 0 | 114.8 | L228 R251 | L228-S232 WeakPolarHBondContact O-CB 3.31Å; L228-S232 PolarHBondContact O-N 3.41Å; S232-R251 WeakPolarHBondContact O-CD 3.13Å; S232-R251 WeakPolarHBondContact O-CG 3.42Å |
| 233 | A | 90.4 | Very high | 89.4 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -8.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F229 V250 R251 | F229-A233 HydrophobicContact CB-CB 4.2Å; F229-A233 HydrophobicContact CD1-CB 3.81Å; F229-A233 HydrophobicContact CD2-CB 3.33Å; F229-A233 HydrophobicContact CE1-CB 3.96Å; F229-A233 HydrophobicContact CE2-CB 3.48Å; F229-A233 VanDerWaalsContact CE2-CB 3.48Å; F229-A233 HydrophobicContact CG-CB 3.51Å; F229-A233 HydrophobicContact CZ-CB 3.8Å; F229-A233 WeakPolarHBondContact O-CA 3.43Å; F229-A233 WeakPolarHBondContact O-CB 3.45Å; F229-A233 PolarHBondContact O-N 2.72Å; A233-V250 HydrophobicContact CB-CG1 3.61Å; A233-V250 WeakPolarHBondContact O-CG1 3.46Å; A233-R251 PolarHBondContact O-N 3.11Å |
| 234 | L | 92.6 | Very high | 89.6 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | trans | -91 | 153.1 | -177.2 | -57.4 | -179.2 | 0 | 0 | 0 | 111.9 | I188 E190 I193 F229 R230 A236 | I188-L234 HydrophobicContact CB-CD2 4.1Å; I188-L234 HydrophobicContact CG2-CD2 3.68Å; I188-L234 WeakPolarHBondContact O-CD2 3.47Å; E190-L234 HydrophobicContact CB-CD1 4.04Å; I193-L234 HydrophobicContact CD1-CB 3.61Å; I193-L234 HydrophobicContact CD1-CD1 3.57Å; I193-L234 HydrophobicContact CD1-CG 4.09Å; I193-L234 HydrophobicContact CG2-CB 4.29Å; F229-L234 HydrophobicContact CD1-CD2 4.09Å; F229-L234 HydrophobicContact CE1-CD2 3.67Å; R230-L234 HydrophobicContact CG-CD1 4.45Å; R230-L234 WeakPolarHBondContact O-CD1 3.44Å; L234-A236 HydrophobicContact CD2-CB 4.27Å | ||
| 235 | P | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | S | Bend | cis | -68.8 | 138.7 | -9.2 | 27.5 | -32.8 | 0 | 0 | 0 | 111.7 | R251 L252 T253 | P235-R251 WeakPolarHBondContact O-CA 3.16Å; P235-R251 PolarHBondContact O-N 3.33Å; P235-L252 PolarHBondContact O-N 2.85Å; P235-L252 VanDerWaalsContact O-N 3.14Å; P235-T253 HydrophobicContact CG-CG2 3.88Å |
| 236 | A | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 141.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | H187 I188 F229 L234 F249 | H187-A236 WeakPolarHBondContact CA-O 3.46Å; I188-A236 HydrophobicContact CB-CB 4.42Å; I188-A236 PolarHBondContact N-O 2.61Å; I188-A236 PolarHBondContact O-N 2.83Å; F229-A236 HydrophobicContact CE1-CB 4.15Å; F229-A236 HydrophobicContact CZ-CB 3.8Å; L234-A236 HydrophobicContact CD2-CB 4.27Å; A236-F249 CarbonylContact C-O 3.56Å; A236-F249 WeakPolarHBondContact CA-O 3.46Å |
| 237 | L | 96.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 118.5 | 174.6 | -175.4 | 71.4 | 0 | 0 | 0 | 109.6 | M185 H187 M199 V239 F249 L252 L269 | M185-L237 HydrophobicContact CB-CD1 4.17Å; H187-L237 HydrophobicContact CB-CD1 4.33Å; M199-L237 HydrophobicContact CE-CB 4.01Å; M199-L237 HydrophobicContact CE-CD1 3.7Å; M199-L237 HydrophobicContact CE-CD2 3.81Å; M199-L237 HydrophobicContact CE-CG 4.04Å; L237-V239 HydrophobicContact CD2-CG2 4.33Å; L237-V239 HydrophobicContact CG-CG2 4.3Å; L237-F249 HydrophobicContact CB-CB 4.22Å; L237-F249 HydrophobicContact CB-CD2 4.39Å; L237-F249 HydrophobicContact CD2-CD2 4.32Å; L237-F249 PolarHBondContact N-O 2.81Å; L237-F249 PolarHBondContact O-N 2.9Å; L237-L252 HydrophobicContact CB-CD1 3.58Å; L237-L252 HydrophobicContact CD2-CD1 4.36Å; L237-L269 HydrophobicContact CD2-CD1 4.42Å; L237-L269 HydrophobicContact CD2-CD2 3.81Å |
| 238 | L | 95.8 | Very high | 91.7 | Very high | 18 Ų | 18 | 55.5 Ų | 55.5 | 9% | 0.094 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 135.5 | 173.1 | -56.2 | -176.9 | 0 | 0 | 0 | 109.3 | F171 M185 I186 I188 Y240 L245 N248 | F171-L238 HydrophobicContact CZ-CD1 4.37Å; M185-L238 CarbonylContact C-O 3.6Å; M185-L238 WeakPolarHBondContact CA-O 3.03Å; I186-L238 PolarHBondContact N-O 2.64Å; I186-L238 PolarHBondContact O-N 3.17Å; I188-L238 HydrophobicContact CD1-CD1 3.61Å; I188-L238 HydrophobicContact CD1-CG 4.01Å; L238-Y240 HydrophobicContact CB-CD2 4.22Å; L238-Y240 HydrophobicContact CB-CE2 3.58Å; L238-Y240 HydrophobicContact CD1-CE2 4.1Å; L238-Y240 HydrophobicContact CG-CE2 4.5Å; L238-L245 HydrophobicContact CB-CD1 4.02Å; L238-L245 HydrophobicContact CD2-CD1 4.26Å; L238-N248 HydrophobicContact CD2-CB 4.22Å; L238-N248 WeakPolarHBondContact CD2-OD1 3.47Å |
| 239 | V | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 120.8 | 179.5 | -172.3 | 0 | 0 | 0 | 0 | 109 | L183 I184 M185 L237 I246 G247 F249 L274 | L183-V239 HydrophobicContact CD1-CG1 4.38Å; L183-V239 HydrophobicContact CD2-CG1 3.76Å; L183-V239 HydrophobicContact CG-CG1 4.07Å; I184-V239 CarbonylContact O-C 3.58Å; I184-V239 WeakPolarHBondContact O-CA 3.44Å; M185-V239 HydrophobicContact CE-CG1 4.21Å; M185-V239 HydrophobicContact CE-CG2 4.29Å; M185-V239 HydrophobicContact CG-CG1 4.17Å; M185-V239 HydrophobicContact CG-CG2 4.12Å; L237-V239 HydrophobicContact CD2-CG2 4.33Å; L237-V239 HydrophobicContact CG-CG2 4.3Å; V239-I246 HydrophobicContact CB-CG1 4.18Å; V239-I246 HydrophobicContact CG1-CD1 3.93Å; V239-I246 HydrophobicContact CG1-CG1 3.81Å; V239-I246 VanDerWaalsContact O-CG1 3.28Å; V239-I246 WeakPolarHBondContact O-CG1 3.46Å; V239-I246 PolarHBondContact O-N 2.88Å; V239-G247 PolarHBondContact N-O 2.83Å; V239-G247 PolarHBondContact O-N 3.19Å; V239-G247 VanDerWaalsContact O-N 3.11Å; V239-F249 HydrophobicContact CG2-CD2 4.4Å; V239-F249 HydrophobicContact CG2-CE2 4.09Å; V239-L274 HydrophobicContact CB-CD1 4.46Å; V239-L274 HydrophobicContact CG1-CD2 4.3Å; V239-L274 HydrophobicContact CG2-CD1 4.14Å |
