| 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 | 35.2 | Very low | 30.8 | Very low | 231 Ų | 231 | 171.4 Ų | 171.4 | 100% | 1.138 | 78% | 0.782 | S | S | * | * | 0 | 38.2 | 0 | -66.4 | -178.3 | -141.5 | 0 | 0 | 109.9 | |||||
| 2 | S | 24.8 | Very low | 30.9 | Very low | 71 Ų | 71 | 165.9 Ų | 165.9 | 50% | 0.497 | 78% | 0.779 | S | S | . | * | 61.3 | 102 | 68.3 | 64.6 | 0 | 0 | 0 | 0 | 110.4 | L4 | S2-L4 PolarHBondContact O-N 3.23Š| |||
| 3 | Q | 28.5 | Very low | 31.1 | Very low | 183 Ų | 183 | 166.9 Ų | 166.9 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | S | Bend | 59.8 | -1.4 | 86.5 | -68.3 | -147.9 | -7.6 | 0 | 0 | 115.5 | |||
| 4 | L | 30.8 | Very low | 31 | Very low | 127 Ų | 127 | 171.1 Ų | 171.1 | 67% | 0.665 | 79% | 0.788 | S | S | * | * | trans | -80 | -25.6 | 175.7 | -86.6 | 150.2 | 0 | 0 | 0 | 112.5 | S2 | S2-L4 PolarHBondContact O-N 3.23Š| ||
| 5 | W | 31.2 | Very low | 31.1 | Very low | 234 Ų | 234 | 171.4 Ų | 171.4 | 89% | 0.886 | 80% | 0.797 | S | S | * | * | H | α-helix | trans | -73.2 | -29 | -176.7 | -98.6 | 77.8 | 0 | 0 | 0 | 114.5 | ||
| 6 | W | 29.7 | Very low | 30.9 | Very low | 223 Ų | 223 | 165 Ų | 165 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | H | α-helix | trans | -80.4 | -19.8 | -179.5 | -92.8 | 93.4 | 0 | 0 | 0 | 114.2 | ||
| 7 | R | 30.4 | Very low | 30.8 | Very low | 209 Ų | 209 | 162.7 Ų | 162.7 | 79% | 0.789 | 80% | 0.797 | S | S | * | * | H | α-helix | trans | -85.8 | -26 | 177.8 | -96.4 | -179.7 | 170.2 | 173.5 | -2.9 | 113.5 | K9 | R7-K9 PolarHBondContact O-N 2.88Å |
| 8 | A | 34.5 | Very low | 30.7 | Very low | 73 Ų | 73 | 162.7 Ų | 162.7 | 60% | 0.603 | 80% | 0.801 | S | S | * | * | H | α-helix | trans | -70.2 | -29.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R10 | A8-R10 PolarHBondContact O-N 2.98Å |
| 9 | K | 33.1 | Very low | 30.8 | Very low | 182 Ų | 182 | 160 Ų | 160 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -19.9 | -177.1 | -138.9 | 175.2 | -172.6 | -177.8 | 0 | 114 | R7 | R7-K9 PolarHBondContact O-N 2.88Š|
| 10 | R | 30.5 | Very low | 31.5 | Very low | 210 Ų | 210 | 157.4 Ų | 157.4 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -5.1 | -174.8 | -148.3 | -176.8 | -90.2 | -162.3 | -5.1 | 114 | A8 | A8-R10 PolarHBondContact O-N 2.98Š|
| 11 | L | 30.1 | Very low | 31.4 | Very low | 142 Ų | 142 | 158 Ų | 158 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -102 | -10.4 | -178.2 | -98.7 | 154.7 | 0 | 0 | 0 | 114 | ||
| 12 | S | 31.6 | Very low | 31.1 | Very low | 106 Ų | 106 | 150.8 Ų | 150.8 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -9.8 | -177.5 | -171.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 13 | E | 34.1 | Very low | 31.2 | Very low | 179 Ų | 179 | 155.3 Ų | 155.3 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 14.9 | -176.7 | -76.7 | -179 | 137.6 | 0 | 0 | 113.7 | ||
| 14 | R | 29.2 | Very low | 31.9 | Very low | 225 Ų | 225 | 151.6 Ų | 151.6 | 85% | 0.849 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -117.7 | 14.2 | -173.2 | -118.8 | -177.9 | -170.9 | -135.6 | 1.4 | 116.5 | ||
| 15 | L | 32.3 | Very low | 32.4 | Very low | 176 Ų | 176 | 151.6 Ų | 151.6 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -125.9 | 100.1 | 167.3 | -99 | 93.2 | 0 | 0 | 0 | 109.8 | ||||
| 16 | G | 28.9 | Very low | 32.3 | Very low | 69 Ų | 69 | 144 Ų | 144 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | -169 | 94.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 17 | S | 29.4 | Very low | 32.2 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | trans | 60.8 | 108.8 | 157.7 | 60.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 18 | D | 28.4 | Very low | 32.8 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -106.7 | 146.1 | 161.2 | -108.2 | -27.5 | 0 | 0 | 0 | 110.7 | ||||
| 19 | S | 33.1 | Very low | 32.6 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | 100.2 | 151.3 | 159.4 | -48.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 20 | P | 43.5 | Very low | 32.3 | Very low | 108 Ų | 108 | 138 Ų | 138 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | -136.1 | 168.6 | -50 | 37.1 | -21.5 | 0 | 0 | 0 | 111.6 | |||||
| 21 | D | 30.5 | Very low | 32.2 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | trans | -178.2 | 125.3 | 140.6 | -91.8 | -25 | 0 | 0 | 0 | 114.5 | ||||
| 22 | G | 28.5 | Very low | 32 | Very low | 80 Ų | 80 | 132 Ų | 132 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | 60.2 | 107.9 | 131.4 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 23 | L | 27.7 | Very low | 32.5 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -80.8 | -179.6 | 157.1 | -122.5 | 84.7 | 0 | 0 | 0 | 111.4 | ||||
| 24 | P | 42.6 | Very low | 32.1 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 68% | 0.675 | 81% | 0.812 | S | S | * | * | cis | -139.5 | -142.7 | -25.9 | 31.1 | -4.8 | 0 | 0 | 0 | 113 | ||||
| 25 | P | 41.5 | Very low | 31.9 | Very low | 127 Ų | 127 | 126 Ų | 126 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | -121.6 | 169.6 | -87.7 | 38.6 | -20.6 | 0 | 0 | 0 | 114.8 | |||||
| 26 | G | 28.6 | Very low | 31.9 | Very low | 75 Ų | 75 | 123 Ų | 123 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -168.6 | 136.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 27 | F | 27.1 | Very low | 31.9 | Very low | 212 Ų | 212 | 127.2 Ų | 127.2 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | trans | -83.4 | -176.8 | -165.9 | -94.7 | -73.2 | 0 | 0 | 0 | 115.2 | ||||
| 28 | P | 44 | Very low | 32.3 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -107 | 172 | -139.3 | 43.5 | -33.8 | 0 | 0 | 0 | 115.3 | ||||
| 29 | S | 29.6 | Very low | 32.3 | Very low | 116 Ų | 116 | 124 Ų | 124 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -162.1 | 114.9 | 161.2 | -69 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 30 | T | 26.2 | Very low | 32.4 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | 77.3 | 104.5 | 75.8 | -52.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 31 | V | 29 | Very low | 31.9 | Very low | 138 Ų | 138 | 129.3 Ų | 129.3 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | 48.6 | 125.8 | 136 | -171 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 32 | A | 27.1 | Very low | 32 | Very low | 87 Ų | 87 | 127.1 Ų | 127.1 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | 177.4 | 178.5 | 59.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 33 | P | 42.1 | Very low | 32.3 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -104.1 | -171.6 | -156.6 | 42.2 | -35.9 | 0 | 0 | 0 | 116.1 | ||||
| 34 | Q | 24.6 | Very low | 32.7 | Very low | 199 Ų | 199 | 127.4 Ų | 127.4 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | trans | 100 | 132.3 | 177.4 | -61.1 | -177.4 | 12.4 | 0 | 0 | 113.7 | ||||
| 35 | G | 25.8 | Very low | 32.3 | Very low | 69 Ų | 69 | 129.5 Ų | 129.5 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | cis | -165.7 | 162.4 | 10.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 36 | S | 32.6 | Very low | 32 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -47.3 | 126.3 | 175.9 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 37 | N | 28.9 | Very low | 32.1 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -132.8 | 103.9 | 147.8 | -88.1 | -23.7 | 0 | 0 | 0 | 108.5 | S39 | N37-S39 PolarHBondContact O-N 3.04Š| ||
| 38 | S | 36.7 | Very low | 32.2 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -54.9 | 109.5 | 169.5 | 47.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 39 | S | 28.3 | Very low | 32.1 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -110.9 | 118.1 | 153.1 | 50.1 | 0 | 0 | 0 | 0 | 107.7 | N37 A41 | N37-S39 PolarHBondContact O-N 3.04Å; S39-A41 VanDerWaalsContact C-N 3.3Å; S39-A41 PolarHBondContact O-N 3.2Å | ||
| 40 | W | 35.6 | Very low | 32.4 | Very low | 256 Ų | 256 | 136.3 Ų | 136.3 | 97% | 0.97 | 78% | 0.777 | S | S | * | * | trans | -63.5 | 88.9 | 173.6 | -80.4 | 76.7 | 0 | 0 | 0 | 109.4 | ||||
| 41 | A | 32.7 | Very low | 33.2 | Very low | 74 Ų | 74 | 138.3 Ų | 138.3 | 61% | 0.612 | 78% | 0.777 | S | S | * | * | trans | -91.4 | 130.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | S39 I43 | S39-A41 VanDerWaalsContact C-N 3.3Å; S39-A41 PolarHBondContact O-N 3.2Å; A41-I43 PolarHBondContact O-N 2.78Å | ||
| 42 | P | 33.7 | Very low | 33.9 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -61.9 | 115.9 | 168.2 | 3.3 | 6.9 | 0 | 0 | 0 | 106.9 | P44 | P42-P44 WeakPolarHBondContact O-CD 3.33Å; P42-P44 VanDerWaalsContact O-N 3.15Å | ||
| 43 | I | 35.1 | Very low | 35.4 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | -53.6 | 119.4 | 170.2 | -61.7 | 163.6 | 0 | 0 | 0 | 106 | A41 L45 | A41-I43 PolarHBondContact O-N 2.78Å; I43-L45 PolarHBondContact O-N 2.76Å | ||
| 44 | P | 35.5 | Very low | 36.7 | Very low | 106 Ų | 106 | 137 Ų | 137 | 69% | 0.688 | 74% | 0.735 | S | S | * | * | trans | -62.4 | 112.8 | 164.6 | -8.2 | 23.2 | 0 | 0 | 0 | 104.4 | P42 V46 | P42-P44 WeakPolarHBondContact O-CD 3.33Å; P42-P44 VanDerWaalsContact O-N 3.15Å; P44-V46 PolarHBondContact O-N 2.97Å | ||
| 45 | L | 33.2 | Very low | 38.7 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 78% | 0.775 | 69% | 0.692 | S | S | * | * | trans | -56.7 | 98.6 | 167.2 | -80 | 169 | 0 | 0 | 0 | 106 | I43 F47 | I43-L45 PolarHBondContact O-N 2.76Å; L45-F47 PolarHBondContact O-N 3.07Å | ||
| 46 | V | 35.8 | Very low | 40.6 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 79% | 0.788 | 68% | 0.681 | S | S | * | * | trans | -67.3 | 84.4 | 167.2 | 177.9 | 0 | 0 | 0 | 0 | 105.1 | P44 R48 | P44-V46 PolarHBondContact O-N 2.97Å; V46-R48 PolarHBondContact O-N 3.25Å | ||
| 47 | F | 31.1 | Very low | 42.8 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 68% | 0.68 | 66% | 0.655 | S | S | * | * | trans | -57.8 | 116.5 | 164.6 | -116.3 | -94.7 | 0 | 0 | 0 | 106.1 | L45 P49 | L45-F47 PolarHBondContact O-N 3.07Å; F47-P49 WeakPolarHBondContact O-CD 3.48Å | ||
| 48 | R | 29.8 | Very low | 45 | Very low | 218 Ų | 218 | 122.2 Ų | 122.2 | 82% | 0.823 | 64% | 0.644 | S | S | * | * | trans | -56.6 | 126.3 | 176 | -81.7 | -177 | 173.9 | -179.3 | -1.4 | 108.8 | V46 E50 | V46-R48 PolarHBondContact O-N 3.25Å; R48-E50 PolarHBondContact O-N 3.27Å | ||
| 49 | P | 40 | Very low | 47.2 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 78% | 0.779 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -82.7 | 65.1 | 175.8 | 34.1 | -32.6 | 0 | 0 | 0 | 109.7 | F47 | F47-P49 WeakPolarHBondContact O-CD 3.48Š|
| 50 | E | 37.1 | Very low | 49.7 | Very low | 159 Ų | 159 | 115.6 Ų | 115.6 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | trans | -158.6 | 44.5 | 173.1 | -85.5 | -61.6 | 156.5 | 0 | 0 | 109.7 | R48 | R48-E50 PolarHBondContact O-N 3.27Š| ||
| 51 | E | 42.5 | Very low | 51.9 | Low | 166 Ų | 166 | 105.9 Ų | 105.9 | 78% | 0.776 | 56% | 0.56 | S | S | * | * | trans | -93.8 | 95.2 | 157.9 | -76.7 | -163.2 | 171.4 | 0 | 0 | 107.3 | F53 | E51-F53 PolarHBondContact O-N 3.31Š| ||
| 52 | Q | 44.3 | Very low | 54.5 | Low | 155 Ų | 155 | 107.2 Ų | 107.2 | 72% | 0.724 | 56% | 0.56 | S | S | * | * | trans | -50.7 | 116.4 | 163 | -71.1 | 178.4 | -14.3 | 0 | 0 | 107.4 | F54 | Q52-F54 PolarHBondContact O-N 3.48Å; Q52-F54 VanDerWaalsContact O-N 3.07Å | ||
| 53 | F | 59 | Low | 57.2 | Low | 56 Ų | 56 | 105 Ų | 105 | 25% | 0.246 | 54% | 0.541 | C | S | . | . | trans | -44 | 120 | 176.2 | -101.9 | -88.8 | 0 | 0 | 0 | 109.8 | E51 L55 M56 T57 I292 V304 | E51-F53 PolarHBondContact O-N 3.31Å; F53-L55 PolarHBondContact O-N 3.29Å; F53-L55 VanDerWaalsContact O-N 3.12Å; F53-M56 HydrophobicContact CB-CB 3.81Å; F53-M56 HydrophobicContact CB-CG 3.95Å; F53-M56 WeakPolarHBondContact O-CA 3.44Å; F53-M56 PolarHBondContact O-N 3.15Å; F53-T57 PolarHBondContact O-N 3.14Å; F53-T57 PolarHBondContact O-OG1 3.18Å; F53-I292 HydrophobicContact CD2-CD1 4.09Å; F53-I292 HydrophobicContact CE1-CD1 4.14Å; F53-I292 HydrophobicContact CE2-CB 4.01Å; F53-I292 HydrophobicContact CE2-CD1 3.21Å; F53-I292 HydrophobicContact CE2-CG1 4.16Å; F53-I292 HydrophobicContact CE2-CG2 4.04Å; F53-I292 HydrophobicContact CZ-CB 4.3Å; F53-I292 HydrophobicContact CZ-CD1 3.25Å; F53-I292 HydrophobicContact CZ-CG1 4.26Å; F53-V304 HydrophobicContact CE1-CB 4.2Å; F53-V304 HydrophobicContact CE1-CG1 3.63Å; F53-V304 HydrophobicContact CE1-CG2 3.58Å; F53-V304 HydrophobicContact CZ-CG1 4.31Å; F53-V304 HydrophobicContact CZ-CG2 3.53Å | ||