| 240 | Y | 95.4 | Very high | 92.5 | Very high | 33 Ų | 33 | 50.3 Ų | 50.3 | 13% | 0.129 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 148.2 | -178.7 | -67.7 | -94.8 | 0 | 0 | 0 | 111.4 | F171 L175 I184 I186 L238 D244 L245 | F171-Y240 HydrophobicContact CZ-CE2 4.19Å; L175-Y240 HydrophobicContact CD1-CD1 4.2Å; L175-Y240 HydrophobicContact CD1-CD2 4.31Å; L175-Y240 HydrophobicContact CD1-CE1 4Å; L175-Y240 HydrophobicContact CD1-CE2 4.09Å; L175-Y240 HydrophobicContact CD1-CG 4.35Å; L175-Y240 HydrophobicContact CD2-CD1 4.09Å; L175-Y240 HydrophobicContact CD2-CD2 3.59Å; L175-Y240 HydrophobicContact CD2-CE2 4.17Å; L175-Y240 HydrophobicContact CD2-CG 3.53Å; I184-Y240 PolarHBondContact N-O 3.38Å; I184-Y240 PolarHBondContact O-N 3.35Å; I186-Y240 HydrophobicContact CD1-CD2 4.44Å; I186-Y240 HydrophobicContact CD1-CE2 4.39Å; L238-Y240 HydrophobicContact CB-CD2 4.22Å; L238-Y240 HydrophobicContact CB-CE2 3.58Å; L238-Y240 HydrophobicContact CD1-CE2 4.1Å; L238-Y240 HydrophobicContact CG-CE2 4.5Å; Y240-D244 CarbonylContact C-O 3.55Å; Y240-D244 VanDerWaalsContact CA-O 3.23Å; Y240-D244 WeakPolarHBondContact CA-O 3.2Å; Y240-L245 HydrophobicContact CD1-CB 4.08Å; Y240-L245 HydrophobicContact CD1-CD1 4.22Å; Y240-L245 HydrophobicContact CD2-CD1 4.17Å; Y240-L245 HydrophobicContact CE1-CB 3.77Å; Y240-L245 HydrophobicContact CE1-CD1 3.83Å; Y240-L245 HydrophobicContact CE1-CG 4.37Å; Y240-L245 HydrophobicContact CE2-CD1 3.78Å; Y240-L245 HydrophobicContact CG-CD1 4.39Å |
| 241 | K | 93.1 | Very high | 92.9 | Very high | 98 Ų | 98 | 50.1 Ų | 50.1 | 43% | 0.426 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 126.7 | 170.1 | -174.9 | 174 | 179.9 | 176.2 | 0 | 109.3 | G243 D244 I246 | K241-G243 PolarHBondContact O-N 2.97Å; K241-D244 PolarHBondContact N-O 3.19Å; K241-D244 PolarHBondContact O-N 3.14Å; K241-D244 VanDerWaalsContact O-N 3.08Å; K241-I246 HydrophobicContact CB-CD1 3.84Å; K241-I246 HydrophobicContact CB-CG1 4.45Å; K241-I246 HydrophobicContact CB-CG2 4.35Å |
| 242 | G | 89 | Confident | 93.3 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 40% | 0.402 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 22.5 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | K180 D244 | K180-G242 WeakPolarHBondContact O-CA 3.28Å; K180-G242 PolarHBondContact O-N 3.39Å; G242-D244 VanDerWaalsContact C-N 3.28Å |
| 243 | G | 88.6 | Confident | 93.5 | Very high | 49 Ų | 49 | 40.1 Ų | 40.1 | 51% | 0.505 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -13.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K241 | K241-G243 PolarHBondContact O-N 2.97Š|
| 244 | D | 92.2 | Very high | 93.6 | Very high | 116 Ų | 116 | 44.2 Ų | 44.2 | 62% | 0.62 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 138.6 | 178.8 | -65.9 | -38.4 | 0 | 0 | 0 | 111.3 | Y240 K241 G242 I246 | Y240-D244 CarbonylContact C-O 3.55Å; Y240-D244 VanDerWaalsContact CA-O 3.23Å; Y240-D244 WeakPolarHBondContact CA-O 3.2Å; K241-D244 PolarHBondContact N-O 3.19Å; K241-D244 PolarHBondContact O-N 3.14Å; K241-D244 VanDerWaalsContact O-N 3.08Å; G242-D244 VanDerWaalsContact C-N 3.28Å; D244-I246 PolarHBondContact O-N 2.84Å |
| 245 | L | 94.1 | Very high | 93.4 | Very high | 85 Ų | 85 | 49.1 Ų | 49.1 | 45% | 0.445 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 105.6 | 171.2 | -179.3 | 69.5 | 0 | 0 | 0 | 109.1 | L238 Y240 G247 N248 | L238-L245 HydrophobicContact CB-CD1 4.02Å; L238-L245 HydrophobicContact CD2-CD1 4.26Å; Y240-L245 HydrophobicContact CD1-CB 4.08Å; Y240-L245 HydrophobicContact CD1-CD1 4.22Å; Y240-L245 HydrophobicContact CD2-CD1 4.17Å; Y240-L245 HydrophobicContact CE1-CB 3.77Å; Y240-L245 HydrophobicContact CE1-CD1 3.83Å; Y240-L245 HydrophobicContact CE1-CG 4.37Å; Y240-L245 HydrophobicContact CE2-CD1 3.78Å; Y240-L245 HydrophobicContact CG-CD1 4.39Å; L245-G247 VanDerWaalsContact CD1-O 3.31Å; L245-G247 WeakPolarHBondContact CD1-O 3.5Å; L245-N248 HydrophobicContact CD2-CB 4.32Å |
| 246 | I | 95.1 | Very high | 93.3 | Very high | 82 Ų | 82 | 51 Ų | 51 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -21.4 | -177.2 | 61.4 | 167.8 | 0 | 0 | 0 | 113.2 | L183 V239 K241 D244 L274 | L183-I246 HydrophobicContact CD1-CD1 4.22Å; V239-I246 HydrophobicContact CB-CG1 4.18Å; V239-I246 HydrophobicContact CG1-CD1 3.93Å; V239-I246 HydrophobicContact CG1-CG1 3.81Å; V239-I246 VanDerWaalsContact O-CG1 3.28Å; V239-I246 WeakPolarHBondContact O-CG1 3.46Å; V239-I246 PolarHBondContact O-N 2.88Å; K241-I246 HydrophobicContact CB-CD1 3.84Å; K241-I246 HydrophobicContact CB-CG1 4.45Å; K241-I246 HydrophobicContact CB-CG2 4.35Å; D244-I246 PolarHBondContact O-N 2.84Å; I246-L274 HydrophobicContact CD1-CD2 3.74Å; I246-L274 HydrophobicContact CG1-CD2 4.13Å |
| 247 | G | 94.1 | Very high | 93.1 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 135.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V239 L245 | V239-G247 PolarHBondContact N-O 2.83Å; V239-G247 PolarHBondContact O-N 3.19Å; V239-G247 VanDerWaalsContact O-N 3.11Å; L245-G247 VanDerWaalsContact CD1-O 3.31Å; L245-G247 WeakPolarHBondContact CD1-O 3.5Å |
| 248 | N | 94.9 | Very high | 92.8 | Very high | 92 Ų | 92 | 58.2 Ų | 58.2 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 98.9 | 176.6 | 179.3 | 16.1 | 0 | 0 | 0 | 109.1 | L238 L245 V250 | L238-N248 HydrophobicContact CD2-CB 4.22Å; L238-N248 WeakPolarHBondContact CD2-OD1 3.47Å; L245-N248 HydrophobicContact CD2-CB 4.32Å; N248-V250 WeakPolarHBondContact OD1-CG2 3.14Å |
| 249 | F | 94.6 | Very high | 92.6 | Very high | 17 Ų | 17 | 64.6 Ų | 64.6 | 8% | 0.075 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 111.6 | 179 | -56.2 | -86.5 | 0 | 0 | 0 | 108.7 | A236 L237 V239 L252 L269 Y272 L274 | A236-F249 CarbonylContact C-O 3.56Å; A236-F249 WeakPolarHBondContact CA-O 3.46Å; L237-F249 HydrophobicContact CB-CB 4.22Å; L237-F249 HydrophobicContact CB-CD2 4.39Å; L237-F249 HydrophobicContact CD2-CD2 4.32Å; L237-F249 PolarHBondContact N-O 2.81Å; L237-F249 PolarHBondContact O-N 2.9Å; V239-F249 HydrophobicContact CG2-CD2 4.4Å; V239-F249 HydrophobicContact CG2-CE2 4.09Å; F249-L252 HydrophobicContact CB-CD1 4.18Å; F249-L252 HydrophobicContact CB-CD2 3.79Å; F249-L252 HydrophobicContact CB-CG 3.81Å; F249-L252 HydrophobicContact CD1-CD2 4.35Å; F249-L252 HydrophobicContact CG-CD2 4.24Å; F249-L269 HydrophobicContact CE2-CD2 4.26Å; F249-Y272 AromaticContact CE1-CD2 3.63Å; F249-Y272 HydrophobicContact CE1-CD2 3.63Å; F249-Y272 AromaticContact CE1-CE2 3.61Å; F249-Y272 HydrophobicContact CE1-CE2 3.61Å; F249-Y272 HydrophobicContact CE1-CG 4.13Å; F249-Y272 AromaticContact CZ-CD2 3.82Å; F249-Y272 HydrophobicContact CZ-CD2 3.82Å; F249-Y272 HydrophobicContact CZ-CE2 4.28Å; F249-Y272 AromaticContact CZ-CG 4Å; F249-Y272 HydrophobicContact CZ-CG 4Å; F249-L274 HydrophobicContact CE2-CD1 3.38Å; F249-L274 HydrophobicContact CZ-CD1 3.43Å; F249-L274 VanDerWaalsContact CZ-CD1 3.43Å |
| 250 | V | 93.8 | Very high | 92.6 | Very high | 63 Ų | 63 | 64.9 Ų | 64.9 | 38% | 0.382 | 36% | 0.356 | S | S | . | . | trans | -104.4 | 135.4 | 179.2 | 171.3 | 0 | 0 | 0 | 0 | 107.7 | F229 A233 N248 | F229-V250 HydrophobicContact CE2-CG2 4.34Å; A233-V250 HydrophobicContact CB-CG1 3.61Å; A233-V250 WeakPolarHBondContact O-CG1 3.46Å; N248-V250 WeakPolarHBondContact OD1-CG2 3.14Å | ||
| 251 | R | 92.5 | Very high | 92.6 | Very high | 97 Ų | 97 | 70.7 Ų | 70.7 | 37% | 0.366 | 38% | 0.382 | S | S | . | . | trans | 49 | 62.9 | -176.4 | -56 | 172.8 | 73.1 | -143.9 | -8.8 | 112.3 | S232 A233 P235 T253 D254 | S232-R251 WeakPolarHBondContact O-CD 3.13Å; S232-R251 WeakPolarHBondContact O-CG 3.42Å; A233-R251 PolarHBondContact O-N 3.11Å; P235-R251 WeakPolarHBondContact O-CA 3.16Å; P235-R251 PolarHBondContact O-N 3.33Å; R251-T253 PolarHBondContact O-N 2.95Å; R251-D254 IonicContact CZ-OD1 3.81Å; R251-D254 IonicContact CZ-OD2 3.51Å; R251-D254 IonicContact NE-OD1 2.77Å; R251-D254 IonicContact NE-OD2 3Å; R251-D254 VanDerWaalsContact NH1-CG 3.27Å; R251-D254 IonicContact NH1-OD1 2.64Å; R251-D254 PolarHBondContact NH1-OD1 3.37Å; R251-D254 VanDerWaalsContact NH1-OD1 3.17Å; R251-D254 IonicContact NH1-OD2 3.54Å; R251-D254 PolarHBondContact NH1-OD2 2.85Å; R251-D254 IonicContact NH2-OD1 3.52Å; R251-D254 PolarHBondContact NH2-OD1 3.11Å; R251-D254 IonicContact NH2-OD2 3.17Å; R251-D254 WeakPolarHBondContact O-CB 3.38Å; R251-D254 PolarHBondContact O-N 3.46Å | ||
| 252 | L | 91.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -24 | 177.7 | -88.1 | 165.8 | 0 | 0 | 0 | 113.5 | M199 P235 L237 F249 D254 Q255 L256 L265 L268 | M199-L252 HydrophobicContact CE-CD1 3.65Å; M199-L252 HydrophobicContact SD-CD1 3.8Å; P235-L252 PolarHBondContact O-N 2.85Å; P235-L252 VanDerWaalsContact O-N 3.14Å; L237-L252 HydrophobicContact CB-CD1 3.58Å; L237-L252 HydrophobicContact CD2-CD1 4.36Å; F249-L252 HydrophobicContact CB-CD1 4.18Å; F249-L252 HydrophobicContact CB-CD2 3.79Å; F249-L252 HydrophobicContact CB-CG 3.81Å; F249-L252 HydrophobicContact CD1-CD2 4.35Å; F249-L252 HydrophobicContact CG-CD2 4.24Å; L252-D254 PolarHBondContact O-N 3.09Å; L252-Q255 PolarHBondContact O-N 3.03Å; L252-Q255 VanDerWaalsContact O-N 3.12Å; L252-L256 HydrophobicContact CD2-CD1 4.46Å; L252-L256 PolarHBondContact O-N 2.8Å; L252-L265 HydrophobicContact CD1-CD1 4.43Å; L252-L268 HydrophobicContact CD2-CD2 3.45Å; L252-L268 VanDerWaalsContact CD2-CD2 3.45Å |