| 54 | F | 69.6 | Low | 59.7 | Low | 103 Ų | 103 | 98.1 Ų | 98.1 | 45% | 0.452 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -52.2 | -38.3 | 179.1 | 175.7 | -100.9 | 0 | 0 | 0 | 111.5 | Q52 M56 T57 A60 Y308 F311 | Q52-F54 PolarHBondContact O-N 3.48Å; Q52-F54 VanDerWaalsContact O-N 3.07Å; F54-M56 PolarHBondContact O-N 3.43Å; F54-T57 WeakPolarHBondContact O-CB 3.14Å; F54-T57 PolarHBondContact O-N 3.21Å; F54-T57 PolarHBondContact O-OG1 3.47Å; F54-A60 HydrophobicContact CE1-CB 4.28Å; F54-A60 HydrophobicContact CZ-CB 4.48Å; F54-A60 WeakPolarHBondContact O-CB 3.47Å; F54-Y308 HydrophobicContact CD1-CE1 4.35Å; F54-F311 HydrophobicContact CE1-CE1 4.24Å; F54-F311 HydrophobicContact CE1-CZ 4.27Å |
| 55 | L | 66.3 | Low | 62.3 | Low | 6 Ų | 6 | 93.4 Ų | 93.4 | 3% | 0.031 | 48% | 0.476 | C | S | . | . | G | 310 helix | trans | -67.6 | -28.8 | 176.6 | -66.7 | 170.3 | 0 | 0 | 0 | 114.5 | F53 T57 L113 F116 Y308 F311 | F53-L55 PolarHBondContact O-N 3.29Å; F53-L55 VanDerWaalsContact O-N 3.12Å; L55-T57 VanDerWaalsContact C-N 3.32Å; L55-L113 HydrophobicContact CD2-CD2 4.4Å; L55-F116 HydrophobicContact CB-CE2 4.27Å; L55-F116 HydrophobicContact CB-CZ 4.33Å; L55-F116 HydrophobicContact CD1-CZ 4.18Å; L55-Y308 HydrophobicContact CD1-CD1 4Å; L55-Y308 HydrophobicContact CD1-CD2 3.59Å; L55-Y308 HydrophobicContact CD1-CE1 4.06Å; L55-Y308 HydrophobicContact CD1-CE2 3.66Å; L55-Y308 HydrophobicContact CD1-CG 3.76Å; L55-Y308 HydrophobicContact CD2-CD1 4Å; L55-Y308 HydrophobicContact CD2-CE1 4.17Å; L55-Y308 HydrophobicContact CD2-CG 4.43Å; L55-Y308 HydrophobicContact CG-CD1 4.09Å; L55-Y308 HydrophobicContact CG-CD2 4.47Å; L55-Y308 HydrophobicContact CG-CE1 3.9Å; L55-Y308 HydrophobicContact CG-CE2 4.3Å; L55-Y308 HydrophobicContact CG-CG 4.37Å; L55-F311 HydrophobicContact CD2-CB 3.73Å; L55-F311 HydrophobicContact CD2-CG 4.14Å |
| 56 | M | 64.2 | Low | 65.1 | Low | 99 Ų | 99 | 93 Ų | 93 | 49% | 0.488 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -85.8 | -6.2 | 175.7 | -78.5 | -83.6 | 170.8 | 0 | 0 | 112.4 | F53 F54 F116 | F53-M56 HydrophobicContact CB-CB 3.81Å; F53-M56 HydrophobicContact CB-CG 3.95Å; F53-M56 WeakPolarHBondContact O-CA 3.44Å; F53-M56 PolarHBondContact O-N 3.15Å; F54-M56 PolarHBondContact O-N 3.43Å; M56-F116 HydrophobicContact CE-CB 3.45Å; M56-F116 VanDerWaalsContact CE-CB 3.45Å; M56-F116 HydrophobicContact CE-CD2 4.3Å; M56-F116 HydrophobicContact CE-CG 4.09Å |
| 57 | T | 79 | Confident | 67.8 | Low | 38 Ų | 38 | 89.2 Ų | 89.2 | 23% | 0.233 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -73.9 | 134.4 | 179.2 | -50 | 0 | 0 | 0 | 0 | 109.5 | F53 F54 L55 T59 A60 Q61 | F53-T57 PolarHBondContact O-N 3.14Å; F53-T57 PolarHBondContact O-OG1 3.18Å; F54-T57 WeakPolarHBondContact O-CB 3.14Å; F54-T57 PolarHBondContact O-N 3.21Å; F54-T57 PolarHBondContact O-OG1 3.47Å; L55-T57 VanDerWaalsContact C-N 3.32Å; T57-T59 HydrophobicContact CG2-CG2 4.3Å; T57-T59 WeakPolarHBondContact CG2-OG1 3.32Å; T57-T59 PolarHBondContact O-N 3.12Å; T57-A60 PolarHBondContact O-N 2.88Å; T57-Q61 PolarHBondContact O-N 3.35Å |
| 58 | S | 76.1 | Confident | 70.7 | Confident | 87 Ų | 87 | 81.8 Ų | 81.8 | 61% | 0.608 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -57.5 | -23.9 | 179.1 | -54.1 | 0 | 0 | 0 | 0 | 113.3 | T62 | S58-T62 WeakPolarHBondContact O-CB 3.39Å; S58-T62 PolarHBondContact O-N 3.2Å; S58-T62 PolarHBondContact O-OG1 3.41Å |
| 59 | T | 82.6 | Confident | 73.8 | Confident | 80 Ų | 80 | 78 Ų | 78 | 49% | 0.491 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.8 | -48.6 | 174.4 | 54.3 | 0 | 0 | 0 | 0 | 111.9 | T57 Q61 T62 I63 | T57-T59 HydrophobicContact CG2-CG2 4.3Å; T57-T59 WeakPolarHBondContact CG2-OG1 3.32Å; T57-T59 PolarHBondContact O-N 3.12Å; T59-Q61 PolarHBondContact O-N 3.47Å; T59-T62 PolarHBondContact O-N 3.04Å; T59-I63 WeakPolarHBondContact O-CB 3.39Å; T59-I63 WeakPolarHBondContact O-CD1 3.48Å; T59-I63 WeakPolarHBondContact O-CG1 3.34Å; T59-I63 PolarHBondContact O-N 2.92Å |
| 60 | A | 80.1 | Confident | 76.4 | Confident | 2 Ų | 2 | 74.1 Ų | 74.1 | 2% | 0.017 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F54 T57 T62 I63 S64 F311 | F54-A60 HydrophobicContact CE1-CB 4.28Å; F54-A60 HydrophobicContact CZ-CB 4.48Å; F54-A60 WeakPolarHBondContact O-CB 3.47Å; T57-A60 PolarHBondContact O-N 2.88Å; A60-T62 PolarHBondContact O-N 2.73Å; A60-I63 PolarHBondContact O-N 3.43Å; A60-S64 PolarHBondContact O-N 3.03Å; A60-S64 PolarHBondContact O-OG 3.48Å; A60-F311 HydrophobicContact CB-CE2 4.15Å |
| 61 | Q | 82.5 | Confident | 79 | Confident | 52 Ų | 52 | 66.6 Ų | 66.6 | 24% | 0.243 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.2 | -36.7 | 176.7 | -66.4 | 179.4 | -10 | 0 | 0 | 112.9 | T57 T59 S64 G65 | T57-Q61 PolarHBondContact O-N 3.35Å; T59-Q61 PolarHBondContact O-N 3.47Å; Q61-S64 PolarHBondContact O-OG 2.85Å; Q61-S64 VanDerWaalsContact O-OG 3.1Å; Q61-G65 PolarHBondContact O-N 3.06Å |
| 62 | T | 87.4 | Confident | 81.5 | Confident | 101 Ų | 101 | 59.8 Ų | 59.8 | 62% | 0.62 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -69.9 | -42.1 | 176.8 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | S58 T59 A60 G65 F66 | S58-T62 WeakPolarHBondContact O-CB 3.39Å; S58-T62 PolarHBondContact O-N 3.2Å; S58-T62 PolarHBondContact O-OG1 3.41Å; T59-T62 PolarHBondContact O-N 3.04Å; A60-T62 PolarHBondContact O-N 2.73Å; T62-G65 PolarHBondContact O-N 3.38Å; T62-F66 PolarHBondContact O-N 3.42Å |
| 63 | I | 89.4 | Confident | 83.9 | Confident | 78 Ų | 78 | 58.1 Ų | 58.1 | 40% | 0.4 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64 | -49.2 | 178.3 | -68.5 | 164.3 | 0 | 0 | 0 | 110.3 | T59 A60 G65 F66 F67 | T59-I63 WeakPolarHBondContact O-CB 3.39Å; T59-I63 WeakPolarHBondContact O-CD1 3.48Å; T59-I63 WeakPolarHBondContact O-CG1 3.34Å; T59-I63 PolarHBondContact O-N 2.92Å; A60-I63 PolarHBondContact O-N 3.43Å; I63-G65 VanDerWaalsContact C-N 3.34Å; I63-G65 PolarHBondContact O-N 3.16Å; I63-F66 PolarHBondContact O-N 2.84Å; I63-F67 HydrophobicContact CG2-CD2 3.85Å; I63-F67 HydrophobicContact CG2-CE2 3.64Å; I63-F67 WeakPolarHBondContact O-CD2 3.48Å; I63-F67 PolarHBondContact O-N 3.38Å; I63-F67 VanDerWaalsContact O-N 3.17Å |
| 64 | S | 87.7 | Confident | 85.5 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62 | -43 | 178.3 | 63.9 | 0 | 0 | 0 | 0 | 111.5 | A60 Q61 F66 F67 V68 | A60-S64 PolarHBondContact O-N 3.03Å; A60-S64 PolarHBondContact O-OG 3.48Å; Q61-S64 PolarHBondContact O-OG 2.85Å; Q61-S64 VanDerWaalsContact O-OG 3.1Å; S64-F66 PolarHBondContact O-N 2.7Å; S64-F67 PolarHBondContact O-N 3.28Å; S64-V68 WeakPolarHBondContact O-CB 3.41Å; S64-V68 WeakPolarHBondContact O-CG2 2.89Å; S64-V68 PolarHBondContact O-N 3.48Å |
| 65 | G | 90 | Very high | 86.6 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.9 | -43.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q61 T62 I63 V68 W69 | Q61-G65 PolarHBondContact O-N 3.06Å; T62-G65 PolarHBondContact O-N 3.38Å; I63-G65 VanDerWaalsContact C-N 3.34Å; I63-G65 PolarHBondContact O-N 3.16Å; G65-V68 PolarHBondContact O-N 3.04Å; G65-W69 WeakPolarHBondContact O-CB 3.47Å; G65-W69 PolarHBondContact O-N 2.7Å |
| 66 | F | 93 | Very high | 87.8 | Confident | 139 Ų | 139 | 55 Ų | 55 | 61% | 0.61 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61 | -46.4 | 177.7 | 176.4 | -97.7 | 0 | 0 | 0 | 112.6 | T62 I63 S64 T70 | T62-F66 PolarHBondContact O-N 3.42Å; I63-F66 PolarHBondContact O-N 2.84Å; S64-F66 PolarHBondContact O-N 2.7Å; F66-T70 WeakPolarHBondContact O-CB 3.21Å; F66-T70 PolarHBondContact O-N 2.95Å; F66-T70 PolarHBondContact O-OG1 3.02Å |
| 67 | F | 92.2 | Very high | 89.1 | Confident | 50 Ų | 50 | 54 Ų | 54 | 22% | 0.219 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 177.2 | -77.8 | -66.9 | 0 | 0 | 0 | 111.9 | I63 S64 T70 A71 I315 F318 | I63-F67 HydrophobicContact CG2-CD2 3.85Å; I63-F67 HydrophobicContact CG2-CE2 3.64Å; I63-F67 WeakPolarHBondContact O-CD2 3.48Å; I63-F67 PolarHBondContact O-N 3.38Å; I63-F67 VanDerWaalsContact O-N 3.17Å; S64-F67 PolarHBondContact O-N 3.28Å; F67-T70 PolarHBondContact O-N 3.35Å; F67-A71 WeakPolarHBondContact O-CB 3.36Å; F67-A71 PolarHBondContact O-N 3.31Å; F67-I315 HydrophobicContact CD2-CG1 4.09Å; F67-I315 HydrophobicContact CE2-CG1 4.39Å; F67-F318 HydrophobicContact CB-CB 4.31Å; F67-F318 HydrophobicContact CD1-CB 3.97Å; F67-F318 AromaticContact CD1-CD1 3.87Å; F67-F318 HydrophobicContact CD1-CD1 3.87Å; F67-F318 HydrophobicContact CD1-CD2 4.37Å; F67-F318 HydrophobicContact CD1-CE1 4.49Å; F67-F318 AromaticContact CD1-CG 3.8Å; F67-F318 HydrophobicContact CD1-CG 3.8Å; F67-F318 HydrophobicContact CE1-CD1 4.08Å; F67-F318 HydrophobicContact CE1-CE1 4.39Å; F67-F318 HydrophobicContact CE1-CG 4.46Å |
| 68 | V | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -50.4 | 179.5 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | S64 G65 T70 A71 L72 A106 W110 C314 | S64-V68 WeakPolarHBondContact O-CB 3.41Å; S64-V68 WeakPolarHBondContact O-CG2 2.89Å; S64-V68 PolarHBondContact O-N 3.48Å; G65-V68 PolarHBondContact O-N 3.04Å; V68-T70 VanDerWaalsContact C-N 3.29Å; V68-T70 PolarHBondContact O-N 3.18Å; V68-A71 WeakPolarHBondContact O-CB 3.14Å; V68-A71 PolarHBondContact O-N 3.11Å; V68-L72 HydrophobicContact CG1-CD1 4.11Å; V68-L72 HydrophobicContact CG1-CG 4.42Å; V68-L72 WeakPolarHBondContact O-CB 3.33Å; V68-L72 VanDerWaalsContact O-CG 3.3Å; V68-L72 WeakPolarHBondContact O-CG 3.2Å; V68-L72 PolarHBondContact O-N 3.48Å; V68-A106 HydrophobicContact CB-CB 4.49Å; V68-A106 HydrophobicContact CG1-CB 4.03Å; V68-A106 HydrophobicContact CG2-CB 4.25Å; V68-W110 HydrophobicContact CB-CB 4.36Å; V68-W110 HydrophobicContact CB-CG 4.48Å; V68-W110 HydrophobicContact CG1-CB 4.01Å; V68-W110 HydrophobicContact CG1-CG 4.28Å; V68-W110 HydrophobicContact CG2-CB 3.92Å; V68-W110 HydrophobicContact CG2-CG 4.36Å; V68-C314 HydrophobicContact CG2-CB 3.71Å |
| 69 | W | 93.9 | Very high | 90.3 | Very high | 139 Ų | 139 | 48.6 Ų | 48.6 | 53% | 0.527 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 177.7 | -83.4 | 106.6 | 0 | 0 | 0 | 112.4 | G65 L72 L73 W110 | G65-W69 WeakPolarHBondContact O-CB 3.47Å; G65-W69 PolarHBondContact O-N 2.7Å; W69-L72 HydrophobicContact CE3-CD1 4.26Å; W69-L72 PolarHBondContact O-N 3.03Å; W69-L73 WeakPolarHBondContact O-CG 3.5Å; W69-L73 PolarHBondContact O-N 2.79Å; W69-W110 AromaticContact NE1-CH2 3.78Å |
| 70 | T | 94.1 | Very high | 90.6 | Very high | 38 Ų | 38 | 49.5 Ų | 49.5 | 23% | 0.233 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.1 | -43.6 | 176.1 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | F66 F67 V68 L72 L73 I74 F318 | F66-T70 WeakPolarHBondContact O-CB 3.21Å; F66-T70 PolarHBondContact O-N 2.95Å; F66-T70 PolarHBondContact O-OG1 3.02Å; F67-T70 PolarHBondContact O-N 3.35Å; V68-T70 VanDerWaalsContact C-N 3.29Å; V68-T70 PolarHBondContact O-N 3.18Å; T70-L72 VanDerWaalsContact C-N 3.35Å; T70-L72 PolarHBondContact O-N 2.93Å; T70-L73 PolarHBondContact O-N 3.04Å; T70-I74 HydrophobicContact CG2-CD1 4.05Å; T70-I74 VanDerWaalsContact O-CG1 3.3Å; T70-I74 WeakPolarHBondContact O-CG1 3.5Å; T70-I74 PolarHBondContact O-N 3.19Å; T70-F318 HydrophobicContact CG2-CD2 3.98Å; T70-F318 HydrophobicContact CG2-CE2 3.56Å |
| 71 | A | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F67 V68 I74 T75 V102 F318 A321 | F67-A71 WeakPolarHBondContact O-CB 3.36Å; F67-A71 PolarHBondContact O-N 3.31Å; V68-A71 WeakPolarHBondContact O-CB 3.14Å; V68-A71 PolarHBondContact O-N 3.11Å; A71-I74 PolarHBondContact O-N 3.37Å; A71-T75 WeakPolarHBondContact O-CB 3.41Å; A71-T75 WeakPolarHBondContact O-CG2 3.11Å; A71-T75 PolarHBondContact O-N 3.37Å; A71-T75 PolarHBondContact O-OG1 3.3Å; A71-V102 HydrophobicContact CB-CG1 4.19Å; A71-F318 HydrophobicContact CB-CB 4.35Å; A71-A321 HydrophobicContact CB-CB 4.18Å |
| 72 | L | 93.4 | Very high | 91.1 | Very high | 23 Ų | 23 | 48 Ų | 48 | 12% | 0.12 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.2 | -47.6 | 174.8 | -71.7 | 176.4 | 0 | 0 | 0 | 111.6 | V68 W69 T70 I74 T75 C76 P103 | V68-L72 HydrophobicContact CG1-CD1 4.11Å; V68-L72 HydrophobicContact CG1-CG 4.42Å; V68-L72 WeakPolarHBondContact O-CB 3.33Å; V68-L72 VanDerWaalsContact O-CG 3.3Å; V68-L72 WeakPolarHBondContact O-CG 3.2Å; V68-L72 PolarHBondContact O-N 3.48Å; W69-L72 HydrophobicContact CE3-CD1 4.26Å; W69-L72 PolarHBondContact O-N 3.03Å; T70-L72 VanDerWaalsContact C-N 3.35Å; T70-L72 PolarHBondContact O-N 2.93Å; L72-I74 PolarHBondContact O-N 3.2Å; L72-T75 WeakPolarHBondContact CA-OG1 3.29Å; L72-T75 PolarHBondContact O-N 3.34Å; L72-T75 PolarHBondContact O-OG1 2.82Å; L72-T75 VanDerWaalsContact O-OG1 3.06Å; L72-C76 WeakPolarHBondContact O-CB 3.24Å; L72-C76 PolarHBondContact O-N 3.49Å; L72-C76 PolarHBondContact O-SG 3.2Å; L72-P103 VanDerWaalsContact CD2-CA 3.49Å; L72-P103 HydrophobicContact CD2-CB 3.38Å |
| 73 | L | 94.6 | Very high | 90.9 | Very high | 120 Ų | 120 | 43.8 Ų | 43.8 | 63% | 0.628 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -62.2 | -43 | 178.6 | -72 | 173.9 | 0 | 0 | 0 | 112.3 | W69 T70 H77 | W69-L73 WeakPolarHBondContact O-CG 3.5Å; W69-L73 PolarHBondContact O-N 2.79Å; T70-L73 PolarHBondContact O-N 3.04Å; L73-H77 VanDerWaalsContact O-CB 3.26Å; L73-H77 WeakPolarHBondContact O-CB 3.11Å; L73-H77 PolarHBondContact O-N 3.07Å |
| 74 | I | 93.1 | Very high | 90.6 | Very high | 29 Ų | 29 | 46.1 Ų | 46.1 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -48 | 178.8 | -69.4 | 168.7 | 0 | 0 | 0 | 110.7 | T70 A71 L72 Q78 F318 A321 V322 | T70-I74 HydrophobicContact CG2-CD1 4.05Å; T70-I74 VanDerWaalsContact O-CG1 3.3Å; T70-I74 WeakPolarHBondContact O-CG1 3.5Å; T70-I74 PolarHBondContact O-N 3.19Å; A71-I74 PolarHBondContact O-N 3.37Å; L72-I74 PolarHBondContact O-N 3.2Å; I74-Q78 WeakPolarHBondContact O-CB 3.24Å; I74-Q78 PolarHBondContact O-N 2.87Å; I74-F318 HydrophobicContact CD1-CD2 4.4Å; I74-F318 HydrophobicContact CD1-CE2 3.97Å; I74-A321 HydrophobicContact CB-CB 4.34Å; I74-A321 HydrophobicContact CG2-CB 4.08Å; I74-V322 HydrophobicContact CD1-CG2 4.09Å |
| 75 | T | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71 | -44 | -177.6 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | A71 L72 H77 Q78 I79 V102 A321 | A71-T75 WeakPolarHBondContact O-CB 3.41Å; A71-T75 WeakPolarHBondContact O-CG2 3.11Å; A71-T75 PolarHBondContact O-N 3.37Å; A71-T75 PolarHBondContact O-OG1 3.3Å; L72-T75 WeakPolarHBondContact CA-OG1 3.29Å; L72-T75 PolarHBondContact O-N 3.34Å; L72-T75 PolarHBondContact O-OG1 2.82Å; L72-T75 VanDerWaalsContact O-OG1 3.06Å; T75-H77 VanDerWaalsContact C-N 3.32Å; T75-H77 PolarHBondContact O-N 3.3Å; T75-Q78 WeakPolarHBondContact O-CB 2.99Å; T75-Q78 PolarHBondContact O-N 3.42Å; T75-Q78 VanDerWaalsContact O-N 3.08Å; T75-I79 VanDerWaalsContact O-CG1 3.32Å; T75-I79 WeakPolarHBondContact O-CG1 3.42Å; T75-I79 PolarHBondContact O-N 3.31Å; T75-V102 HydrophobicContact CG2-CB 3.82Å; T75-V102 HydrophobicContact CG2-CG1 3.63Å; T75-V102 HydrophobicContact CG2-CG2 4.46Å; T75-A321 HydrophobicContact CG2-CB 3.84Å |
| 76 | C | 91.9 | Very high | 89.9 | Confident | 71 Ų | 71 | 50.4 Ų | 50.4 | 48% | 0.48 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.9 | -44.3 | 173.8 | -75.1 | 0 | 0 | 0 | 0 | 111.6 | L72 Q78 I79 Y80 | L72-C76 WeakPolarHBondContact O-CB 3.24Å; L72-C76 PolarHBondContact O-N 3.49Å; L72-C76 PolarHBondContact O-SG 3.2Å; C76-Q78 VanDerWaalsContact C-N 3.34Å; C76-Q78 PolarHBondContact O-N 3Å; C76-I79 PolarHBondContact O-N 3.35Å; C76-Y80 VanDerWaalsContact O-CB 3.3Å; C76-Y80 WeakPolarHBondContact O-CB 3.22Å; C76-Y80 PolarHBondContact O-N 2.91Å |
| 77 | H | 92.4 | Very high | 89.2 | Confident | 78 Ų | 78 | 45.8 Ų | 45.8 | 36% | 0.361 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 174.1 | 175.3 | -84.7 | 0 | 0 | 0 | 111.5 | L73 T75 Y80 M81 | L73-H77 VanDerWaalsContact O-CB 3.26Å; L73-H77 WeakPolarHBondContact O-CB 3.11Å; L73-H77 PolarHBondContact O-N 3.07Å; T75-H77 VanDerWaalsContact C-N 3.32Å; T75-H77 PolarHBondContact O-N 3.3Å; H77-Y80 PolarHBondContact O-N 3.42Å; H77-M81 VanDerWaalsContact O-CG 3.29Å; H77-M81 WeakPolarHBondContact O-CG 3.37Å; H77-M81 PolarHBondContact O-N 3.47Å |
| 78 | Q | 90.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.8 | -44.5 | 178.7 | -168.7 | -175.6 | -8.8 | 0 | 0 | 112.3 | I74 T75 C76 M81 H82 L99 L324 F328 | I74-Q78 WeakPolarHBondContact O-CB 3.24Å; I74-Q78 PolarHBondContact O-N 2.87Å; T75-Q78 WeakPolarHBondContact O-CB 2.99Å; T75-Q78 PolarHBondContact O-N 3.42Å; T75-Q78 VanDerWaalsContact O-N 3.08Å; C76-Q78 VanDerWaalsContact C-N 3.34Å; C76-Q78 PolarHBondContact O-N 3Å; Q78-M81 PolarHBondContact O-N 2.75Å; Q78-H82 PolarHBondContact O-CD2 3.34Å; Q78-H82 VanDerWaalsContact O-CD2 3.32Å; Q78-H82 PolarHBondContact O-N 3.2Å; Q78-L99 HydrophobicContact CB-CD2 4.03Å; Q78-L99 HydrophobicContact CG-CD2 3.53Å; Q78-L324 PolarHBondContact NE2-O 2.96Å; Q78-F328 PolarHBondContact NE2-O 3.48Å |
| 79 | I | 89.9 | Confident | 88.1 | Confident | 12 Ų | 12 | 47.6 Ų | 47.6 | 6% | 0.062 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.4 | -46.3 | 176 | -68.4 | 165.4 | 0 | 0 | 0 | 109.9 | T75 C76 M81 H82 L83 V96 L99 F100 | T75-I79 VanDerWaalsContact O-CG1 3.32Å; T75-I79 WeakPolarHBondContact O-CG1 3.42Å; T75-I79 PolarHBondContact O-N 3.31Å; C76-I79 PolarHBondContact O-N 3.35Å; I79-M81 VanDerWaalsContact C-N 3.32Å; I79-M81 PolarHBondContact O-N 3.38Å; I79-H82 PolarHBondContact O-N 3.25Å; I79-L83 HydrophobicContact CG2-CD1 3.82Å; I79-L83 HydrophobicContact CG2-CG 4.31Å; I79-L83 WeakPolarHBondContact O-CG 3.43Å; I79-L83 PolarHBondContact O-N 3.46Å; I79-V96 HydrophobicContact CG2-CG1 4.14Å; I79-L99 HydrophobicContact CD1-CB 4.3Å; I79-L99 HydrophobicContact CG1-CB 3.95Å; I79-L99 HydrophobicContact CG1-CD2 3.9Å; I79-F100 HydrophobicContact CD1-CD1 4.05Å; I79-F100 HydrophobicContact CD1-CD2 4.21Å; I79-F100 HydrophobicContact CD1-CE1 3.91Å; I79-F100 HydrophobicContact CD1-CE2 4.07Å; I79-F100 HydrophobicContact CD1-CG 4.18Å; I79-F100 HydrophobicContact CD1-CZ 3.91Å; I79-F100 HydrophobicContact CG2-CE2 4.3Å; I79-F100 HydrophobicContact CG2-CZ 4.25Å |
| 80 | Y | 88.6 | Confident | 87.6 | Confident | 99 Ų | 99 | 45.7 Ų | 45.7 | 39% | 0.388 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.1 | -44.6 | 176.4 | 172.7 | -98.3 | 0 | 0 | 0 | 112 | C76 H77 L83 R84 I359 | C76-Y80 VanDerWaalsContact O-CB 3.3Å; C76-Y80 WeakPolarHBondContact O-CB 3.22Å; C76-Y80 PolarHBondContact O-N 2.91Å; H77-Y80 PolarHBondContact O-N 3.42Å; Y80-L83 PolarHBondContact O-N 3.27Å; Y80-R84 VanDerWaalsContact O-CB 3.29Å; Y80-R84 WeakPolarHBondContact O-CB 3.4Å; Y80-R84 PolarHBondContact O-N 2.99Å; Y80-I359 HydrophobicContact CD2-CD1 4.45Å; Y80-I359 HydrophobicContact CE2-CD1 3.86Å |
| 81 | M | 85.8 | Confident | 87.1 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 11% | 0.108 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 177.8 | -69.4 | -65.1 | -78.8 | 0 | 0 | 112 | H77 Q78 I79 L83 R84 Y85 Y330 | H77-M81 VanDerWaalsContact O-CG 3.29Å; H77-M81 WeakPolarHBondContact O-CG 3.37Å; H77-M81 PolarHBondContact O-N 3.47Å; Q78-M81 PolarHBondContact O-N 2.75Å; I79-M81 VanDerWaalsContact C-N 3.32Å; I79-M81 PolarHBondContact O-N 3.38Å; M81-L83 PolarHBondContact O-N 3.17Å; M81-R84 PolarHBondContact O-N 3.31Å; M81-Y85 HydrophobicContact CE-CD2 4.31Å; M81-Y85 HydrophobicContact CE-CE2 3.6Å; M81-Y85 VanDerWaalsContact O-CD2 3.27Å; M81-Y85 WeakPolarHBondContact O-CD2 3.39Å; M81-Y85 PolarHBondContact O-N 3.06Å; M81-Y85 HydrophobicContact SD-CE2 4.15Å; M81-Y330 HydrophobicContact CB-CD1 3.89Å; M81-Y330 HydrophobicContact CB-CD2 4.09Å; M81-Y330 HydrophobicContact CB-CE1 4.38Å; M81-Y330 HydrophobicContact CB-CG 3.73Å; M81-Y330 HydrophobicContact CE-CD2 3.66Å; M81-Y330 HydrophobicContact CE-CE1 4.34Å; M81-Y330 HydrophobicContact CE-CE2 3.17Å; M81-Y330 HydrophobicContact CE-CG 4.41Å; M81-Y330 HydrophobicContact CG-CD1 4.35Å; M81-Y330 HydrophobicContact CG-CE1 4.34Å; M81-Y330 HydrophobicContact CG-CG 4.46Å |
| 82 | H | 86.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -40.3 | 174.5 | -83.6 | -66.8 | 0 | 0 | 0 | 112.7 | Q78 I79 Y85 Y86 Q92 V96 F328 Y333 | Q78-H82 PolarHBondContact O-CD2 3.34Å; Q78-H82 VanDerWaalsContact O-CD2 3.32Å; Q78-H82 PolarHBondContact O-N 3.2Å; I79-H82 PolarHBondContact O-N 3.25Å; H82-Y85 CarbonylContact O-C 3.36Å; H82-Y86 PolarHBondContact O-N 2.96Å; H82-Q92 PolarHBondContact O-NE2 3.05Å; H82-V96 HydrophobicContact CB-CG2 3.91Å; H82-F328 PolarHBondContact NE2-O 2.75Å; H82-Y333 AromaticContact CE1-CD2 3.82Å; H82-Y333 AromaticContact CE1-CE2 3.92Å; H82-Y333 AromaticContact ND1-CD2 3.83Å |
| 83 | L | 84.8 | Confident | 86.5 | Confident | 13 Ų | 13 | 46.1 Ų | 46.1 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.2 | -32.2 | 176 | -67.1 | 172.7 | 0 | 0 | 0 | 112.7 | I79 Y80 M81 I359 L363 | I79-L83 HydrophobicContact CG2-CD1 3.82Å; I79-L83 HydrophobicContact CG2-CG 4.31Å; I79-L83 WeakPolarHBondContact O-CG 3.43Å; I79-L83 PolarHBondContact O-N 3.46Å; Y80-L83 PolarHBondContact O-N 3.27Å; M81-L83 PolarHBondContact O-N 3.17Å; L83-I359 HydrophobicContact CB-CG2 4.06Å; L83-I359 HydrophobicContact CD1-CG2 3.84Å; L83-L363 HydrophobicContact CD1-CB 4.23Å; L83-L363 HydrophobicContact CD1-CD1 4.21Å |
| 84 | R | 83.1 | Confident | 86.2 | Confident | 127 Ų | 127 | 41.1 Ų | 41.1 | 48% | 0.479 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -70.3 | -36.8 | 177 | -176.8 | 173.2 | -178.7 | 167.2 | -1.9 | 111.9 | Y80 M81 R337 | Y80-R84 VanDerWaalsContact O-CB 3.29Å; Y80-R84 WeakPolarHBondContact O-CB 3.4Å; Y80-R84 PolarHBondContact O-N 2.99Å; M81-R84 PolarHBondContact O-N 3.31Å; R84-R337 PolarHBondContact O-NH1 3.42Å |
| 85 | Y | 82 | Confident | 86 | Confident | 43 Ų | 43 | 39.8 Ų | 39.8 | 17% | 0.169 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 51.9 | 177.8 | -59 | -78 | 0 | 0 | 0 | 111 | M81 H82 S87 Q92 M334 | M81-Y85 HydrophobicContact CE-CD2 4.31Å; M81-Y85 HydrophobicContact CE-CE2 3.6Å; M81-Y85 VanDerWaalsContact O-CD2 3.27Å; M81-Y85 WeakPolarHBondContact O-CD2 3.39Å; M81-Y85 PolarHBondContact O-N 3.06Å; M81-Y85 HydrophobicContact SD-CE2 4.15Å; H82-Y85 CarbonylContact O-C 3.36Å; Y85-S87 VanDerWaalsContact C-N 3.26Å; Y85-S87 PolarHBondContact O-N 3.41Å; Y85-Q92 PolarHBondContact O-NE2 3.47Å; Y85-Q92 PolarHBondContact O-OE1 3.1Å; Y85-M334 HydrophobicContact CD1-CB 4.13Å; Y85-M334 HydrophobicContact CD1-CG 3.86Å; Y85-M334 HydrophobicContact CD2-CB 4.47Å; Y85-M334 HydrophobicContact CE1-CB 4.38Å; Y85-M334 HydrophobicContact CE1-CG 3.64Å; Y85-M334 HydrophobicContact CE1-SD 4.43Å; Y85-M334 HydrophobicContact CE2-CG 4.37Å; Y85-M334 HydrophobicContact CG-CB 4.19Å; Y85-M334 HydrophobicContact CG-CG 4.32Å |
| 86 | Y | 80.1 | Confident | 85.9 | Confident | 55 Ų | 55 | 39.8 Ų | 39.8 | 22% | 0.216 | 20% | 0.195 | C | C | . | . | trans | -78.9 | 68.8 | -177.5 | -157 | -112.8 | 0 | 0 | 0 | 111.9 | H82 P89 Q92 T366 | H82-Y86 PolarHBondContact O-N 2.96Å; Y86-P89 HydrophobicContact CD1-CB 4.23Å; Y86-P89 HydrophobicContact CE1-CB 3.45Å; Y86-P89 VanDerWaalsContact CE1-CB 3.45Å; Y86-P89 PolarHBondContact OH-O 2.99Å; Y86-Q92 VanDerWaalsContact C-OE1 3.32Å; Y86-Q92 VanDerWaalsContact CA-OE1 3.26Å; Y86-Q92 HydrophobicContact CD2-CB 3.95Å; Y86-Q92 HydrophobicContact CE2-CB 3.73Å; Y86-T366 PolarHBondContact OH-OG1 3.47Å | ||
| 87 | S | 78.6 | Confident | 85.8 | Confident | 42 Ų | 42 | 36.4 Ų | 36.4 | 29% | 0.294 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -88.4 | -29 | -177.3 | -62.1 | 0 | 0 | 0 | 0 | 113.7 | Y85 Y333 R337 | Y85-S87 VanDerWaalsContact C-N 3.26Å; Y85-S87 PolarHBondContact O-N 3.41Å; S87-Y333 PolarHBondContact OG-O 3.35Å; S87-R337 WeakPolarHBondContact OG-CB 3.38Å |