| 253 | T | 92 | Very high | 93 | Very high | 25 Ų | 25 | 69.7 Ų | 69.7 | 15% | 0.153 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.3 | -23.4 | 174 | 49.3 | 0 | 0 | 0 | 0 | 114.4 | P235 R251 Q255 G257 | P235-T253 HydrophobicContact CG-CG2 3.88Å; R251-T253 PolarHBondContact O-N 2.95Å; T253-Q255 VanDerWaalsContact C-N 3.27Å; T253-Q255 PolarHBondContact O-N 2.88Å; T253-G257 WeakPolarHBondContact CA-O 3.35Å; T253-G257 CarbonylContact O-C 3.59Å; T253-G257 WeakPolarHBondContact O-CA 3.48Å; T253-G257 PolarHBondContact O-N 2.8Å |
| 254 | D | 92.6 | Very high | 93.4 | Very high | 96 Ų | 96 | 70.8 Ų | 70.8 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.5 | -29.8 | 174.6 | -75.6 | -25.1 | 0 | 0 | 0 | 112.9 | R251 L252 | R251-D254 IonicContact CZ-OD1 3.81Å; R251-D254 IonicContact CZ-OD2 3.51Å; R251-D254 IonicContact NE-OD1 2.77Å; R251-D254 IonicContact NE-OD2 3Å; R251-D254 VanDerWaalsContact NH1-CG 3.27Å; R251-D254 IonicContact NH1-OD1 2.64Å; R251-D254 PolarHBondContact NH1-OD1 3.37Å; R251-D254 VanDerWaalsContact NH1-OD1 3.17Å; R251-D254 IonicContact NH1-OD2 3.54Å; R251-D254 PolarHBondContact NH1-OD2 2.85Å; R251-D254 IonicContact NH2-OD1 3.52Å; R251-D254 PolarHBondContact NH2-OD1 3.11Å; R251-D254 IonicContact NH2-OD2 3.17Å; R251-D254 WeakPolarHBondContact O-CB 3.38Å; R251-D254 PolarHBondContact O-N 3.46Å; L252-D254 PolarHBondContact O-N 3.09Å |
| 255 | Q | 89.7 | Confident | 93.5 | Very high | 110 Ų | 110 | 65.2 Ų | 65.2 | 51% | 0.514 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -97.4 | -41.1 | -176.1 | -63.4 | 180 | 8.1 | 0 | 0 | 111.5 | L252 T253 | L252-Q255 PolarHBondContact O-N 3.03Å; L252-Q255 VanDerWaalsContact O-N 3.12Å; T253-Q255 VanDerWaalsContact C-N 3.27Å; T253-Q255 PolarHBondContact O-N 2.88Å |
| 256 | L | 91.7 | Very high | 93.5 | Very high | 39 Ų | 39 | 62.3 Ų | 62.3 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -100.3 | -14.8 | -173.8 | -59.8 | 178.9 | 0 | 0 | 0 | 113.6 | L252 F260 D264 L265 L268 | L252-L256 HydrophobicContact CD2-CD1 4.46Å; L252-L256 PolarHBondContact O-N 2.8Å; L256-F260 HydrophobicContact CB-CB 3.91Å; L256-F260 HydrophobicContact CB-CD1 3.85Å; L256-F260 HydrophobicContact CB-CD2 4.42Å; L256-F260 HydrophobicContact CB-CE1 4.47Å; L256-F260 HydrophobicContact CB-CG 3.8Å; L256-F260 HydrophobicContact CD1-CD1 4.42Å; L256-F260 HydrophobicContact CD1-CD2 3.8Å; L256-F260 HydrophobicContact CD1-CE2 3.94Å; L256-F260 HydrophobicContact CD1-CG 4.05Å; L256-F260 HydrophobicContact CD1-CZ 4.29Å; L256-D264 HydrophobicContact CD2-CB 4.23Å; L256-L265 HydrophobicContact CD1-CB 4.35Å; L256-L265 HydrophobicContact CD1-CD1 4.13Å; L256-L268 HydrophobicContact CD1-CD2 4.12Å; L256-L268 HydrophobicContact CD2-CB 4.38Å; L256-L268 HydrophobicContact CD2-CD2 4.29Å; L256-L268 HydrophobicContact CG-CD2 4.24Å |
| 257 | G | 92.3 | Very high | 93.5 | Very high | 31 Ų | 31 | 61 Ų | 61 | 32% | 0.32 | 33% | 0.328 | S | S | . | . | trans | 82.1 | -178 | -167.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T253 F260 | T253-G257 WeakPolarHBondContact CA-O 3.35Å; T253-G257 CarbonylContact O-C 3.59Å; T253-G257 WeakPolarHBondContact O-CA 3.48Å; T253-G257 PolarHBondContact O-N 2.8Å; G257-F260 WeakPolarHBondContact O-CD1 3.46Å | ||
| 258 | E | 90 | Very high | 93.5 | Very high | 121 Ų | 121 | 61.2 Ų | 61.2 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -81 | -30.9 | 179.1 | -64.4 | -179.3 | 178.8 | 0 | 0 | 112.4 | P194 | P194-E258 HydrophobicContact CB-CG 4.32Š|
| 259 | D | 91.8 | Very high | 93.4 | Very high | 153 Ų | 153 | 56.9 Ų | 56.9 | 82% | 0.818 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -110.8 | 89.4 | -179.2 | -69.6 | -31.3 | 0 | 0 | 0 | 110.2 | ||
| 260 | F | 95.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | trans | -128.5 | 164.2 | 175.4 | 68.8 | -89.3 | 0 | 0 | 0 | 111.3 | A198 M199 L256 G257 D264 L265 | A198-F260 HydrophobicContact CB-CD1 4.07Å; A198-F260 HydrophobicContact CB-CE1 3.92Å; A198-F260 HydrophobicContact CB-CZ 4.27Å; M199-F260 HydrophobicContact CB-CZ 3.79Å; M199-F260 HydrophobicContact CG-CZ 4.36Å; M199-F260 HydrophobicContact SD-CE2 3.96Å; M199-F260 HydrophobicContact SD-CZ 3.69Å; L256-F260 HydrophobicContact CB-CB 3.91Å; L256-F260 HydrophobicContact CB-CD1 3.85Å; L256-F260 HydrophobicContact CB-CD2 4.42Å; L256-F260 HydrophobicContact CB-CE1 4.47Å; L256-F260 HydrophobicContact CB-CG 3.8Å; L256-F260 HydrophobicContact CD1-CD1 4.42Å; L256-F260 HydrophobicContact CD1-CD2 3.8Å; L256-F260 HydrophobicContact CD1-CE2 3.94Å; L256-F260 HydrophobicContact CD1-CG 4.05Å; L256-F260 HydrophobicContact CD1-CZ 4.29Å; G257-F260 WeakPolarHBondContact O-CD1 3.46Å; F260-D264 HydrophobicContact CB-CB 4.19Å; F260-L265 HydrophobicContact CD2-CB 4.35Å; F260-L265 HydrophobicContact CE2-CB 4.16Å; F260-L265 HydrophobicContact CE2-CD2 4.47Å | ||
| 261 | F | 95.8 | Very high | 93.2 | Very high | 154 Ų | 154 | 65.3 Ų | 65.3 | 68% | 0.675 | 34% | 0.339 | S | S | * | . | trans | -120.2 | 173.7 | -179.1 | -60.3 | -80.8 | 0 | 0 | 0 | 112.3 | V263 D264 L265 | F261-V263 PolarHBondContact O-N 3.08Å; F261-V263 VanDerWaalsContact O-N 3.1Å; F261-D264 PolarHBondContact N-OD2 2.91Å; F261-D264 PolarHBondContact O-N 2.87Å; F261-L265 PolarHBondContact O-N 3.25Å | ||
| 262 | A | 95.7 | Very high | 93.1 | Very high | 15 Ų | 15 | 66.6 Ų | 66.6 | 12% | 0.124 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -52 | -36.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S202 C205 L206 L265 E266 | S202-A262 PolarHBondContact OG-N 3.25Å; C205-A262 HydrophobicContact CB-CB 3.63Å; L206-A262 HydrophobicContact CG-CB 4.46Å; A262-L265 PolarHBondContact O-N 2.88Å; A262-E266 VanDerWaalsContact O-CB 3.26Å; A262-E266 WeakPolarHBondContact O-CB 3.47Å; A262-E266 PolarHBondContact O-N 3.07Å |
| 263 | V | 95.6 | Very high | 93.1 | Very high | 101 Ų | 101 | 69.4 Ų | 69.4 | 61% | 0.612 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.6 | -40.1 | 179.6 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | F261 E266 A267 | F261-V263 PolarHBondContact O-N 3.08Å; F261-V263 VanDerWaalsContact O-N 3.1Å; V263-E266 PolarHBondContact O-N 3.41Å; V263-A267 WeakPolarHBondContact O-CB 3.37Å; V263-A267 PolarHBondContact O-N 2.92Å |
| 264 | D | 95.7 | Very high | 93 | Very high | 72 Ų | 72 | 69 Ų | 69 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.8 | -42.7 | -179.2 | -51.7 | -55.5 | 0 | 0 | 0 | 110.4 | L256 F260 F261 A267 L268 | L256-D264 HydrophobicContact CD2-CB 4.23Å; F260-D264 HydrophobicContact CB-CB 4.19Å; F261-D264 PolarHBondContact N-OD2 2.91Å; F261-D264 PolarHBondContact O-N 2.87Å; D264-A267 PolarHBondContact O-N 2.84Å; D264-L268 PolarHBondContact O-N 2.87Å; D264-L268 VanDerWaalsContact O-N 3.11Å |
| 265 | L | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 174.7 | -179.7 | 61.9 | 0 | 0 | 0 | 112 | M199 L203 L206 L252 L256 F260 F261 A262 L268 L269 | M199-L265 HydrophobicContact CE-CD1 3.91Å; M199-L265 HydrophobicContact CE-CD2 3.54Å; M199-L265 HydrophobicContact CE-CG 4.38Å; M199-L265 HydrophobicContact SD-CD1 4.01Å; M199-L265 HydrophobicContact SD-CD2 3.55Å; M199-L265 VanDerWaalsContact SD-CD2 3.55Å; M199-L265 HydrophobicContact SD-CG 4.41Å; L203-L265 HydrophobicContact CD2-CD2 3.89Å; L203-L265 HydrophobicContact CG-CD2 4.46Å; L206-L265 HydrophobicContact CD1-CB 4.36Å; L206-L265 HydrophobicContact CD1-CD2 3.63Å; L206-L265 HydrophobicContact CD1-CG 3.89Å; L252-L265 HydrophobicContact CD1-CD1 4.43Å; L256-L265 HydrophobicContact CD1-CB 4.35Å; L256-L265 HydrophobicContact CD1-CD1 4.13Å; F260-L265 HydrophobicContact CD2-CB 4.35Å; F260-L265 HydrophobicContact CE2-CB 4.16Å; F260-L265 HydrophobicContact CE2-CD2 4.47Å; F261-L265 PolarHBondContact O-N 3.25Å; A262-L265 PolarHBondContact O-N 2.88Å; L265-L268 PolarHBondContact O-N 3.21Å; L265-L269 HydrophobicContact CD1-CD1 4.12Å; L265-L269 HydrophobicContact CD1-CG 4.24Å; L265-L269 HydrophobicContact CG-CD1 3.97Å; L265-L269 HydrophobicContact CG-CG 4.49Å; L265-L269 WeakPolarHBondContact O-CB 3.48Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.4Å; L265-L269 PolarHBondContact O-N 3.27Å |
| 266 | E | 94.9 | Very high | 92.6 | Very high | 23 Ų | 23 | 62.5 Ų | 62.5 | 11% | 0.107 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 175.1 | -168.9 | -170 | 163.6 | 0 | 0 | 111 | L206 Y210 A262 V263 L268 L269 Q270 L275 K278 | L206-E266 HydrophobicContact CD2-CB 3.94Å; L206-E266 HydrophobicContact CD2-CG 4.17Å; Y210-E266 HydrophobicContact CE2-CG 4.13Å; Y210-E266 PolarHBondContact OH-OE1 3.06Å; A262-E266 VanDerWaalsContact O-CB 3.26Å; A262-E266 WeakPolarHBondContact O-CB 3.47Å; A262-E266 PolarHBondContact O-N 3.07Å; V263-E266 PolarHBondContact O-N 3.41Å; E266-L268 VanDerWaalsContact C-N 3.3Å; E266-L268 PolarHBondContact O-N 3.41Å; E266-L269 PolarHBondContact O-N 3.35Å; E266-Q270 HydrophobicContact CG-CG 4.43Å; E266-Q270 WeakPolarHBondContact O-CB 3.41Å; E266-Q270 WeakPolarHBondContact O-CG 3.44Å; E266-Q270 PolarHBondContact O-N 3.38Å; E266-Q270 PolarHBondContact OE1-NE2 2.77Å; E266-L275 HydrophobicContact CG-CD1 3.89Å; E266-K278 WeakPolarHBondContact OE1-CE 3.38Å; E266-K278 IonicContact OE1-NZ 2.96Å; E266-K278 PolarHBondContact OE1-NZ 3.45Å; E266-K278 IonicContact OE2-NZ 2.68Å; E266-K278 PolarHBondContact OE2-NZ 2.91Å |
| 267 | A | 94.3 | Very high | 92.1 | Very high | 54 Ų | 54 | 67.3 Ų | 67.3 | 45% | 0.446 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V263 D264 Q270 E271 | V263-A267 WeakPolarHBondContact O-CB 3.37Å; V263-A267 PolarHBondContact O-N 2.92Å; D264-A267 PolarHBondContact O-N 2.84Å; A267-Q270 PolarHBondContact O-N 3.08Å; A267-E271 PolarHBondContact O-N 3.18Å |
| 268 | L | 93.6 | Very high | 91.1 | Very high | 15 Ų | 15 | 69.8 Ų | 69.8 | 8% | 0.079 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60 | -51.2 | 175.4 | -173.2 | 70.4 | 0 | 0 | 0 | 111.2 | L252 L256 D264 L265 E266 Q270 E271 Y272 | L252-L268 HydrophobicContact CD2-CD2 3.45Å; L252-L268 VanDerWaalsContact CD2-CD2 3.45Å; L256-L268 HydrophobicContact CD1-CD2 4.12Å; L256-L268 HydrophobicContact CD2-CB 4.38Å; L256-L268 HydrophobicContact CD2-CD2 4.29Å; L256-L268 HydrophobicContact CG-CD2 4.24Å; D264-L268 PolarHBondContact O-N 2.87Å; D264-L268 VanDerWaalsContact O-N 3.11Å; L265-L268 PolarHBondContact O-N 3.21Å; E266-L268 VanDerWaalsContact C-N 3.3Å; E266-L268 PolarHBondContact O-N 3.41Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.43Å; L268-E271 WeakPolarHBondContact O-CB 2.95Å; L268-E271 PolarHBondContact O-N 2.85Å; L268-Y272 HydrophobicContact CD1-CD2 4.36Å; L268-Y272 HydrophobicContact CD1-CE2 3.79Å; L268-Y272 HydrophobicContact CG-CD2 4.33Å; L268-Y272 HydrophobicContact CG-CE2 4.16Å; L268-Y272 WeakPolarHBondContact O-CD2 3.44Å; L268-Y272 PolarHBondContact O-N 3.07Å |