| 88 | S | 80.8 | Confident | 85.7 | Confident | 28 Ų | 28 | 32.8 Ų | 32.8 | 20% | 0.196 | 16% | 0.156 | C | C | . | . | trans | -127.7 | 83.1 | -176.8 | -59.4 | 0 | 0 | 0 | 0 | 109.2 | N90 E91 Q92 | S88-N90 VanDerWaalsContact C-N 3.3Å; S88-N90 PolarHBondContact O-N 3.47Å; S88-E91 PolarHBondContact O-N 3.11Å; S88-Q92 WeakPolarHBondContact O-CB 3.4Å; S88-Q92 WeakPolarHBondContact O-CG 3.29Å; S88-Q92 PolarHBondContact O-N 2.93Å; S88-Q92 PolarHBondContact O-OE1 2.7Å | ||
| 89 | P | 80.8 | Confident | 85.6 | Confident | 60 Ų | 60 | 32.8 Ų | 32.8 | 39% | 0.39 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.2 | -35.9 | -169.1 | 24.1 | -34.7 | 0 | 0 | 0 | 113.2 | Y86 R93 | Y86-P89 HydrophobicContact CD1-CB 4.23Å; Y86-P89 HydrophobicContact CE1-CB 3.45Å; Y86-P89 VanDerWaalsContact CE1-CB 3.45Å; Y86-P89 PolarHBondContact OH-O 2.99Å; P89-R93 WeakPolarHBondContact O-CB 3.44Å; P89-R93 PolarHBondContact O-N 2.68Å |
| 90 | N | 82.5 | Confident | 85.6 | Confident | 99 Ų | 99 | 34.4 Ų | 34.4 | 53% | 0.529 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.1 | -46.6 | -177.8 | -60.8 | -10.1 | 0 | 0 | 0 | 112 | S88 H94 E146 | S88-N90 VanDerWaalsContact C-N 3.3Å; S88-N90 PolarHBondContact O-N 3.47Å; N90-H94 PolarHBondContact O-ND1 3.43Å; N90-E146 HydrophobicContact CB-CG 4.38Å; N90-E146 WeakPolarHBondContact CB-OE2 3.34Å |
| 91 | E | 85.5 | Confident | 85.6 | Confident | 27 Ų | 27 | 30 Ų | 30 | 13% | 0.126 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -74.5 | -49.2 | 177.5 | -60.2 | 173.2 | -165.5 | 0 | 0 | 111.5 | S88 R93 H94 I95 L143 E146 Y147 Y333 | S88-E91 PolarHBondContact O-N 3.11Å; E91-R93 VanDerWaalsContact C-N 3.29Å; E91-R93 PolarHBondContact O-N 2.82Å; E91-H94 PolarHBondContact O-N 3.24Å; E91-I95 WeakPolarHBondContact O-CG1 3.48Å; E91-I95 PolarHBondContact O-N 3.22Å; E91-I95 VanDerWaalsContact O-N 3.09Å; E91-L143 HydrophobicContact CB-CD1 4.11Å; E91-L143 WeakPolarHBondContact O-CD1 3.13Å; E91-E146 HydrophobicContact CG-CB 4.43Å; E91-Y147 HydrophobicContact CB-CE1 4.11Å; E91-Y147 HydrophobicContact CG-CD1 3.9Å; E91-Y147 HydrophobicContact CG-CE1 3.91Å; E91-Y147 WeakPolarHBondContact OE2-CE1 3.48Å; E91-Y333 VanDerWaalsContact OE2-CE1 3.23Å; E91-Y333 WeakPolarHBondContact OE2-CE1 3.46Å; E91-Y333 PolarHBondContact OE2-OH 3.17Å |
| 92 | Q | 85.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.2 | -30.5 | -171.3 | -69.3 | -179.3 | -70.5 | 0 | 0 | 112.5 | H82 Y85 Y86 S88 H94 I95 V96 Y333 | H82-Q92 PolarHBondContact O-NE2 3.05Å; Y85-Q92 PolarHBondContact O-NE2 3.47Å; Y85-Q92 PolarHBondContact O-OE1 3.1Å; Y86-Q92 VanDerWaalsContact C-OE1 3.32Å; Y86-Q92 VanDerWaalsContact CA-OE1 3.26Å; Y86-Q92 HydrophobicContact CD2-CB 3.95Å; Y86-Q92 HydrophobicContact CE2-CB 3.73Å; S88-Q92 WeakPolarHBondContact O-CB 3.4Å; S88-Q92 WeakPolarHBondContact O-CG 3.29Å; S88-Q92 PolarHBondContact O-N 2.93Å; S88-Q92 PolarHBondContact O-OE1 2.7Å; Q92-H94 PolarHBondContact O-N 3.25Å; Q92-I95 PolarHBondContact O-N 3.46Å; Q92-V96 WeakPolarHBondContact O-CB 3.42Å; Q92-V96 VanDerWaalsContact O-CG2 3.26Å; Q92-V96 WeakPolarHBondContact O-CG2 3.22Å; Q92-V96 PolarHBondContact O-N 3.27Å; Q92-Y333 HydrophobicContact CG-CD1 3.77Å; Q92-Y333 HydrophobicContact CG-CD2 4.14Å; Q92-Y333 HydrophobicContact CG-CE1 3.67Å; Q92-Y333 HydrophobicContact CG-CE2 4.04Å; Q92-Y333 HydrophobicContact CG-CG 4.01Å; Q92-Y333 VanDerWaalsContact NE2-CG 3.25Å |
| 93 | R | 88.3 | Confident | 86 | Confident | 44 Ų | 44 | 29.7 Ų | 29.7 | 17% | 0.166 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.6 | -48.8 | 172.8 | 175.4 | 165.4 | -167.3 | -154.6 | -4.5 | 111.8 | P89 E91 R97 E365 T366 N368 D371 | P89-R93 WeakPolarHBondContact O-CB 3.44Å; P89-R93 PolarHBondContact O-N 2.68Å; E91-R93 VanDerWaalsContact C-N 3.29Å; E91-R93 PolarHBondContact O-N 2.82Å; R93-R97 VanDerWaalsContact O-CG 3.26Å; R93-R97 WeakPolarHBondContact O-CG 3.39Å; R93-R97 PolarHBondContact O-N 3.28Å; R93-R97 VanDerWaalsContact O-N 3.15Å; R93-E365 PolarHBondContact NE-O 3.32Å; R93-E365 VanDerWaalsContact NE-O 3.14Å; R93-E365 PolarHBondContact NH2-O 2.89Å; R93-T366 HydrophobicContact CB-CG2 4.33Å; R93-T366 HydrophobicContact CG-CG2 4.07Å; R93-T366 WeakPolarHBondContact O-CG2 3.28Å; R93-N368 PolarHBondContact NH2-O 3.32Å; R93-N368 VanDerWaalsContact NH2-O 3.13Å; R93-D371 IonicContact CZ-OD1 2.96Å; R93-D371 IonicContact CZ-OD2 3Å; R93-D371 IonicContact NE-OD2 2.75Å; R93-D371 PolarHBondContact NE-OD2 3.12Å; R93-D371 IonicContact NH1-OD1 2.85Å; R93-D371 PolarHBondContact NH1-OD1 3.32Å; R93-D371 IonicContact NH1-OD2 2.78Å; R93-D371 PolarHBondContact NH1-OD2 3.05Å; R93-D371 IonicContact NH2-OD1 2.98Å; R93-D371 PolarHBondContact NH2-OD1 3.32Å; R93-D371 IonicContact NH2-OD2 3.16Å; R93-D371 PolarHBondContact NH2-OD2 3.04Å |
| 94 | H | 88.3 | Confident | 86.2 | Confident | 14 Ų | 14 | 31.2 Ų | 31.2 | 7% | 0.065 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69 | -40 | 179.1 | -63.7 | 96.2 | 0 | 0 | 0 | 111.9 | N90 E91 Q92 R97 I98 N139 S142 L143 | N90-H94 PolarHBondContact O-ND1 3.43Å; E91-H94 PolarHBondContact O-N 3.24Å; Q92-H94 PolarHBondContact O-N 3.25Å; H94-R97 WeakPolarHBondContact O-CB 2.98Å; H94-R97 PolarHBondContact O-N 3Å; H94-I98 VanDerWaalsContact O-CG1 3.3Å; H94-I98 WeakPolarHBondContact O-CG1 3.09Å; H94-I98 PolarHBondContact O-N 3.31Å; H94-N139 HydrophobicContact CB-CB 4.5Å; H94-N139 PolarHBondContact CD2-OD1 3.48Å; H94-S142 VanDerWaalsContact CD2-CB 3.5Å; H94-S142 WeakPolarHBondContact CD2-CB 3.33Å; H94-S142 VanDerWaalsContact NE2-CB 3.3Å; H94-S142 WeakPolarHBondContact NE2-CB 3.38Å; H94-L143 HydrophobicContact CB-CB 3.83Å; H94-L143 HydrophobicContact CB-CD1 4.19Å |
| 95 | I | 88.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.8 | -52.3 | 175.4 | -67.6 | 168.6 | 0 | 0 | 0 | 110.4 | E91 Q92 R97 I98 L99 L143 Y147 F328 Y333 | E91-I95 WeakPolarHBondContact O-CG1 3.48Å; E91-I95 PolarHBondContact O-N 3.22Å; E91-I95 VanDerWaalsContact O-N 3.09Å; Q92-I95 PolarHBondContact O-N 3.46Å; I95-R97 VanDerWaalsContact C-N 3.28Å; I95-R97 PolarHBondContact O-N 3.07Å; I95-I98 WeakPolarHBondContact O-CB 3.26Å; I95-I98 PolarHBondContact O-N 3.05Å; I95-L99 HydrophobicContact CG2-CD1 3.54Å; I95-L99 WeakPolarHBondContact O-CD1 3.37Å; I95-L99 PolarHBondContact O-N 2.89Å; I95-L143 HydrophobicContact CD1-CD1 4.21Å; I95-L143 HydrophobicContact CG1-CD1 3.81Å; I95-L143 HydrophobicContact CG1-CD2 3.65Å; I95-L143 HydrophobicContact CG1-CG 4.41Å; I95-Y147 WeakPolarHBondContact CD1-OH 3.47Å; I95-F328 HydrophobicContact CD1-CD1 4.32Å; I95-F328 HydrophobicContact CG1-CD1 4.05Å; I95-F328 HydrophobicContact CG1-CE1 4.32Å; I95-F328 HydrophobicContact CG2-CB 3.86Å; I95-F328 HydrophobicContact CG2-CD1 4.18Å; I95-F328 HydrophobicContact CG2-CG 4.01Å; I95-Y333 HydrophobicContact CD1-CE2 3.9Å; I95-Y333 WeakPolarHBondContact CD1-OH 3.43Å |
| 96 | V | 90 | Very high | 86.8 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58 | -42.3 | -179.8 | 168.2 | 0 | 0 | 0 | 0 | 111 | I79 H82 Q92 I98 L99 F100 T366 | I79-V96 HydrophobicContact CG2-CG1 4.14Å; H82-V96 HydrophobicContact CB-CG2 3.91Å; Q92-V96 WeakPolarHBondContact O-CB 3.42Å; Q92-V96 VanDerWaalsContact O-CG2 3.26Å; Q92-V96 WeakPolarHBondContact O-CG2 3.22Å; Q92-V96 PolarHBondContact O-N 3.27Å; V96-I98 PolarHBondContact O-N 3.45Å; V96-L99 WeakPolarHBondContact O-CB 3.11Å; V96-L99 PolarHBondContact O-N 2.9Å; V96-F100 HydrophobicContact CG1-CD2 3.94Å; V96-F100 HydrophobicContact CG1-CE2 3.6Å; V96-F100 WeakPolarHBondContact O-CD2 3.41Å; V96-F100 PolarHBondContact O-N 2.95Å; V96-T366 HydrophobicContact CB-CG2 3.73Å; V96-T366 HydrophobicContact CG1-CG2 3.61Å |
| 97 | R | 90.8 | Very high | 87.2 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 173.3 | -70.1 | 167.8 | 175.1 | 173.4 | -1.5 | 112.4 | R93 H94 I95 L99 F100 Y132 F135 N139 T366 M367 N368 D371 | R93-R97 VanDerWaalsContact O-CG 3.26Å; R93-R97 WeakPolarHBondContact O-CG 3.39Å; R93-R97 PolarHBondContact O-N 3.28Å; R93-R97 VanDerWaalsContact O-N 3.15Å; H94-R97 WeakPolarHBondContact O-CB 2.98Å; H94-R97 PolarHBondContact O-N 3Å; I95-R97 VanDerWaalsContact C-N 3.28Å; I95-R97 PolarHBondContact O-N 3.07Å; R97-L99 VanDerWaalsContact C-N 3.33Å; R97-L99 PolarHBondContact O-N 2.91Å; R97-F100 PolarHBondContact O-N 3.21Å; R97-Y132 PolarHBondContact O-OH 3.45Å; R97-F135 HydrophobicContact CB-CE1 3.91Å; R97-F135 HydrophobicContact CB-CZ 4.43Å; R97-F135 HydrophobicContact CG-CE1 3.84Å; R97-F135 HydrophobicContact CG-CZ 3.99Å; R97-N139 HydrophobicContact CB-CB 4.29Å; R97-N139 VanDerWaalsContact CD-CG 3.4Å; R97-N139 WeakPolarHBondContact CD-OD1 3.42Å; R97-N139 PolarHBondContact NH1-OD1 3.05Å; R97-T366 HydrophobicContact CG-CG2 4.42Å; R97-T366 PolarHBondContact NE-O 2.79Å; R97-T366 PolarHBondContact NH2-O 3.01Å; R97-M367 HydrophobicContact CB-CE 4.1Å; R97-M367 HydrophobicContact CG-CE 3.39Å; R97-N368 PolarHBondContact NH2-O 3.36Å; R97-D371 IonicContact CZ-OD2 2.89Å; R97-D371 IonicContact NH1-OD2 2.79Å; R97-D371 PolarHBondContact NH1-OD2 2.82Å; R97-D371 IonicContact NH2-OD2 3.44Å; R97-D371 PolarHBondContact NH2-OD2 3.31Å |
| 98 | I | 89 | Confident | 87.6 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 176.2 | -65 | 160.2 | 0 | 0 | 0 | 110.8 | H94 I95 V96 F100 I101 V136 N139 F140 L143 V266 L324 F328 | H94-I98 VanDerWaalsContact O-CG1 3.3Å; H94-I98 WeakPolarHBondContact O-CG1 3.09Å; H94-I98 PolarHBondContact O-N 3.31Å; I95-I98 WeakPolarHBondContact O-CB 3.26Å; I95-I98 PolarHBondContact O-N 3.05Å; V96-I98 PolarHBondContact O-N 3.45Å; I98-F100 PolarHBondContact O-N 3.01Å; I98-I101 WeakPolarHBondContact O-CB 3.44Å; I98-I101 WeakPolarHBondContact O-CG2 3.33Å; I98-I101 PolarHBondContact O-N 3.32Å; I98-I101 VanDerWaalsContact O-N 3.15Å; I98-V136 HydrophobicContact CG1-CG1 4.42Å; I98-V136 HydrophobicContact CG2-CG1 4.33Å; I98-N139 HydrophobicContact CG1-CB 4.05Å; I98-F140 HydrophobicContact CD1-CB 4.06Å; I98-F140 HydrophobicContact CD1-CD2 4.23Å; I98-L143 HydrophobicContact CD1-CD2 3.93Å; I98-V266 HydrophobicContact CG2-CG2 3.98Å; I98-L324 HydrophobicContact CG2-CD2 4.21Å; I98-F328 HydrophobicContact CD1-CZ 4.4Å; I98-F328 HydrophobicContact CG2-CE2 4.04Å |
| 99 | L | 89.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62 | -28.5 | 180 | -90.8 | 67.4 | 0 | 0 | 0 | 113.1 | Q78 I79 I95 V96 R97 I101 P103 F328 | Q78-L99 HydrophobicContact CB-CD2 4.03Å; Q78-L99 HydrophobicContact CG-CD2 3.53Å; I79-L99 HydrophobicContact CD1-CB 4.3Å; I79-L99 HydrophobicContact CG1-CB 3.95Å; I79-L99 HydrophobicContact CG1-CD2 3.9Å; I95-L99 HydrophobicContact CG2-CD1 3.54Å; I95-L99 WeakPolarHBondContact O-CD1 3.37Å; I95-L99 PolarHBondContact O-N 2.89Å; V96-L99 WeakPolarHBondContact O-CB 3.11Å; V96-L99 PolarHBondContact O-N 2.9Å; R97-L99 VanDerWaalsContact C-N 3.33Å; R97-L99 PolarHBondContact O-N 2.91Å; L99-I101 PolarHBondContact O-N 3.35Å; L99-P103 WeakPolarHBondContact O-CD 3.36Å; L99-F328 HydrophobicContact CD1-CB 4.18Å; L99-F328 HydrophobicContact CD1-CD2 3.96Å; L99-F328 HydrophobicContact CD1-CG 4.34Å |
| 100 | F | 90.1 | Very high | 88.1 | Confident | 45 Ų | 45 | 22 Ų | 22 | 20% | 0.197 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -8.6 | 178.8 | -89.2 | -69.7 | 0 | 0 | 0 | 113.9 | I79 V96 R97 I98 V102 P103 I104 Y132 L363 M367 | I79-F100 HydrophobicContact CD1-CD1 4.05Å; I79-F100 HydrophobicContact CD1-CD2 4.21Å; I79-F100 HydrophobicContact CD1-CE1 3.91Å; I79-F100 HydrophobicContact CD1-CE2 4.07Å; I79-F100 HydrophobicContact CD1-CG 4.18Å; I79-F100 HydrophobicContact CD1-CZ 3.91Å; I79-F100 HydrophobicContact CG2-CE2 4.3Å; I79-F100 HydrophobicContact CG2-CZ 4.25Å; V96-F100 HydrophobicContact CG1-CD2 3.94Å; V96-F100 HydrophobicContact CG1-CE2 3.6Å; V96-F100 WeakPolarHBondContact O-CD2 3.41Å; V96-F100 PolarHBondContact O-N 2.95Å; R97-F100 PolarHBondContact O-N 3.21Å; I98-F100 PolarHBondContact O-N 3.01Å; F100-V102 VanDerWaalsContact C-N 3.34Å; F100-V102 PolarHBondContact O-N 2.92Å; F100-P103 VanDerWaalsContact C-CD 3.5Å; F100-P103 HydrophobicContact CB-CG 4.5Å; F100-P103 HydrophobicContact CD1-CG 3.94Å; F100-P103 VanDerWaalsContact O-CD 3.28Å; F100-P103 WeakPolarHBondContact O-CD 3.45Å; F100-P103 VanDerWaalsContact O-CG 3.29Å; F100-P103 WeakPolarHBondContact O-CG 3.18Å; F100-I104 HydrophobicContact CB-CD1 4.49Å; F100-I104 WeakPolarHBondContact O-CB 3.18Å; F100-I104 WeakPolarHBondContact O-CD1 3.49Å; F100-I104 VanDerWaalsContact O-CG1 3.28Å; F100-I104 WeakPolarHBondContact O-CG1 3.25Å; F100-I104 PolarHBondContact O-N 3.38Å; F100-Y132 HydrophobicContact CB-CE1 4.35Å; F100-Y132 WeakPolarHBondContact CB-OH 3.15Å; F100-L363 HydrophobicContact CE2-CD1 3.68Å; F100-L363 HydrophobicContact CZ-CD1 3.7Å; F100-M367 HydrophobicContact CD2-CE 3.83Å; F100-M367 HydrophobicContact CD2-SD 3.59Å; F100-M367 VanDerWaalsContact CD2-SD 3.59Å; F100-M367 HydrophobicContact CE2-CE 4.26Å; F100-M367 HydrophobicContact CE2-CG 4.39Å; F100-M367 HydrophobicContact CE2-SD 3.59Å; F100-M367 VanDerWaalsContact CE2-SD 3.59Å; F100-M367 HydrophobicContact CG-SD 4.23Å; F100-M367 HydrophobicContact CZ-SD 4.23Å |