| 269 | L | 93.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.8 | -31.2 | -178.5 | -67.9 | 170.5 | 0 | 0 | 0 | 112.8 | M185 L206 L237 F249 L265 E266 G273 L274 L275 | M185-L269 HydrophobicContact CE-CD1 3.97Å; M185-L269 HydrophobicContact CE-CD2 4.03Å; M185-L269 HydrophobicContact CE-CG 4.47Å; M185-L269 HydrophobicContact SD-CD1 3.93Å; L206-L269 HydrophobicContact CD1-CD1 4.32Å; L237-L269 HydrophobicContact CD2-CD1 4.42Å; L237-L269 HydrophobicContact CD2-CD2 3.81Å; F249-L269 HydrophobicContact CE2-CD2 4.26Å; L265-L269 HydrophobicContact CD1-CD1 4.12Å; L265-L269 HydrophobicContact CD1-CG 4.24Å; L265-L269 HydrophobicContact CG-CD1 3.97Å; L265-L269 HydrophobicContact CG-CG 4.49Å; L265-L269 WeakPolarHBondContact O-CB 3.48Å; L265-L269 VanDerWaalsContact O-CG 3.28Å; L265-L269 WeakPolarHBondContact O-CG 3.4Å; L265-L269 PolarHBondContact O-N 3.27Å; E266-L269 PolarHBondContact O-N 3.35Å; L269-G273 PolarHBondContact O-N 3.2Å; L269-L274 HydrophobicContact CD2-CB 4.41Å; L269-L274 HydrophobicContact CD2-CD1 4.23Å; L269-L274 PolarHBondContact O-N 3.47Å; L269-L275 HydrophobicContact CB-CD1 3.53Å; L269-L275 HydrophobicContact CB-CG 3.74Å; L269-L275 HydrophobicContact CD1-CD1 4.06Å; L269-L275 HydrophobicContact CD1-CG 4.32Å; L269-L275 HydrophobicContact CG-CD1 4.46Å |
| 270 | Q | 92.8 | Very high | 87.7 | Confident | 95 Ų | 95 | 66 Ų | 66 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.7 | -38.8 | 172.7 | -79 | 175.7 | -1.7 | 0 | 0 | 112.4 | Y210 E266 A267 L268 Y272 G273 L275 | Y210-Q270 PolarHBondContact OH-NE2 2.79Å; Y210-Q270 VanDerWaalsContact OH-NE2 3.09Å; E266-Q270 HydrophobicContact CG-CG 4.43Å; E266-Q270 WeakPolarHBondContact O-CB 3.41Å; E266-Q270 WeakPolarHBondContact O-CG 3.44Å; E266-Q270 PolarHBondContact O-N 3.38Å; E266-Q270 PolarHBondContact OE1-NE2 2.77Å; A267-Q270 PolarHBondContact O-N 3.08Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.43Å; Q270-Y272 PolarHBondContact O-N 3.08Å; Q270-G273 PolarHBondContact O-N 3.31Å; Q270-L275 HydrophobicContact CG-CB 4.32Å; Q270-L275 HydrophobicContact CG-CD1 4.29Å |
| 271 | E | 91.7 | Very high | 85.4 | Confident | 161 Ų | 161 | 74 Ų | 74 | 75% | 0.752 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -59.5 | -37 | 176 | -171.1 | 176.6 | -179.1 | 0 | 0 | 111.4 | A267 L268 G273 | A267-E271 PolarHBondContact O-N 3.18Å; L268-E271 WeakPolarHBondContact O-CB 2.95Å; L268-E271 PolarHBondContact O-N 2.85Å; E271-G273 VanDerWaalsContact C-N 3.32Å |
| 272 | Y | 90.8 | Very high | 82.8 | Confident | 124 Ų | 124 | 73 Ų | 73 | 49% | 0.486 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -1.5 | 173.8 | -70.6 | -76.6 | 0 | 0 | 0 | 114.5 | F249 L268 Q270 L274 | F249-Y272 AromaticContact CE1-CD2 3.63Å; F249-Y272 HydrophobicContact CE1-CD2 3.63Å; F249-Y272 AromaticContact CE1-CE2 3.61Å; F249-Y272 HydrophobicContact CE1-CE2 3.61Å; F249-Y272 HydrophobicContact CE1-CG 4.13Å; F249-Y272 AromaticContact CZ-CD2 3.82Å; F249-Y272 HydrophobicContact CZ-CD2 3.82Å; F249-Y272 HydrophobicContact CZ-CE2 4.28Å; F249-Y272 AromaticContact CZ-CG 4Å; F249-Y272 HydrophobicContact CZ-CG 4Å; L268-Y272 HydrophobicContact CD1-CD2 4.36Å; L268-Y272 HydrophobicContact CD1-CE2 3.79Å; L268-Y272 HydrophobicContact CG-CD2 4.33Å; L268-Y272 HydrophobicContact CG-CE2 4.16Å; L268-Y272 WeakPolarHBondContact O-CD2 3.44Å; L268-Y272 PolarHBondContact O-N 3.07Å; Q270-Y272 PolarHBondContact O-N 3.08Å; Y272-L274 VanDerWaalsContact C-N 3.26Å; Y272-L274 PolarHBondContact O-N 3.36Å |
| 273 | G | 90.2 | Very high | 80.1 | Confident | 61 Ų | 61 | 76.9 Ų | 76.9 | 63% | 0.629 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 27.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L269 Q270 E271 | L269-G273 PolarHBondContact O-N 3.2Å; Q270-G273 PolarHBondContact O-N 3.31Å; E271-G273 VanDerWaalsContact C-N 3.32Å |
| 274 | L | 90.7 | Very high | 77.5 | Confident | 16 Ų | 16 | 81.7 Ų | 81.7 | 8% | 0.084 | 46% | 0.457 | C | S | . | . | trans | -94.5 | -5.2 | -176.3 | -63.1 | 177.1 | 0 | 0 | 0 | 113.5 | L183 M185 V239 I246 F249 L269 Y272 | L183-L274 WeakPolarHBondContact CD1-O 3.49Å; M185-L274 HydrophobicContact CE-CB 4.15Å; M185-L274 WeakPolarHBondContact CE-O 3.26Å; V239-L274 HydrophobicContact CB-CD1 4.46Å; V239-L274 HydrophobicContact CG1-CD2 4.3Å; V239-L274 HydrophobicContact CG2-CD1 4.14Å; I246-L274 HydrophobicContact CD1-CD2 3.74Å; I246-L274 HydrophobicContact CG1-CD2 4.13Å; F249-L274 HydrophobicContact CE2-CD1 3.38Å; F249-L274 HydrophobicContact CZ-CD1 3.43Å; F249-L274 VanDerWaalsContact CZ-CD1 3.43Å; L269-L274 HydrophobicContact CD2-CB 4.41Å; L269-L274 HydrophobicContact CD2-CD1 4.23Å; L269-L274 PolarHBondContact O-N 3.47Å; Y272-L274 VanDerWaalsContact C-N 3.26Å; Y272-L274 PolarHBondContact O-N 3.36Å | ||