| 101 | I | 88.2 | Confident | 88.3 | Confident | 6 Ų | 6 | 18.7 Ų | 18.7 | 3% | 0.031 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 174.5 | -165.9 | 174.7 | 0 | 0 | 0 | 111.8 | I98 L99 I104 Y105 Y132 V136 V269 I270 L324 | I98-I101 WeakPolarHBondContact O-CB 3.44Å; I98-I101 WeakPolarHBondContact O-CG2 3.33Å; I98-I101 PolarHBondContact O-N 3.32Å; I98-I101 VanDerWaalsContact O-N 3.15Å; L99-I101 PolarHBondContact O-N 3.35Å; I101-I104 PolarHBondContact O-N 2.91Å; I101-Y105 HydrophobicContact CD1-CE2 4.22Å; I101-Y105 HydrophobicContact CG1-CD2 3.68Å; I101-Y105 HydrophobicContact CG1-CE2 3.69Å; I101-Y105 HydrophobicContact CG1-CG 4.47Å; I101-Y105 WeakPolarHBondContact O-CB 3.3Å; I101-Y105 VanDerWaalsContact O-CD2 3.26Å; I101-Y105 WeakPolarHBondContact O-CD2 3.29Å; I101-Y105 PolarHBondContact O-N 3.49Å; I101-Y132 HydrophobicContact CB-CD1 4.23Å; I101-Y132 HydrophobicContact CB-CE1 4.01Å; I101-Y132 HydrophobicContact CG1-CD1 4.24Å; I101-V136 HydrophobicContact CB-CG2 3.91Å; I101-V136 HydrophobicContact CD1-CB 4.36Å; I101-V136 HydrophobicContact CD1-CG1 4.15Å; I101-V136 HydrophobicContact CD1-CG2 4.04Å; I101-V136 HydrophobicContact CG1-CG2 4.13Å; I101-V269 HydrophobicContact CD1-CG1 4.05Å; I101-I270 HydrophobicContact CD1-CG1 4.48Å; I101-L324 HydrophobicContact CG2-CD1 4.34Å |
| 102 | V | 89.7 | Confident | 88 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.4 | -52.8 | -177.4 | 170.8 | 0 | 0 | 0 | 0 | 112.4 | A71 T75 F100 I104 Y105 A106 M317 A320 A321 L324 | A71-V102 HydrophobicContact CB-CG1 4.19Å; T75-V102 HydrophobicContact CG2-CB 3.82Å; T75-V102 HydrophobicContact CG2-CG1 3.63Å; T75-V102 HydrophobicContact CG2-CG2 4.46Å; F100-V102 VanDerWaalsContact C-N 3.34Å; F100-V102 PolarHBondContact O-N 2.92Å; V102-I104 VanDerWaalsContact C-N 3.29Å; V102-I104 PolarHBondContact O-N 3.42Å; V102-Y105 PolarHBondContact O-N 3.21Å; V102-A106 WeakPolarHBondContact O-CB 3.36Å; V102-A106 PolarHBondContact O-N 3.22Å; V102-M317 HydrophobicContact CG1-CB 4.23Å; V102-M317 WeakPolarHBondContact CG1-O 3.37Å; V102-M317 HydrophobicContact CG2-SD 4.22Å; V102-A320 HydrophobicContact CG2-CB 4.15Å; V102-A321 HydrophobicContact CG1-CB 4.06Å; V102-L324 HydrophobicContact CB-CD1 4.46Å; V102-L324 HydrophobicContact CG2-CD1 3.23Å |
| 103 | P | 90.9 | Very high | 87.7 | Confident | 17 Ų | 17 | 17.9 Ų | 17.9 | 11% | 0.11 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63 | -36.3 | 180 | 22.8 | -33.5 | 0 | 0 | 0 | 112.4 | L72 L99 F100 F107 | L72-P103 VanDerWaalsContact CD2-CA 3.49Å; L72-P103 HydrophobicContact CD2-CB 3.38Å; L99-P103 WeakPolarHBondContact O-CD 3.36Å; F100-P103 VanDerWaalsContact C-CD 3.5Å; F100-P103 HydrophobicContact CB-CG 4.5Å; F100-P103 HydrophobicContact CD1-CG 3.94Å; F100-P103 VanDerWaalsContact O-CD 3.28Å; F100-P103 WeakPolarHBondContact O-CD 3.45Å; F100-P103 VanDerWaalsContact O-CG 3.29Å; F100-P103 WeakPolarHBondContact O-CG 3.18Å; P103-F107 WeakPolarHBondContact O-CB 2.94Å; P103-F107 PolarHBondContact O-N 2.91Å |
| 104 | I | 89.2 | Confident | 87.3 | Confident | 45 Ų | 45 | 19.2 Ų | 19.2 | 23% | 0.231 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.8 | -52.8 | 176.6 | -68.2 | 170 | 0 | 0 | 0 | 110 | F100 I101 V102 D108 Y132 | F100-I104 HydrophobicContact CB-CD1 4.49Å; F100-I104 WeakPolarHBondContact O-CB 3.18Å; F100-I104 WeakPolarHBondContact O-CD1 3.49Å; F100-I104 VanDerWaalsContact O-CG1 3.28Å; F100-I104 WeakPolarHBondContact O-CG1 3.25Å; F100-I104 PolarHBondContact O-N 3.38Å; I101-I104 PolarHBondContact O-N 2.91Å; V102-I104 VanDerWaalsContact C-N 3.29Å; V102-I104 PolarHBondContact O-N 3.42Å; I104-D108 WeakPolarHBondContact O-CB 3.29Å; I104-D108 PolarHBondContact O-N 2.98Å; I104-Y132 HydrophobicContact CD1-CD1 3.89Å; I104-Y132 HydrophobicContact CD1-CD2 3.36Å; I104-Y132 HydrophobicContact CD1-CE1 3.82Å; I104-Y132 HydrophobicContact CD1-CE2 3.27Å; I104-Y132 HydrophobicContact CD1-CG 3.67Å |
| 105 | Y | 87.2 | Confident | 86.6 | Confident | 5 Ų | 5 | 23.4 Ų | 23.4 | 2% | 0.02 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.9 | -40.9 | -178 | -85.9 | -116.5 | 0 | 0 | 0 | 112.7 | I101 V102 S109 R129 E133 I313 M317 | I101-Y105 HydrophobicContact CD1-CE2 4.22Å; I101-Y105 HydrophobicContact CG1-CD2 3.68Å; I101-Y105 HydrophobicContact CG1-CE2 3.69Å; I101-Y105 HydrophobicContact CG1-CG 4.47Å; I101-Y105 WeakPolarHBondContact O-CB 3.3Å; I101-Y105 VanDerWaalsContact O-CD2 3.26Å; I101-Y105 WeakPolarHBondContact O-CD2 3.29Å; I101-Y105 PolarHBondContact O-N 3.49Å; V102-Y105 PolarHBondContact O-N 3.21Å; Y105-S109 WeakPolarHBondContact O-CB 3.49Å; Y105-S109 PolarHBondContact O-N 3.12Å; Y105-S109 PolarHBondContact O-OG 3.34Å; Y105-R129 HydrophobicContact CD2-CG 4.3Å; Y105-R129 HydrophobicContact CE2-CB 4.23Å; Y105-R129 HydrophobicContact CE2-CG 4.29Å; Y105-R129 HydrophobicContact CG-CG 4.48Å; Y105-R129 PolarHBondContact OH-O 3.29Å; Y105-E133 WeakPolarHBondContact OH-CB 3.47Å; Y105-I313 HydrophobicContact CD1-CG2 4.42Å; Y105-M317 HydrophobicContact CD1-CE 4.36Å; Y105-M317 HydrophobicContact CG-SD 4.44Å |
| 106 | A | 89.4 | Confident | 85.5 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.2 | -46.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V68 V102 W110 M317 | V68-A106 HydrophobicContact CB-CB 4.49Å; V68-A106 HydrophobicContact CG1-CB 4.03Å; V68-A106 HydrophobicContact CG2-CB 4.25Å; V102-A106 WeakPolarHBondContact O-CB 3.36Å; V102-A106 PolarHBondContact O-N 3.22Å; A106-W110 VanDerWaalsContact O-CB 3.25Å; A106-W110 WeakPolarHBondContact O-CB 3.38Å; A106-W110 PolarHBondContact O-N 3.24Å; A106-M317 HydrophobicContact CB-CB 3.87Å; A106-M317 HydrophobicContact CB-CG 4.17Å |
| 107 | F | 89 | Confident | 83.9 | Confident | 97 Ų | 97 | 29.3 Ų | 29.3 | 43% | 0.425 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -67.3 | -45.2 | 179.2 | -175.2 | -102.7 | 0 | 0 | 0 | 111.3 | P103 W110 L111 | P103-F107 WeakPolarHBondContact O-CB 2.94Å; P103-F107 PolarHBondContact O-N 2.91Å; F107-W110 HydrophobicContact CD2-CE3 4.28Å; F107-W110 HydrophobicContact CE2-CE3 4.33Å; F107-W110 HydrophobicContact CE2-CZ3 4.26Å; F107-W110 PolarHBondContact O-N 3.32Å; F107-L111 HydrophobicContact CE1-CD2 3.9Å; F107-L111 HydrophobicContact CZ-CD2 4.4Å; F107-L111 VanDerWaalsContact O-CB 3.26Å; F107-L111 WeakPolarHBondContact O-CB 3.5Å; F107-L111 PolarHBondContact O-N 3.19Å |
| 108 | D | 87 | Confident | 82.5 | Confident | 11 Ų | 11 | 33.1 Ų | 33.1 | 6% | 0.059 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -46.1 | -179.8 | -171.1 | 85.9 | 0 | 0 | 0 | 112.2 | I104 W110 L111 S112 F125 R129 | I104-D108 WeakPolarHBondContact O-CB 3.29Å; I104-D108 PolarHBondContact O-N 2.98Å; D108-W110 VanDerWaalsContact C-N 3.34Å; D108-W110 PolarHBondContact O-N 2.77Å; D108-L111 PolarHBondContact O-N 3.2Å; D108-S112 VanDerWaalsContact O-CB 3.28Å; D108-S112 WeakPolarHBondContact O-CB 3.37Å; D108-S112 PolarHBondContact O-N 3.16Å; D108-F125 VanDerWaalsContact OD1-CA 3.3Å; D108-F125 WeakPolarHBondContact OD1-CA 3.18Å; D108-F125 WeakPolarHBondContact OD1-CB 3.17Å; D108-F125 WeakPolarHBondContact OD1-CD1 3.3Å; D108-F125 WeakPolarHBondContact OD1-CG 3.46Å; D108-F125 WeakPolarHBondContact OD2-CB 3.28Å; D108-R129 HydrophobicContact CB-CG 4.12Å; D108-R129 VanDerWaalsContact CG-CD 3.5Å; D108-R129 WeakPolarHBondContact OD2-CD 3.26Å; D108-R129 IonicContact OD2-NH1 3.66Å |
| 109 | S | 85.1 | Confident | 81 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -40.5 | 176.2 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | Y105 S112 L113 R129 I313 | Y105-S109 WeakPolarHBondContact O-CB 3.49Å; Y105-S109 PolarHBondContact O-N 3.12Å; Y105-S109 PolarHBondContact O-OG 3.34Å; S109-S112 PolarHBondContact O-N 3.1Å; S109-L113 VanDerWaalsContact O-CG 3.26Å; S109-L113 WeakPolarHBondContact O-CG 3.48Å; S109-L113 PolarHBondContact O-N 3.41Å; S109-R129 PolarHBondContact OG-NH1 3.35Å; S109-I313 WeakPolarHBondContact OG-CG2 3.41Å |
| 110 | W | 87.4 | Confident | 79.6 | Confident | 48 Ų | 48 | 45.6 Ų | 45.6 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.5 | -41.1 | 175.7 | -177.5 | 56.8 | 0 | 0 | 0 | 112.3 | V68 W69 A106 F107 D108 L113 L114 | V68-W110 HydrophobicContact CB-CB 4.36Å; V68-W110 HydrophobicContact CB-CG 4.48Å; V68-W110 HydrophobicContact CG1-CB 4.01Å; V68-W110 HydrophobicContact CG1-CG 4.28Å; V68-W110 HydrophobicContact CG2-CB 3.92Å; V68-W110 HydrophobicContact CG2-CG 4.36Å; W69-W110 AromaticContact NE1-CH2 3.78Å; A106-W110 VanDerWaalsContact O-CB 3.25Å; A106-W110 WeakPolarHBondContact O-CB 3.38Å; A106-W110 PolarHBondContact O-N 3.24Å; F107-W110 HydrophobicContact CD2-CE3 4.28Å; F107-W110 HydrophobicContact CE2-CE3 4.33Å; F107-W110 HydrophobicContact CE2-CZ3 4.26Å; F107-W110 PolarHBondContact O-N 3.32Å; D108-W110 VanDerWaalsContact C-N 3.34Å; D108-W110 PolarHBondContact O-N 2.77Å; W110-L113 WeakPolarHBondContact O-CB 3.27Å; W110-L113 PolarHBondContact O-N 3.25Å; W110-L114 HydrophobicContact CD2-CD1 4.05Å; W110-L114 HydrophobicContact CE3-CD1 4.35Å; W110-L114 HydrophobicContact CH2-CD1 4.02Å; W110-L114 HydrophobicContact CZ2-CD1 3.69Å; W110-L114 HydrophobicContact CZ3-CD1 4.34Å; W110-L114 WeakPolarHBondContact O-CG 3.25Å; W110-L114 PolarHBondContact O-N 3.46Å |
| 111 | L | 85 | Confident | 78.5 | Confident | 30 Ų | 30 | 49.9 Ų | 49.9 | 16% | 0.157 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.2 | -41.7 | 178 | -160.1 | 62.3 | 0 | 0 | 0 | 111.2 | F107 D108 L113 L114 F115 F125 | F107-L111 HydrophobicContact CE1-CD2 3.9Å; F107-L111 HydrophobicContact CZ-CD2 4.4Å; F107-L111 VanDerWaalsContact O-CB 3.26Å; F107-L111 WeakPolarHBondContact O-CB 3.5Å; F107-L111 PolarHBondContact O-N 3.19Å; D108-L111 PolarHBondContact O-N 3.2Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 3.22Å; L111-L114 PolarHBondContact O-N 3.19Å; L111-F115 HydrophobicContact CD1-CD2 3.77Å; L111-F115 HydrophobicContact CD1-CE2 3.42Å; L111-F115 VanDerWaalsContact CD1-CE2 3.42Å; L111-F115 HydrophobicContact CG-CD2 3.82Å; L111-F115 HydrophobicContact CG-CE2 3.92Å; L111-F115 WeakPolarHBondContact O-CD2 3.42Å; L111-F115 PolarHBondContact O-N 3.02Å; L111-F125 HydrophobicContact CD2-CD1 4.39Å; L111-F125 HydrophobicContact CD2-CE1 3.46Å; L111-F125 VanDerWaalsContact CD2-CE1 3.46Å; L111-F125 HydrophobicContact CD2-CE2 4.22Å; L111-F125 HydrophobicContact CD2-CZ 3.36Å; L111-F125 HydrophobicContact CG-CE1 4.37Å; L111-F125 HydrophobicContact CG-CE2 4.33Å; L111-F125 HydrophobicContact CG-CZ 3.92Å |
| 112 | S | 79.8 | Confident | 77.5 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 4% | 0.035 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.8 | -40.5 | 173.2 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | D108 S109 L114 F115 F116 Y122 N310 | D108-S112 VanDerWaalsContact O-CB 3.28Å; D108-S112 WeakPolarHBondContact O-CB 3.37Å; D108-S112 PolarHBondContact O-N 3.16Å; S109-S112 PolarHBondContact O-N 3.1Å; S112-L114 VanDerWaalsContact C-N 3.33Å; S112-L114 PolarHBondContact O-N 2.88Å; S112-F115 PolarHBondContact O-N 3.39Å; S112-F116 PolarHBondContact O-N 3.22Å; S112-Y122 VanDerWaalsContact OG-CD2 3.27Å; S112-Y122 WeakPolarHBondContact OG-CD2 3.39Å; S112-N310 WeakPolarHBondContact CB-ND2 3.4Å; S112-N310 PolarHBondContact OG-ND2 3.3Å |
| 113 | L | 79.7 | Confident | 76.5 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.8 | -26.3 | 172.9 | -68.2 | 172.6 | 0 | 0 | 0 | 114.1 | L55 S109 W110 L111 F116 G307 N310 F311 | L55-L113 HydrophobicContact CD2-CD2 4.4Å; S109-L113 VanDerWaalsContact O-CG 3.26Å; S109-L113 WeakPolarHBondContact O-CG 3.48Å; S109-L113 PolarHBondContact O-N 3.41Å; W110-L113 WeakPolarHBondContact O-CB 3.27Å; W110-L113 PolarHBondContact O-N 3.25Å; L111-L113 VanDerWaalsContact C-N 3.31Å; L111-L113 PolarHBondContact O-N 3.22Å; L113-F116 VanDerWaalsContact CA-CE2 3.49Å; L113-F116 HydrophobicContact CB-CE2 4.03Å; L113-F116 HydrophobicContact CD2-CE2 3.4Å; L113-F116 HydrophobicContact CD2-CZ 3.44Å; L113-F116 VanDerWaalsContact CD2-CZ 3.44Å; L113-F116 HydrophobicContact CG-CE2 4.29Å; L113-F116 WeakPolarHBondContact O-CD2 3.11Å; L113-F116 WeakPolarHBondContact O-CE2 3.44Å; L113-G307 VanDerWaalsContact CD2-O 3.29Å; L113-G307 WeakPolarHBondContact CD2-O 3.38Å; L113-N310 HydrophobicContact CD2-CB 4.04Å; L113-N310 HydrophobicContact CG-CB 4.06Å; L113-F311 HydrophobicContact CD1-CB 4.25Å; L113-F311 HydrophobicContact CD1-CD2 4.39Å; L113-F311 HydrophobicContact CD2-CB 4.21Å |
| 114 | L | 79.2 | Confident | 75.7 | Confident | 71 Ų | 71 | 58.6 Ų | 58.6 | 37% | 0.372 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -83.1 | -31.1 | 177.5 | -72.8 | 177.4 | 0 | 0 | 0 | 112.3 | W110 L111 S112 | W110-L114 HydrophobicContact CD2-CD1 4.05Å; W110-L114 HydrophobicContact CE3-CD1 4.35Å; W110-L114 HydrophobicContact CH2-CD1 4.02Å; W110-L114 HydrophobicContact CZ2-CD1 3.69Å; W110-L114 HydrophobicContact CZ3-CD1 4.34Å; W110-L114 WeakPolarHBondContact O-CG 3.25Å; W110-L114 PolarHBondContact O-N 3.46Å; L111-L114 PolarHBondContact O-N 3.19Å; S112-L114 VanDerWaalsContact C-N 3.33Å; S112-L114 PolarHBondContact O-N 2.88Å |
| 115 | F | 74.1 | Confident | 75.1 | Confident | 103 Ų | 103 | 58.6 Ų | 58.6 | 45% | 0.452 | 27% | 0.271 | S | S | . | . | trans | -105.3 | 29.1 | -176.4 | -68.9 | -67.7 | 0 | 0 | 0 | 114.2 | L111 S112 T117 N118 | L111-F115 HydrophobicContact CD1-CD2 3.77Å; L111-F115 HydrophobicContact CD1-CE2 3.42Å; L111-F115 VanDerWaalsContact CD1-CE2 3.42Å; L111-F115 HydrophobicContact CG-CD2 3.82Å; L111-F115 HydrophobicContact CG-CE2 3.92Å; L111-F115 WeakPolarHBondContact O-CD2 3.42Å; L111-F115 PolarHBondContact O-N 3.02Å; S112-F115 PolarHBondContact O-N 3.39Å; F115-T117 PolarHBondContact O-N 3.48Å; F115-N118 PolarHBondContact O-N 3.35Å; F115-N118 VanDerWaalsContact O-N 3.15Å | ||
| 116 | F | 64.3 | Low | 74.4 | Confident | 29 Ų | 29 | 60.2 Ų | 60.2 | 13% | 0.127 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -26.3 | 176.3 | -91.6 | -66.6 | 0 | 0 | 0 | 115.2 | L55 M56 S112 L113 N118 | L55-F116 HydrophobicContact CB-CE2 4.27Å; L55-F116 HydrophobicContact CB-CZ 4.33Å; L55-F116 HydrophobicContact CD1-CZ 4.18Å; M56-F116 HydrophobicContact CE-CB 3.45Å; M56-F116 VanDerWaalsContact CE-CB 3.45Å; M56-F116 HydrophobicContact CE-CD2 4.3Å; M56-F116 HydrophobicContact CE-CG 4.09Å; S112-F116 PolarHBondContact O-N 3.22Å; L113-F116 VanDerWaalsContact CA-CE2 3.49Å; L113-F116 HydrophobicContact CB-CE2 4.03Å; L113-F116 HydrophobicContact CD2-CE2 3.4Å; L113-F116 HydrophobicContact CD2-CZ 3.44Å; L113-F116 VanDerWaalsContact CD2-CZ 3.44Å; L113-F116 HydrophobicContact CG-CE2 4.29Å; L113-F116 WeakPolarHBondContact O-CD2 3.11Å; L113-F116 WeakPolarHBondContact O-CE2 3.44Å; F116-N118 VanDerWaalsContact C-N 3.34Å; F116-N118 PolarHBondContact O-N 3.32Å |
| 117 | T | 56.6 | Low | 73.9 | Confident | 96 Ų | 96 | 61.8 Ų | 61.8 | 59% | 0.589 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.7 | -173.1 | -42 | 0 | 0 | 0 | 0 | 113.8 | F115 | F115-T117 PolarHBondContact O-N 3.48Š|
| 118 | N | 61.2 | Low | 73.5 | Confident | 80 Ų | 80 | 61.1 Ų | 61.1 | 43% | 0.428 | 29% | 0.293 | S | S | . | . | trans | -116.4 | 93.4 | -176.6 | -60.4 | -42.8 | 0 | 0 | 0 | 110.6 | F115 F116 E120 Y121 | F115-N118 PolarHBondContact O-N 3.35Å; F115-N118 VanDerWaalsContact O-N 3.15Å; F116-N118 VanDerWaalsContact C-N 3.34Å; F116-N118 PolarHBondContact O-N 3.32Å; N118-E120 PolarHBondContact O-N 3.37Å; N118-Y121 HydrophobicContact CB-CD2 3.6Å; N118-Y121 HydrophobicContact CB-CE2 4.15Å; N118-Y121 PolarHBondContact O-N 2.95Å | ||
| 119 | E | 58.5 | Low | 73.2 | Confident | 109 Ų | 109 | 61.2 Ų | 61.2 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.5 | -25.2 | -174.7 | -62.5 | -176.3 | 167.6 | 0 | 0 | 114.1 | ||
| 120 | E | 59.9 | Low | 72.9 | Confident | 155 Ų | 155 | 64.1 Ų | 64.1 | 72% | 0.724 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -76.3 | -28.2 | -178.6 | -63.1 | -161.3 | 163.5 | 0 | 0 | 114.4 | N118 Y124 | N118-E120 PolarHBondContact O-N 3.37Å; E120-Y124 WeakPolarHBondContact O-CD2 3.32Å; E120-Y124 WeakPolarHBondContact O-CE2 3.12Å |
| 121 | Y | 66.4 | Low | 72.7 | Confident | 136 Ų | 136 | 64 Ų | 64 | 53% | 0.533 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -78.2 | -28 | -175.5 | -72.9 | -75.1 | 0 | 0 | 0 | 113.3 | N118 V123 Y124 F125 | N118-Y121 HydrophobicContact CB-CD2 3.6Å; N118-Y121 HydrophobicContact CB-CE2 4.15Å; N118-Y121 PolarHBondContact O-N 2.95Å; Y121-V123 VanDerWaalsContact C-N 3.27Å; Y121-V123 PolarHBondContact O-N 3.41Å; Y121-Y124 PolarHBondContact O-N 2.91Å; Y121-F125 WeakPolarHBondContact O-CD2 3.36Å; Y121-F125 PolarHBondContact O-N 3.27Å |
| 122 | Y | 67.9 | Low | 72.8 | Confident | 43 Ų | 43 | 64 Ų | 64 | 17% | 0.169 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -54.4 | -43.4 | -179.4 | 176.7 | -89.6 | 0 | 0 | 0 | 112.3 | S112 Y124 F125 D126 A306 | S112-Y122 VanDerWaalsContact OG-CD2 3.27Å; S112-Y122 WeakPolarHBondContact OG-CD2 3.39Å; Y122-Y124 VanDerWaalsContact C-N 3.33Å; Y122-Y124 PolarHBondContact O-N 2.86Å; Y122-F125 PolarHBondContact O-N 2.92Å; Y122-D126 WeakPolarHBondContact CE1-OD2 2.99Å; Y122-D126 PolarHBondContact O-N 2.95Å; Y122-D126 PolarHBondContact OH-OD1 2.86Å; Y122-D126 PolarHBondContact OH-OD2 3.04Å; Y122-A306 HydrophobicContact CE1-CB 4.39Å; Y122-A306 HydrophobicContact CE2-CB 3.63Å; Y122-A306 WeakPolarHBondContact OH-CB 3.31Å |
| 123 | V | 68.9 | Low | 73 | Confident | 18 Ų | 18 | 64.1 Ų | 64.1 | 11% | 0.109 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.7 | -38.7 | -178 | 178.8 | 0 | 0 | 0 | 0 | 112.3 | Y121 T127 | Y121-V123 VanDerWaalsContact C-N 3.27Å; Y121-V123 PolarHBondContact O-N 3.41Å; V123-T127 WeakPolarHBondContact O-CB 3.12Å; V123-T127 PolarHBondContact O-N 3.48Å; V123-T127 PolarHBondContact O-OG1 3.39Å |
| 124 | Y | 73.2 | Confident | 73.2 | Confident | 144 Ų | 144 | 64 Ų | 64 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -68.8 | -40.4 | -179.9 | -68.8 | -78.5 | 0 | 0 | 0 | 111.5 | E120 Y121 Y122 T127 V128 | E120-Y124 WeakPolarHBondContact O-CD2 3.32Å; E120-Y124 WeakPolarHBondContact O-CE2 3.12Å; Y121-Y124 PolarHBondContact O-N 2.91Å; Y122-Y124 VanDerWaalsContact C-N 3.33Å; Y122-Y124 PolarHBondContact O-N 2.86Å; Y124-T127 PolarHBondContact O-N 2.99Å; Y124-V128 WeakPolarHBondContact O-CG2 3.42Å; Y124-V128 PolarHBondContact O-N 3.36Å |
| 125 | F | 76.4 | Confident | 73.6 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 20% | 0.202 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 176.8 | -72.1 | -44.9 | 0 | 0 | 0 | 111.6 | D108 L111 Y121 Y122 T127 V128 R129 | D108-F125 VanDerWaalsContact OD1-CA 3.3Å; D108-F125 WeakPolarHBondContact OD1-CA 3.18Å; D108-F125 WeakPolarHBondContact OD1-CB 3.17Å; D108-F125 WeakPolarHBondContact OD1-CD1 3.3Å; D108-F125 WeakPolarHBondContact OD1-CG 3.46Å; D108-F125 WeakPolarHBondContact OD2-CB 3.28Å; L111-F125 HydrophobicContact CD2-CD1 4.39Å; L111-F125 HydrophobicContact CD2-CE1 3.46Å; L111-F125 VanDerWaalsContact CD2-CE1 3.46Å; L111-F125 HydrophobicContact CD2-CE2 4.22Å; L111-F125 HydrophobicContact CD2-CZ 3.36Å; L111-F125 HydrophobicContact CG-CE1 4.37Å; L111-F125 HydrophobicContact CG-CE2 4.33Å; L111-F125 HydrophobicContact CG-CZ 3.92Å; Y121-F125 WeakPolarHBondContact O-CD2 3.36Å; Y121-F125 PolarHBondContact O-N 3.27Å; Y122-F125 PolarHBondContact O-N 2.92Å; F125-T127 VanDerWaalsContact C-N 3.34Å; F125-T127 PolarHBondContact O-N 3.46Å; F125-V128 PolarHBondContact O-N 2.87Å; F125-R129 PolarHBondContact O-N 3.4Å; F125-R129 VanDerWaalsContact O-N 3.16Å |
| 126 | D | 73.9 | Confident | 74.1 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 174.9 | -88.2 | 10.8 | 0 | 0 | 0 | 112.4 | Y122 V128 R129 D130 | Y122-D126 WeakPolarHBondContact CE1-OD2 2.99Å; Y122-D126 PolarHBondContact O-N 2.95Å; Y122-D126 PolarHBondContact OH-OD1 2.86Å; Y122-D126 PolarHBondContact OH-OD2 3.04Å; D126-V128 VanDerWaalsContact C-N 3.32Å; D126-V128 PolarHBondContact O-N 2.77Å; D126-R129 PolarHBondContact O-N 3.05Å; D126-R129 IonicContact OD1-NH1 3.97Å; D126-D130 WeakPolarHBondContact O-CB 3.04Å; D126-D130 PolarHBondContact O-N 3.23Å |
| 127 | T | 78.1 | Confident | 75.1 | Confident | 33 Ų | 33 | 55.5 Ų | 55.5 | 20% | 0.202 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59 | -41 | 177.2 | -63.9 | 0 | 0 | 0 | 0 | 112.6 | V123 Y124 F125 D130 C131 A202 | V123-T127 WeakPolarHBondContact O-CB 3.12Å; V123-T127 PolarHBondContact O-N 3.48Å; V123-T127 PolarHBondContact O-OG1 3.39Å; Y124-T127 PolarHBondContact O-N 2.99Å; F125-T127 VanDerWaalsContact C-N 3.34Å; F125-T127 PolarHBondContact O-N 3.46Å; T127-D130 PolarHBondContact O-N 2.86Å; T127-C131 PolarHBondContact O-N 3.41Å; T127-C131 VanDerWaalsContact O-N 3.12Å; T127-C131 PolarHBondContact O-SG 3.35Å; T127-A202 HydrophobicContact CG2-CB 3.83Å |
| 128 | V | 80.9 | Confident | 76.6 | Confident | 83 Ų | 83 | 51.1 Ų | 51.1 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.5 | -45.1 | 178.7 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | Y124 F125 D126 D130 C131 Y132 | Y124-V128 WeakPolarHBondContact O-CG2 3.42Å; Y124-V128 PolarHBondContact O-N 3.36Å; F125-V128 PolarHBondContact O-N 2.87Å; D126-V128 VanDerWaalsContact C-N 3.32Å; D126-V128 PolarHBondContact O-N 2.77Å; V128-D130 VanDerWaalsContact C-N 3.32Å; V128-D130 PolarHBondContact O-N 2.82Å; V128-C131 PolarHBondContact O-N 3.47Å; V128-Y132 PolarHBondContact O-N 3.48Å; V128-Y132 VanDerWaalsContact O-N 3.09Å |
| 129 | R | 81.3 | Confident | 77.9 | Confident | 13 Ų | 13 | 47.3 Ų | 47.3 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -45.1 | 176.2 | -77.6 | 169.6 | 53.4 | -179.7 | -8.8 | 111.7 | Y105 D108 S109 F125 D126 C131 Y132 E133 N310 | Y105-R129 HydrophobicContact CD2-CG 4.3Å; Y105-R129 HydrophobicContact CE2-CB 4.23Å; Y105-R129 HydrophobicContact CE2-CG 4.29Å; Y105-R129 HydrophobicContact CG-CG 4.48Å; Y105-R129 PolarHBondContact OH-O 3.29Å; D108-R129 HydrophobicContact CB-CG 4.12Å; D108-R129 VanDerWaalsContact CG-CD 3.5Å; D108-R129 WeakPolarHBondContact OD2-CD 3.26Å; D108-R129 IonicContact OD2-NH1 3.66Å; S109-R129 PolarHBondContact OG-NH1 3.35Å; F125-R129 PolarHBondContact O-N 3.4Å; F125-R129 VanDerWaalsContact O-N 3.16Å; D126-R129 PolarHBondContact O-N 3.05Å; D126-R129 IonicContact OD1-NH1 3.97Å; R129-C131 PolarHBondContact O-N 2.71Å; R129-Y132 WeakPolarHBondContact O-CB 3.24Å; R129-Y132 PolarHBondContact O-N 3.2Å; R129-Y132 VanDerWaalsContact O-N 3.1Å; R129-E133 PolarHBondContact O-N 2.93Å; R129-N310 PolarHBondContact NH1-OD1 2.86Å |
| 130 | D | 79.1 | Confident | 79.2 | Confident | 62 Ų | 62 | 42.5 Ų | 42.5 | 33% | 0.332 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61 | -43.7 | 179.8 | -84 | -20.4 | 0 | 0 | 0 | 112.7 | D126 T127 V128 Y132 E133 K198 | D126-D130 WeakPolarHBondContact O-CB 3.04Å; D126-D130 PolarHBondContact O-N 3.23Å; T127-D130 PolarHBondContact O-N 2.86Å; V128-D130 VanDerWaalsContact C-N 3.32Å; V128-D130 PolarHBondContact O-N 2.82Å; D130-Y132 VanDerWaalsContact C-N 3.27Å; D130-Y132 PolarHBondContact O-N 2.82Å; D130-E133 PolarHBondContact O-N 2.84Å; D130-K198 HydrophobicContact CB-CG 4.38Å; D130-K198 VanDerWaalsContact O-CD 3.31Å; D130-K198 WeakPolarHBondContact O-CD 3.46Å; D130-K198 WeakPolarHBondContact O-CE 3.34Å; D130-K198 WeakPolarHBondContact O-CG 3.27Å; D130-K198 WeakPolarHBondContact OD1-CE 3.43Å; D130-K198 IonicContact OD1-NZ 3.45Å; D130-K198 PolarHBondContact OD1-NZ 2.97Å |