| 275 | L | 89.2 | Confident | 74.7 | Confident | 15 Ų | 15 | 83.5 Ų | 83.5 | 8% | 0.079 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -109.1 | 137.7 | 172.9 | -73.3 | 171.2 | 0 | 0 | 0 | 110.6 | M185 Y210 V213 E266 L269 Q270 | M185-L275 HydrophobicContact CE-CD2 3.81Å; M185-L275 HydrophobicContact CE-CG 4.29Å; Y210-L275 HydrophobicContact CD1-CD2 4.19Å; Y210-L275 HydrophobicContact CD2-CD2 4.04Å; Y210-L275 HydrophobicContact CE1-CB 4.04Å; Y210-L275 HydrophobicContact CE1-CD2 4.27Å; Y210-L275 HydrophobicContact CE1-CG 4.5Å; Y210-L275 HydrophobicContact CE2-CD1 3.82Å; Y210-L275 HydrophobicContact CE2-CD2 4.13Å; Y210-L275 HydrophobicContact CE2-CG 4.46Å; Y210-L275 HydrophobicContact CG-CD2 4.06Å; V213-L275 HydrophobicContact CG2-CD2 4.5Å; E266-L275 HydrophobicContact CG-CD1 3.89Å; L269-L275 HydrophobicContact CB-CD1 3.53Å; L269-L275 HydrophobicContact CB-CG 3.74Å; L269-L275 HydrophobicContact CD1-CD1 4.06Å; L269-L275 HydrophobicContact CD1-CG 4.32Å; L269-L275 HydrophobicContact CG-CD1 4.46Å; Q270-L275 HydrophobicContact CG-CB 4.32Å; Q270-L275 HydrophobicContact CG-CD1 4.29Å |
| 276 | P | 85.1 | Confident | 72.1 | Confident | 55 Ų | 55 | 90.6 Ų | 90.6 | 36% | 0.357 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 150.2 | 169.2 | -20.8 | 32.3 | 0 | 0 | 0 | 111.2 | Y210 V213 K278 | Y210-P276 VanDerWaalsContact CE1-O 3.29Å; Y210-P276 WeakPolarHBondContact CE1-O 3.4Å; V213-P276 HydrophobicContact CG2-CG 3.94Å; P276-K278 PolarHBondContact O-N 2.89Å |
| 277 | D | 79.4 | Confident | 69.8 | Low | 140 Ų | 140 | 100.2 Ų | 100.2 | 75% | 0.749 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 129.2 | 173.1 | -75.9 | -18 | 0 | 0 | 0 | 110.4 | ||
| 278 | K | 73.3 | Confident | 67.1 | Low | 84 Ų | 84 | 104.9 Ų | 104.9 | 37% | 0.365 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 125.1 | 170.1 | -76.1 | 177.4 | 169.7 | 170.7 | 0 | 107.6 | E209 Y210 E266 P276 A280 | E209-K278 WeakPolarHBondContact OE2-CE 3.12Å; E209-K278 IonicContact OE2-NZ 2.83Å; E209-K278 PolarHBondContact OE2-NZ 2.96Å; Y210-K278 HydrophobicContact CE1-CG 3.83Å; Y210-K278 VanDerWaalsContact CZ-CE 3.47Å; Y210-K278 VanDerWaalsContact OH-CE 3.29Å; Y210-K278 WeakPolarHBondContact OH-CE 3.48Å; E266-K278 WeakPolarHBondContact OE1-CE 3.38Å; E266-K278 IonicContact OE1-NZ 2.96Å; E266-K278 PolarHBondContact OE1-NZ 3.45Å; E266-K278 IonicContact OE2-NZ 2.68Å; E266-K278 PolarHBondContact OE2-NZ 2.91Å; P276-K278 PolarHBondContact O-N 2.89Å; K278-A280 PolarHBondContact O-N 3.19Å; K278-A280 VanDerWaalsContact O-N 3.13Å |
| 279 | P | 58.4 | Low | 64.4 | Low | 104 Ų | 104 | 107.3 Ų | 107.3 | 68% | 0.675 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 127.1 | 169.3 | 25.5 | -31.9 | 0 | 0 | 0 | 106.4 | M281 | P279-M281 VanDerWaalsContact C-N 3.31Å; P279-M281 PolarHBondContact O-N 3.18Å |
| 280 | A | 50.9 | Low | 61.6 | Low | 89 Ų | 89 | 111.8 Ų | 111.8 | 74% | 0.736 | 63% | 0.627 | S | S | * | * | trans | -54.3 | 98.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | K278 V282 | K278-A280 PolarHBondContact O-N 3.19Å; K278-A280 VanDerWaalsContact O-N 3.13Å; A280-V282 VanDerWaalsContact C-N 3.33Å; A280-V282 PolarHBondContact O-N 2.87Å | ||
| 281 | M | 47.7 | Very low | 58.9 | Low | 174 Ų | 174 | 114.7 Ų | 114.7 | 86% | 0.857 | 64% | 0.644 | S | S | * | * | trans | -65.7 | 105 | 170 | -86.2 | -160 | 169.1 | 0 | 0 | 104.6 | P279 S283 | P279-M281 VanDerWaalsContact C-N 3.31Å; P279-M281 PolarHBondContact O-N 3.18Å; M281-S283 VanDerWaalsContact C-N 3.27Å; M281-S283 PolarHBondContact O-N 3.11Å | ||
| 282 | V | 40.7 | Very low | 56.4 | Low | 133 Ų | 133 | 114.2 Ų | 114.2 | 81% | 0.806 | 65% | 0.645 | S | S | * | * | trans | -53.5 | 103.6 | 165.2 | -178.2 | 0 | 0 | 0 | 0 | 104.9 | A280 K284 | A280-V282 VanDerWaalsContact C-N 3.33Å; A280-V282 PolarHBondContact O-N 2.87Å; V282-K284 PolarHBondContact O-N 2.65Å | ||
| 283 | S | 38.3 | Very low | 53.7 | Low | 97 Ų | 97 | 116.4 Ų | 116.4 | 68% | 0.678 | 66% | 0.659 | S | S | * | * | trans | -53.9 | 113.5 | 176.8 | -53.6 | 0 | 0 | 0 | 0 | 105.7 | M281 T285 | M281-S283 VanDerWaalsContact C-N 3.27Å; M281-S283 PolarHBondContact O-N 3.11Å; S283-T285 PolarHBondContact O-N 3.14Å; S283-T285 PolarHBondContact O-OG1 3.21Å | ||
| 284 | K | 40.8 | Very low | 51.1 | Low | 202 Ų | 202 | 118.5 Ų | 118.5 | 88% | 0.878 | 66% | 0.664 | S | S | * | * | trans | -62.9 | 89.5 | 166.8 | -74.8 | -179.7 | -178.8 | 175.2 | 0 | 105.1 | V282 L286 | V282-K284 PolarHBondContact O-N 2.65Å; K284-L286 VanDerWaalsContact C-N 3.29Å; K284-L286 PolarHBondContact O-N 3.37Å | ||
| 285 | T | 37.1 | Very low | 48.4 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | trans | -63.4 | 99.5 | 173.7 | -58.7 | 0 | 0 | 0 | 0 | 105 | S283 R287 | S283-T285 PolarHBondContact O-N 3.14Å; S283-T285 PolarHBondContact O-OG1 3.21Å; T285-R287 HydrophobicContact CG2-CG 4.03Å; T285-R287 PolarHBondContact O-N 3.33Å | ||