| 131 | C | 83.2 | Confident | 80.3 | Confident | 45 Ų | 45 | 35.3 Ų | 35.3 | 30% | 0.304 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.3 | -38.2 | 175.9 | -67.7 | 0 | 0 | 0 | 0 | 111.5 | T127 V128 R129 F135 | T127-C131 PolarHBondContact O-N 3.41Å; T127-C131 VanDerWaalsContact O-N 3.12Å; T127-C131 PolarHBondContact O-SG 3.35Å; V128-C131 PolarHBondContact O-N 3.47Å; R129-C131 PolarHBondContact O-N 2.71Å; C131-F135 PolarHBondContact O-N 2.68Å |
| 132 | Y | 86.4 | Confident | 81.3 | Confident | 30 Ų | 30 | 29.4 Ų | 29.4 | 12% | 0.118 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.7 | -35.7 | -179.6 | -154.1 | -95.9 | 0 | 0 | 0 | 113 | R97 F100 I101 I104 V128 R129 D130 A134 F135 V136 | R97-Y132 PolarHBondContact O-OH 3.45Å; F100-Y132 HydrophobicContact CB-CE1 4.35Å; F100-Y132 WeakPolarHBondContact CB-OH 3.15Å; I101-Y132 HydrophobicContact CB-CD1 4.23Å; I101-Y132 HydrophobicContact CB-CE1 4.01Å; I101-Y132 HydrophobicContact CG1-CD1 4.24Å; I104-Y132 HydrophobicContact CD1-CD1 3.89Å; I104-Y132 HydrophobicContact CD1-CD2 3.36Å; I104-Y132 HydrophobicContact CD1-CE1 3.82Å; I104-Y132 HydrophobicContact CD1-CE2 3.27Å; I104-Y132 HydrophobicContact CD1-CG 3.67Å; V128-Y132 PolarHBondContact O-N 3.48Å; V128-Y132 VanDerWaalsContact O-N 3.09Å; R129-Y132 WeakPolarHBondContact O-CB 3.24Å; R129-Y132 PolarHBondContact O-N 3.2Å; R129-Y132 VanDerWaalsContact O-N 3.1Å; D130-Y132 VanDerWaalsContact C-N 3.27Å; D130-Y132 PolarHBondContact O-N 2.82Å; Y132-A134 VanDerWaalsContact C-N 3.3Å; Y132-A134 PolarHBondContact O-N 2.96Å; Y132-F135 HydrophobicContact CD2-CD1 4.34Å; Y132-F135 AromaticContact CE2-CD1 3.82Å; Y132-F135 HydrophobicContact CE2-CD1 3.82Å; Y132-F135 HydrophobicContact CE2-CE1 4.34Å; Y132-F135 WeakPolarHBondContact O-CB 2.99Å; Y132-F135 PolarHBondContact O-N 2.73Å; Y132-V136 HydrophobicContact CD1-CG2 3.53Å; Y132-V136 HydrophobicContact CE1-CG2 3.35Å; Y132-V136 WeakPolarHBondContact O-CG2 3.33Å; Y132-V136 PolarHBondContact O-N 3.18Å |
| 133 | E | 83.1 | Confident | 82.1 | Confident | 7 Ų | 7 | 27.4 Ų | 27.4 | 3% | 0.033 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.8 | -47.2 | 176.3 | -161.3 | -171.1 | 110.9 | 0 | 0 | 111.5 | Y105 R129 D130 F135 V136 I137 K198 Y232 I270 | Y105-E133 WeakPolarHBondContact OH-CB 3.47Å; R129-E133 PolarHBondContact O-N 2.93Å; D130-E133 PolarHBondContact O-N 2.84Å; E133-F135 VanDerWaalsContact C-N 3.34Å; E133-F135 PolarHBondContact O-N 3.34Å; E133-V136 PolarHBondContact O-N 3.04Å; E133-I137 WeakPolarHBondContact O-CG1 3.42Å; E133-I137 PolarHBondContact O-N 3.04Å; E133-I137 VanDerWaalsContact O-N 3.16Å; E133-K198 IonicContact OE1-NZ 2.86Å; E133-K198 PolarHBondContact OE1-NZ 3.4Å; E133-K198 IonicContact OE2-NZ 2.75Å; E133-K198 PolarHBondContact OE2-NZ 3.44Å; E133-Y232 PolarHBondContact OE1-OH 3.43Å; E133-I270 HydrophobicContact CG-CG1 4.28Å; E133-I270 HydrophobicContact CG-CG2 3.86Å |
| 134 | A | 85.3 | Confident | 82.7 | Confident | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.017 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65 | -41.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y132 V136 I137 Y138 F194 C195 K198 | Y132-A134 VanDerWaalsContact C-N 3.3Å; Y132-A134 PolarHBondContact O-N 2.96Å; A134-V136 VanDerWaalsContact C-N 3.29Å; A134-V136 PolarHBondContact O-N 3.15Å; A134-I137 PolarHBondContact O-N 3.37Å; A134-Y138 PolarHBondContact O-N 3.48Å; A134-Y138 VanDerWaalsContact O-N 3.13Å; A134-F194 HydrophobicContact CB-CD1 3.84Å; A134-F194 HydrophobicContact CB-CE1 3.71Å; A134-C195 PolarHBondContact O-SG 3.33Å; A134-K198 HydrophobicContact CB-CB 4.02Å; A134-K198 HydrophobicContact CB-CD 4.28Å; A134-K198 HydrophobicContact CB-CG 4.47Å |
| 135 | F | 86.6 | Confident | 83.2 | Confident | 23 Ų | 23 | 20.8 Ų | 20.8 | 10% | 0.101 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.9 | -39.3 | 174.7 | -174.2 | -116.3 | 0 | 0 | 0 | 112.3 | R97 C131 Y132 E133 Y138 N139 M367 P369 M372 | R97-F135 HydrophobicContact CB-CE1 3.91Å; R97-F135 HydrophobicContact CB-CZ 4.43Å; R97-F135 HydrophobicContact CG-CE1 3.84Å; R97-F135 HydrophobicContact CG-CZ 3.99Å; C131-F135 PolarHBondContact O-N 2.68Å; Y132-F135 HydrophobicContact CD2-CD1 4.34Å; Y132-F135 AromaticContact CE2-CD1 3.82Å; Y132-F135 HydrophobicContact CE2-CD1 3.82Å; Y132-F135 HydrophobicContact CE2-CE1 4.34Å; Y132-F135 WeakPolarHBondContact O-CB 2.99Å; Y132-F135 PolarHBondContact O-N 2.73Å; E133-F135 VanDerWaalsContact C-N 3.34Å; E133-F135 PolarHBondContact O-N 3.34Å; F135-Y138 PolarHBondContact O-N 2.83Å; F135-N139 WeakPolarHBondContact CD1-ND2 3.19Å; F135-N139 WeakPolarHBondContact CD2-ND2 3.31Å; F135-N139 WeakPolarHBondContact CE1-ND2 3.42Å; F135-N139 VanDerWaalsContact CE2-ND2 3.28Å; F135-N139 WeakPolarHBondContact CE2-ND2 3.38Å; F135-N139 WeakPolarHBondContact CZ-ND2 3.24Å; F135-N139 PolarHBondContact O-N 3.25Å; F135-N139 PolarHBondContact O-ND2 2.98Å; F135-M367 HydrophobicContact CE1-CE 4.41Å; F135-P369 HydrophobicContact CE2-CB 4.36Å; F135-M372 HydrophobicContact CD2-CE 4.43Å; F135-M372 HydrophobicContact CD2-SD 3.94Å |
| 136 | V | 85.8 | Confident | 83.6 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.2 | -42.5 | 179 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | I98 I101 Y132 E133 A134 Y138 N139 F140 V266 I270 | I98-V136 HydrophobicContact CG1-CG1 4.42Å; I98-V136 HydrophobicContact CG2-CG1 4.33Å; I101-V136 HydrophobicContact CB-CG2 3.91Å; I101-V136 HydrophobicContact CD1-CB 4.36Å; I101-V136 HydrophobicContact CD1-CG1 4.15Å; I101-V136 HydrophobicContact CD1-CG2 4.04Å; I101-V136 HydrophobicContact CG1-CG2 4.13Å; Y132-V136 HydrophobicContact CD1-CG2 3.53Å; Y132-V136 HydrophobicContact CE1-CG2 3.35Å; Y132-V136 WeakPolarHBondContact O-CG2 3.33Å; Y132-V136 PolarHBondContact O-N 3.18Å; E133-V136 PolarHBondContact O-N 3.04Å; A134-V136 VanDerWaalsContact C-N 3.29Å; A134-V136 PolarHBondContact O-N 3.15Å; V136-Y138 VanDerWaalsContact C-N 3.33Å; V136-Y138 PolarHBondContact O-N 3.08Å; V136-N139 PolarHBondContact O-N 2.66Å; V136-F140 WeakPolarHBondContact O-CB 3.32Å; V136-F140 PolarHBondContact O-N 3.44Å; V136-V266 HydrophobicContact CG1-CG1 4.16Å; V136-I270 HydrophobicContact CG1-CD1 4.32Å |
| 137 | I | 85.1 | Confident | 83.8 | Confident | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 177.6 | -60.1 | -177.4 | 0 | 0 | 0 | 110.4 | E133 A134 F140 L141 T191 F194 L240 L243 I270 | E133-I137 WeakPolarHBondContact O-CG1 3.42Å; E133-I137 PolarHBondContact O-N 3.04Å; E133-I137 VanDerWaalsContact O-N 3.16Å; A134-I137 PolarHBondContact O-N 3.37Å; I137-F140 PolarHBondContact O-N 3.22Å; I137-L141 PolarHBondContact O-N 3.24Å; I137-T191 HydrophobicContact CG2-CG2 3.77Å; I137-F194 HydrophobicContact CD1-CD1 3.91Å; I137-F194 HydrophobicContact CD1-CE1 3.52Å; I137-F194 HydrophobicContact CD1-CZ 4.39Å; I137-F194 HydrophobicContact CG1-CE1 4.49Å; I137-L240 HydrophobicContact CD1-CD2 4.13Å; I137-L243 HydrophobicContact CG2-CD1 4.39Å; I137-I270 HydrophobicContact CD1-CD1 4.19Å; I137-I270 HydrophobicContact CG1-CD1 3.6Å |
| 138 | Y | 87.4 | Confident | 83.7 | Confident | 4 Ų | 4 | 20.7 Ų | 20.7 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.9 | -51 | 174.2 | 166.8 | -97.9 | 0 | 0 | 0 | 111.9 | A134 F135 V136 F140 L141 S142 L192 C195 M372 D375 | A134-Y138 PolarHBondContact O-N 3.48Å; A134-Y138 VanDerWaalsContact O-N 3.13Å; F135-Y138 PolarHBondContact O-N 2.83Å; V136-Y138 VanDerWaalsContact C-N 3.33Å; V136-Y138 PolarHBondContact O-N 3.08Å; Y138-F140 PolarHBondContact O-N 2.71Å; Y138-L141 PolarHBondContact O-N 2.93Å; Y138-L141 VanDerWaalsContact O-N 3.12Å; Y138-S142 WeakPolarHBondContact CE2-OG 3.48Å; Y138-S142 PolarHBondContact O-N 3Å; Y138-S142 PolarHBondContact O-OG 3.16Å; Y138-L192 HydrophobicContact CD2-CD2 3.71Å; Y138-L192 HydrophobicContact CD2-CG 4.49Å; Y138-L192 HydrophobicContact CE2-CD2 3.76Å; Y138-C195 VanDerWaalsContact CB-SG 3.56Å; Y138-M372 HydrophobicContact CD1-CB 3.97Å; Y138-M372 HydrophobicContact CD1-CG 3.84Å; Y138-M372 HydrophobicContact CD1-SD 4.1Å; Y138-M372 HydrophobicContact CD2-CG 4.02Å; Y138-M372 HydrophobicContact CE1-CB 3.58Å; Y138-M372 HydrophobicContact CE1-CG 3.9Å; Y138-M372 HydrophobicContact CE2-CB 4.32Å; Y138-M372 HydrophobicContact CE2-CG 4.06Å; Y138-M372 HydrophobicContact CG-CG 3.92Å; Y138-M372 HydrophobicContact CG-SD 4.16Å; Y138-M372 WeakPolarHBondContact OH-CA 3.21Å; Y138-D375 HydrophobicContact CE2-CB 4.34Å; Y138-D375 PolarHBondContact OH-OD2 2.85Å; Y138-D375 VanDerWaalsContact OH-OD2 3.06Å |
| 139 | N | 87.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.1 | -33.3 | -178 | -78.4 | -72.3 | 0 | 0 | 0 | 112.7 | H94 R97 I98 F135 V136 L143 | H94-N139 HydrophobicContact CB-CB 4.5Å; H94-N139 PolarHBondContact CD2-OD1 3.48Å; R97-N139 HydrophobicContact CB-CB 4.29Å; R97-N139 VanDerWaalsContact CD-CG 3.4Å; R97-N139 WeakPolarHBondContact CD-OD1 3.42Å; R97-N139 PolarHBondContact NH1-OD1 3.05Å; I98-N139 HydrophobicContact CG1-CB 4.05Å; F135-N139 WeakPolarHBondContact CD1-ND2 3.19Å; F135-N139 WeakPolarHBondContact CD2-ND2 3.31Å; F135-N139 WeakPolarHBondContact CE1-ND2 3.42Å; F135-N139 VanDerWaalsContact CE2-ND2 3.28Å; F135-N139 WeakPolarHBondContact CE2-ND2 3.38Å; F135-N139 WeakPolarHBondContact CZ-ND2 3.24Å; F135-N139 PolarHBondContact O-N 3.25Å; F135-N139 PolarHBondContact O-ND2 2.98Å; V136-N139 PolarHBondContact O-N 2.66Å; N139-L143 VanDerWaalsContact O-CB 3.23Å; N139-L143 WeakPolarHBondContact O-CB 3.48Å; N139-L143 PolarHBondContact O-N 3.49Å |
| 140 | F | 85.4 | Confident | 83.3 | Confident | 8 Ų | 8 | 19.3 Ų | 19.3 | 4% | 0.035 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.8 | -42.8 | 174.3 | -179.6 | -100.5 | 0 | 0 | 0 | 112 | I98 V136 I137 Y138 L143 C144 L243 F263 V266 | I98-F140 HydrophobicContact CD1-CB 4.06Å; I98-F140 HydrophobicContact CD1-CD2 4.23Å; V136-F140 WeakPolarHBondContact O-CB 3.32Å; V136-F140 PolarHBondContact O-N 3.44Å; I137-F140 PolarHBondContact O-N 3.22Å; Y138-F140 PolarHBondContact O-N 2.71Å; F140-L143 PolarHBondContact O-N 2.78Å; F140-C144 PolarHBondContact O-N 2.74Å; F140-C144 VanDerWaalsContact O-N 3.17Å; F140-C144 PolarHBondContact O-SG 3.43Å; F140-L243 HydrophobicContact CD1-CD1 3.67Å; F140-L243 HydrophobicContact CD1-CD2 3.77Å; F140-L243 HydrophobicContact CD1-CG 4.14Å; F140-L243 HydrophobicContact CE1-CD1 4.11Å; F140-L243 HydrophobicContact CE1-CD2 3.74Å; F140-L243 HydrophobicContact CE1-CG 4.15Å; F140-F263 AromaticContact CE1-CD2 3.48Å; F140-F263 HydrophobicContact CE1-CD2 3.48Å; F140-F263 VanDerWaalsContact CE1-CD2 3.48Å; F140-F263 AromaticContact CE1-CE2 3.97Å; F140-F263 HydrophobicContact CE1-CE2 3.97Å; F140-F263 HydrophobicContact CE1-CG 4.41Å; F140-F263 HydrophobicContact CZ-CB 3.97Å; F140-F263 AromaticContact CZ-CD2 3.59Å; F140-F263 HydrophobicContact CZ-CD2 3.59Å; F140-F263 HydrophobicContact CZ-CG 4.18Å; F140-V266 HydrophobicContact CB-CG1 4.2Å; F140-V266 HydrophobicContact CD2-CB 4.1Å; F140-V266 HydrophobicContact CD2-CG1 4.21Å; F140-V266 HydrophobicContact CD2-CG2 3.76Å; F140-V266 HydrophobicContact CE2-CB 4.36Å; F140-V266 HydrophobicContact CE2-CG2 4.11Å; F140-V266 HydrophobicContact CG-CB 4.39Å; F140-V266 HydrophobicContact CG-CG1 4.06Å; F140-V266 HydrophobicContact CG-CG2 4.43Å |
| 141 | L | 84.8 | Confident | 82.9 | Confident | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.9 | -51.1 | 174.2 | -178.4 | 64.3 | 0 | 0 | 0 | 110.8 | I137 Y138 L143 C144 Y145 K188 T191 L243 F246 | I137-L141 PolarHBondContact O-N 3.24Å; Y138-L141 PolarHBondContact O-N 2.93Å; Y138-L141 VanDerWaalsContact O-N 3.12Å; L141-L143 VanDerWaalsContact C-N 3.3Å; L141-L143 PolarHBondContact O-N 3.42Å; L141-C144 WeakPolarHBondContact O-CB 3.47Å; L141-C144 PolarHBondContact O-N 2.92Å; L141-Y145 HydrophobicContact CD1-CD2 4.13Å; L141-Y145 HydrophobicContact CD1-CE2 3.68Å; L141-Y145 HydrophobicContact CD2-CE2 4.12Å; L141-Y145 HydrophobicContact CG-CD2 3.96Å; L141-Y145 HydrophobicContact CG-CE2 3.68Å; L141-Y145 WeakPolarHBondContact O-CD2 3.27Å; L141-Y145 PolarHBondContact O-N 3.48Å; L141-Y145 VanDerWaalsContact O-N 3.08Å; L141-K188 HydrophobicContact CD2-CB 4.44Å; L141-T191 HydrophobicContact CB-CG2 4.29Å; L141-T191 HydrophobicContact CD2-CG2 3.91Å; L141-T191 WeakPolarHBondContact CD2-OG1 3.26Å; L141-L243 HydrophobicContact CB-CD1 3.93Å; L141-L243 HydrophobicContact CD1-CD1 4.11Å; L141-F246 HydrophobicContact CD1-CB 4.4Å; L141-F246 HydrophobicContact CD1-CD1 3.96Å; L141-F246 HydrophobicContact CD1-CD2 4.31Å; L141-F246 HydrophobicContact CD1-CE1 4.35Å; L141-F246 HydrophobicContact CD1-CG 3.95Å |