| 286 | L | 40.6 | Very low | 46 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | trans | -62.6 | 90.1 | 164 | -81.3 | 161.9 | 0 | 0 | 0 | 106.5 | K284 N288 | K284-L286 VanDerWaalsContact C-N 3.29Å; K284-L286 PolarHBondContact O-N 3.37Å; L286-N288 PolarHBondContact O-N 3.15Å | ||
| 287 | R | 45.5 | Very low | 43.7 | Very low | 226 Ų | 226 | 131.6 Ų | 131.6 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | -73.8 | 79.8 | 165.7 | -77.3 | -172.7 | 176.9 | 173.6 | -0.4 | 108.6 | T285 | T285-R287 HydrophobicContact CG2-CG 4.03Å; T285-R287 PolarHBondContact O-N 3.33Å | ||
| 288 | N | 38.4 | Very low | 41.8 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | -128 | 123.4 | 163.7 | -72 | 5.3 | 0 | 0 | 0 | 106.6 | L286 | L286-N288 PolarHBondContact O-N 3.15Š| ||
| 289 | G | 36.1 | Very low | 40.1 | Very low | 67 Ų | 67 | 137.7 Ų | 137.7 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | cis | -158.4 | 146.7 | -1.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | I291 | G289-I291 PolarHBondContact O-N 3.33Š| ||
| 290 | A | 35.2 | Very low | 39.1 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -69.8 | 115 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | I292 | A290-I292 PolarHBondContact O-N 2.78Å; A290-I292 VanDerWaalsContact O-N 3.14Å | ||
| 291 | I | 37.4 | Very low | 38.9 | Very low | 156 Ų | 156 | 142 Ų | 142 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -70.8 | 101.1 | 163.9 | -64.9 | 168.9 | 0 | 0 | 0 | 106.1 | G289 Q293 | G289-I291 PolarHBondContact O-N 3.33Å; I291-Q293 HydrophobicContact CG2-CG 4.36Å; I291-Q293 PolarHBondContact O-N 2.96Å | ||
| 292 | I | 38.9 | Very low | 39 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | trans | -79.1 | 103.5 | 166.3 | -62.2 | 176.3 | 0 | 0 | 0 | 106.1 | A290 S294 | A290-I292 PolarHBondContact O-N 2.78Å; A290-I292 VanDerWaalsContact O-N 3.14Å; I292-S294 PolarHBondContact O-N 3.47Å | ||
| 293 | Q | 35 | Very low | 39.3 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -69.1 | 105.5 | 162.6 | -76.4 | -179.8 | -3.5 | 0 | 0 | 107.9 | I291 N295 | I291-Q293 HydrophobicContact CG2-CG 4.36Å; I291-Q293 PolarHBondContact O-N 2.96Å; Q293-N295 PolarHBondContact O-N 3.26Å | ||
| 294 | S | 35.1 | Very low | 40 | Very low | 105 Ų | 105 | 145 Ų | 145 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -72.5 | 107.5 | 165.1 | 51.7 | 0 | 0 | 0 | 0 | 109 | I292 A296 | I292-S294 PolarHBondContact O-N 3.47Å; S294-A296 PolarHBondContact O-N 3.49Å; S294-A296 VanDerWaalsContact O-N 3.11Å | ||
| 295 | N | 33.7 | Very low | 40.5 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -65.6 | 103 | 160.2 | -83.4 | -12 | 0 | 0 | 0 | 107.5 | Q293 S297 | Q293-N295 PolarHBondContact O-N 3.26Å; N295-S297 PolarHBondContact O-N 3.48Å | ||
| 296 | A | 37.9 | Very low | 40.8 | Very low | 92 Ų | 92 | 148.5 Ų | 148.5 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | trans | -76.9 | 110.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | S294 | S294-A296 PolarHBondContact O-N 3.49Å; S294-A296 VanDerWaalsContact O-N 3.11Å | ||
| 297 | S | 36.9 | Very low | 40.9 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | -80.2 | 114.6 | 167.9 | 47.3 | 0 | 0 | 0 | 0 | 108.8 | N295 E299 | N295-S297 PolarHBondContact O-N 3.48Å; S297-E299 PolarHBondContact O-N 3.05Å | ||
| 298 | D | 40.1 | Very low | 40.6 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | trans | -66 | 108.3 | 167.1 | -76.2 | -36.7 | 0 | 0 | 0 | 110.1 | ||||
| 299 | E | 37.6 | Very low | 40.7 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -151.6 | 83.1 | 155.2 | -72.9 | -160.4 | 157.1 | 0 | 0 | 109.3 | S297 | S297-E299 PolarHBondContact O-N 3.05Š| ||
| 300 | D | 36.6 | Very low | 41 | Very low | 182 Ų | 182 | 148.5 Ų | 148.5 | 97% | 0.973 | 84% | 0.836 | S | S | * | * | trans | -104.6 | 104.6 | 163.6 | -90.9 | -22.3 | 0 | 0 | 0 | 108.5 | ||||
| 301 | S | 47.5 | Very low | 41.4 | Very low | 103 Ų | 103 | 151.9 Ų | 151.9 | 72% | 0.72 | 84% | 0.839 | S | S | * | * | trans | -123.5 | 113.5 | 168.3 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 302 | D | 49.1 | Very low | 41.6 | Very low | 139 Ų | 139 | 151.6 Ų | 151.6 | 74% | 0.743 | 84% | 0.842 | S | S | * | * | trans | 54.5 | 125.4 | 150.4 | -56.8 | -21.7 | 0 | 0 | 0 | 120.3 | ||||
| 303 | L | 48.4 | Very low | 41.8 | Very low | 178 Ų | 178 | 151.6 Ų | 151.6 | 93% | 0.932 | 85% | 0.847 | S | S | * | * | -165.6 | 115.8 | 119.9 | -96.1 | 171.1 | 0 | 0 | 0 | 110.9 | |||||
| 304 | D | 52.3 | Low | 42.4 | Very low | 149 Ų | 149 | 150.3 Ų | 150.3 | 80% | 0.797 | 85% | 0.851 | S | S | * | * | trans | -58.4 | 154.3 | 168.7 | -66.9 | -57.3 | 0 | 0 | 0 | 113.3 | ||||
| 305 | I | 50 | Low | 43 | Very low | 158 Ų | 158 | 154.1 Ų | 154.1 | 81% | 0.81 | 86% | 0.861 | S | S | * | * | trans | -164.9 | 125.1 | 132.2 | -105.5 | 159.1 | 0 | 0 | 0 | 111.7 | ||||
| 306 | D | 45.4 | Very low | 43.8 | Very low | 227 Ų | 227 | 153.8 Ų | 153.8 | 100% | 1.214 | 86% | 0.863 | S | S | * | * | trans | 52.7 | 0 | 155.8 | -60.9 | -20.5 | 0 | 0 | 0 | 122.6 |
Retrieved 306 of 306 residues in 134.4 ms
(Link to these results)