| 142 | S | 85.6 | Confident | 82.3 | Confident | 12 Ų | 12 | 20.8 Ų | 20.8 | 8% | 0.084 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.3 | -37.4 | -179.7 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | H94 Y138 C144 Y145 E146 | H94-S142 VanDerWaalsContact CD2-CB 3.5Å; H94-S142 WeakPolarHBondContact CD2-CB 3.33Å; H94-S142 VanDerWaalsContact NE2-CB 3.3Å; H94-S142 WeakPolarHBondContact NE2-CB 3.38Å; Y138-S142 WeakPolarHBondContact CE2-OG 3.48Å; Y138-S142 PolarHBondContact O-N 3Å; Y138-S142 PolarHBondContact O-OG 3.16Å; S142-C144 VanDerWaalsContact C-N 3.29Å; S142-C144 PolarHBondContact O-N 3.4Å; S142-Y145 WeakPolarHBondContact O-CB 3.16Å; S142-Y145 PolarHBondContact O-N 3.28Å; S142-E146 WeakPolarHBondContact O-CG 3.36Å; S142-E146 PolarHBondContact O-N 3.09Å |
| 143 | L | 85.3 | Confident | 81.6 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.9 | -41.1 | 171.9 | 179.6 | 60.8 | 0 | 0 | 0 | 112 | E91 H94 I95 I98 N139 F140 L141 Y145 E146 Y147 F328 | E91-L143 HydrophobicContact CB-CD1 4.11Å; E91-L143 WeakPolarHBondContact O-CD1 3.13Å; H94-L143 HydrophobicContact CB-CB 3.83Å; H94-L143 HydrophobicContact CB-CD1 4.19Å; I95-L143 HydrophobicContact CD1-CD1 4.21Å; I95-L143 HydrophobicContact CG1-CD1 3.81Å; I95-L143 HydrophobicContact CG1-CD2 3.65Å; I95-L143 HydrophobicContact CG1-CG 4.41Å; I98-L143 HydrophobicContact CD1-CD2 3.93Å; N139-L143 VanDerWaalsContact O-CB 3.23Å; N139-L143 WeakPolarHBondContact O-CB 3.48Å; N139-L143 PolarHBondContact O-N 3.49Å; F140-L143 PolarHBondContact O-N 2.78Å; L141-L143 VanDerWaalsContact C-N 3.3Å; L141-L143 PolarHBondContact O-N 3.42Å; L143-Y145 VanDerWaalsContact C-N 3.34Å; L143-E146 PolarHBondContact O-N 3.32Å; L143-Y147 HydrophobicContact CD1-CD1 4.2Å; L143-Y147 HydrophobicContact CD1-CD2 4.39Å; L143-Y147 HydrophobicContact CD1-CE1 3.75Å; L143-Y147 HydrophobicContact CD1-CE2 3.96Å; L143-Y147 HydrophobicContact CD2-CE2 3.94Å; L143-Y147 HydrophobicContact CG-CD2 4.09Å; L143-Y147 HydrophobicContact CG-CE1 4.4Å; L143-Y147 HydrophobicContact CG-CE2 3.7Å; L143-Y147 PolarHBondContact O-N 2.94Å; L143-F328 HydrophobicContact CD2-CE1 3.7Å; L143-F328 HydrophobicContact CD2-CZ 4.16Å |
| 144 | C | 81.9 | Confident | 81 | Confident | 11 Ų | 11 | 21 Ų | 21 | 7% | 0.074 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.8 | -36.4 | 178.2 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | F140 L141 S142 Y147 L148 F246 | F140-C144 PolarHBondContact O-N 2.74Å; F140-C144 VanDerWaalsContact O-N 3.17Å; F140-C144 PolarHBondContact O-SG 3.43Å; L141-C144 WeakPolarHBondContact O-CB 3.47Å; L141-C144 PolarHBondContact O-N 2.92Å; S142-C144 VanDerWaalsContact C-N 3.29Å; S142-C144 PolarHBondContact O-N 3.4Å; C144-Y147 PolarHBondContact O-N 3.39Å; C144-L148 WeakPolarHBondContact O-CD1 3.08Å; C144-L148 WeakPolarHBondContact O-CG 3.28Å; C144-L148 PolarHBondContact O-N 3.34Å; C144-F246 HydrophobicContact CB-CD1 4.38Å; C144-F246 HydrophobicContact CB-CE1 3.54Å; C144-F246 HydrophobicContact CB-CZ 4.28Å |
| 145 | Y | 82.8 | Confident | 80.2 | Confident | 13 Ų | 13 | 24.2 Ų | 24.2 | 5% | 0.051 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 171.6 | -84 | -87.5 | 0 | 0 | 0 | 112 | L141 S142 L143 L148 G149 G150 E151 I154 L184 F246 | L141-Y145 HydrophobicContact CD1-CD2 4.13Å; L141-Y145 HydrophobicContact CD1-CE2 3.68Å; L141-Y145 HydrophobicContact CD2-CE2 4.12Å; L141-Y145 HydrophobicContact CG-CD2 3.96Å; L141-Y145 HydrophobicContact CG-CE2 3.68Å; L141-Y145 WeakPolarHBondContact O-CD2 3.27Å; L141-Y145 PolarHBondContact O-N 3.48Å; L141-Y145 VanDerWaalsContact O-N 3.08Å; S142-Y145 WeakPolarHBondContact O-CB 3.16Å; S142-Y145 PolarHBondContact O-N 3.28Å; L143-Y145 VanDerWaalsContact C-N 3.34Å; Y145-L148 PolarHBondContact O-N 3.15Å; Y145-G149 PolarHBondContact O-N 2.94Å; Y145-G150 WeakPolarHBondContact O-CA 2.97Å; Y145-G150 PolarHBondContact O-N 3.45Å; Y145-E151 HydrophobicContact CD1-CG 3.9Å; Y145-E151 HydrophobicContact CE1-CG 4Å; Y145-I154 HydrophobicContact CD1-CD1 3.42Å; Y145-I154 VanDerWaalsContact CD1-CD1 3.42Å; Y145-I154 HydrophobicContact CE1-CD1 3.92Å; Y145-I154 HydrophobicContact CG-CD1 4.21Å; Y145-L184 HydrophobicContact CE1-CD2 4.16Å; Y145-L184 PolarHBondContact OH-O 3.37Å; Y145-F246 HydrophobicContact CD1-CE2 4.36Å; Y145-F246 HydrophobicContact CD1-CZ 4.49Å; Y145-F246 HydrophobicContact CD2-CE2 4.15Å; Y145-F246 HydrophobicContact CD2-CZ 4.07Å; Y145-F246 AromaticContact CE1-CE2 3.85Å; Y145-F246 HydrophobicContact CE1-CE2 3.85Å; Y145-F246 HydrophobicContact CE1-CZ 4.41Å; Y145-F246 HydrophobicContact CE2-CD2 4.16Å; Y145-F246 AromaticContact CE2-CE2 3.61Å; Y145-F246 HydrophobicContact CE2-CE2 3.61Å; Y145-F246 AromaticContact CE2-CZ 3.97Å; Y145-F246 HydrophobicContact CE2-CZ 3.97Å; Y145-F246 HydrophobicContact CG-CE2 4.49Å; Y145-F246 HydrophobicContact CG-CZ 4.31Å; Y145-F246 AromaticContact CZ-CE2 3.42Å; Y145-F246 VanDerWaalsContact CZ-CE2 3.42Å |
| 146 | E | 84.8 | Confident | 79.2 | Confident | 68 Ų | 68 | 26.8 Ų | 26.8 | 32% | 0.318 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.5 | -41.9 | 178.1 | -70.8 | -62.5 | 150.8 | 0 | 0 | 112.4 | N90 E91 S142 L143 L148 G149 | N90-E146 HydrophobicContact CB-CG 4.38Å; N90-E146 WeakPolarHBondContact CB-OE2 3.34Å; E91-E146 HydrophobicContact CG-CB 4.43Å; S142-E146 WeakPolarHBondContact O-CG 3.36Å; S142-E146 PolarHBondContact O-N 3.09Å; L143-E146 PolarHBondContact O-N 3.32Å; E146-L148 PolarHBondContact O-N 3.29Å; E146-L148 VanDerWaalsContact O-N 3.15Å; E146-G149 PolarHBondContact O-N 3.28Å |
| 147 | Y | 79.6 | Confident | 78.5 | Confident | 24 Ų | 24 | 32 Ų | 32 | 9% | 0.094 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.3 | -25.6 | 176.1 | -76.9 | -22.7 | 0 | 0 | 0 | 114.1 | E91 I95 L143 C144 G149 L254 | E91-Y147 HydrophobicContact CB-CE1 4.11Å; E91-Y147 HydrophobicContact CG-CD1 3.9Å; E91-Y147 HydrophobicContact CG-CE1 3.91Å; E91-Y147 WeakPolarHBondContact OE2-CE1 3.48Å; I95-Y147 WeakPolarHBondContact CD1-OH 3.47Å; L143-Y147 HydrophobicContact CD1-CD1 4.2Å; L143-Y147 HydrophobicContact CD1-CD2 4.39Å; L143-Y147 HydrophobicContact CD1-CE1 3.75Å; L143-Y147 HydrophobicContact CD1-CE2 3.96Å; L143-Y147 HydrophobicContact CD2-CE2 3.94Å; L143-Y147 HydrophobicContact CG-CD2 4.09Å; L143-Y147 HydrophobicContact CG-CE1 4.4Å; L143-Y147 HydrophobicContact CG-CE2 3.7Å; L143-Y147 PolarHBondContact O-N 2.94Å; C144-Y147 PolarHBondContact O-N 3.39Å; Y147-G149 VanDerWaalsContact C-N 3.33Å; Y147-L254 HydrophobicContact CD2-CD2 4.34Å |
| 148 | L | 76.6 | Confident | 77.6 | Confident | 22 Ų | 22 | 32.5 Ų | 32.5 | 12% | 0.115 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 2.9 | 177.2 | -66 | 156.3 | 0 | 0 | 0 | 112.9 | C144 Y145 E146 A153 I154 F246 T250 L253 L254 | C144-L148 WeakPolarHBondContact O-CD1 3.08Å; C144-L148 WeakPolarHBondContact O-CG 3.28Å; C144-L148 PolarHBondContact O-N 3.34Å; Y145-L148 PolarHBondContact O-N 3.15Å; E146-L148 PolarHBondContact O-N 3.29Å; E146-L148 VanDerWaalsContact O-N 3.15Å; L148-A153 WeakPolarHBondContact O-CB 3.2Å; L148-I154 HydrophobicContact CB-CD1 3.68Å; L148-I154 HydrophobicContact CB-CG1 3.28Å; L148-I154 HydrophobicContact CD1-CD1 3.66Å; L148-I154 HydrophobicContact CD1-CG1 3.8Å; L148-I154 HydrophobicContact CG-CD1 4.3Å; L148-I154 HydrophobicContact CG-CG1 4.07Å; L148-F246 HydrophobicContact CD1-CE1 4.13Å; L148-F246 HydrophobicContact CD1-CZ 3.68Å; L148-T250 HydrophobicContact CD1-CG2 3.64Å; L148-L253 HydrophobicContact CD2-CB 3.33Å; L148-L253 HydrophobicContact CD2-CD1 3.91Å; L148-L253 HydrophobicContact CD2-CG 4.26Å; L148-L254 HydrophobicContact CD2-CG 4.14Å; L148-L254 HydrophobicContact CG-CD2 4.37Å; L148-L254 HydrophobicContact CG-CG 4.37Å |
| 149 | G | 73.6 | Confident | 76.3 | Confident | 52 Ų | 52 | 40.3 Ų | 40.3 | 54% | 0.536 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 20.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y145 E146 Y147 A153 | Y145-G149 PolarHBondContact O-N 2.94Å; E146-G149 PolarHBondContact O-N 3.28Å; Y147-G149 VanDerWaalsContact C-N 3.33Å; G149-A153 WeakPolarHBondContact O-CB 3.36Å |
| 150 | G | 78.9 | Confident | 74.7 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 16% | 0.155 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | 88.3 | 177.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y145 S152 A153 I154 | Y145-G150 WeakPolarHBondContact O-CA 2.97Å; Y145-G150 PolarHBondContact O-N 3.45Å; G150-S152 VanDerWaalsContact C-N 3.28Å; G150-S152 PolarHBondContact O-N 3Å; G150-A153 PolarHBondContact O-N 3.1Å; G150-I154 WeakPolarHBondContact O-CD1 3.07Å; G150-I154 WeakPolarHBondContact O-CG1 3.11Å; G150-I154 PolarHBondContact O-N 3.06Å |
| 151 | E | 71.6 | Confident | 73.4 | Confident | 51 Ų | 51 | 47.2 Ų | 47.2 | 24% | 0.238 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -34 | -172.3 | -64.4 | -175 | -174.3 | 0 | 0 | 113.2 | Y145 M155 K188 | Y145-E151 HydrophobicContact CD1-CG 3.9Å; Y145-E151 HydrophobicContact CE1-CG 4Å; E151-M155 WeakPolarHBondContact O-CB 3.41Å; E151-M155 WeakPolarHBondContact O-CE 3.23Å; E151-M155 VanDerWaalsContact O-CG 3.28Å; E151-M155 WeakPolarHBondContact O-CG 3.26Å; E151-M155 PolarHBondContact O-N 2.79Å; E151-M155 VanDerWaalsContact O-N 3.11Å; E151-K188 IonicContact OE1-NZ 3.49Å; E151-K188 PolarHBondContact OE1-NZ 3.45Å |
| 152 | S | 69.4 | Low | 72.1 | Confident | 87 Ų | 87 | 52.2 Ų | 52.2 | 61% | 0.608 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -74.6 | -42.2 | -178.5 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | G150 M155 A156 | G150-S152 VanDerWaalsContact C-N 3.28Å; G150-S152 PolarHBondContact O-N 3Å; S152-M155 PolarHBondContact O-N 3.41Å; S152-A156 PolarHBondContact O-N 2.99Å |
| 153 | A | 71.7 | Confident | 70.8 | Confident | 40 Ų | 40 | 52.5 Ų | 52.5 | 33% | 0.331 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L148 G149 G150 M155 A156 E157 | L148-A153 WeakPolarHBondContact O-CB 3.2Å; G149-A153 WeakPolarHBondContact O-CB 3.36Å; G150-A153 PolarHBondContact O-N 3.1Å; A153-M155 VanDerWaalsContact C-N 3.3Å; A153-M155 PolarHBondContact O-N 3.35Å; A153-A156 PolarHBondContact O-N 3.02Å; A153-A156 VanDerWaalsContact O-N 3.15Å; A153-E157 WeakPolarHBondContact O-CB 3.03Å; A153-E157 PolarHBondContact O-N 3.01Å |
| 154 | I | 71.5 | Confident | 69.1 | Low | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -55.4 | -48.7 | 171.8 | -66 | 167.9 | 0 | 0 | 0 | 109.9 | Y145 L148 G150 A156 E157 I158 L184 F246 | Y145-I154 HydrophobicContact CD1-CD1 3.42Å; Y145-I154 VanDerWaalsContact CD1-CD1 3.42Å; Y145-I154 HydrophobicContact CE1-CD1 3.92Å; Y145-I154 HydrophobicContact CG-CD1 4.21Å; L148-I154 HydrophobicContact CB-CD1 3.68Å; L148-I154 HydrophobicContact CB-CG1 3.28Å; L148-I154 HydrophobicContact CD1-CD1 3.66Å; L148-I154 HydrophobicContact CD1-CG1 3.8Å; L148-I154 HydrophobicContact CG-CD1 4.3Å; L148-I154 HydrophobicContact CG-CG1 4.07Å; G150-I154 WeakPolarHBondContact O-CD1 3.07Å; G150-I154 WeakPolarHBondContact O-CG1 3.11Å; G150-I154 PolarHBondContact O-N 3.06Å; I154-A156 VanDerWaalsContact C-N 3.32Å; I154-A156 PolarHBondContact O-N 3.45Å; I154-E157 PolarHBondContact O-N 3.41Å; I154-I158 HydrophobicContact CG2-CD1 3.4Å; I154-I158 VanDerWaalsContact CG2-CD1 3.4Å; I154-I158 HydrophobicContact CG2-CG1 4.2Å; I154-I158 WeakPolarHBondContact O-CB 3.26Å; I154-I158 VanDerWaalsContact O-CG1 3.27Å; I154-I158 WeakPolarHBondContact O-CG1 3.48Å; I154-I158 PolarHBondContact O-N 2.83Å; I154-L184 HydrophobicContact CB-CD1 4.46Å; I154-L184 HydrophobicContact CG2-CD1 3.55Å; I154-L184 HydrophobicContact CG2-CD2 3.81Å; I154-L184 HydrophobicContact CG2-CG 4.34Å; I154-F246 HydrophobicContact CD1-CZ 4.48Å |
| 155 | M | 67.2 | Low | 67.4 | Low | 70 Ų | 70 | 59.4 Ų | 59.4 | 35% | 0.345 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.4 | -36 | 179 | -81.9 | -167.4 | -72.9 | 0 | 0 | 113.4 | E151 S152 A153 R159 I181 L184 | E151-M155 WeakPolarHBondContact O-CB 3.41Å; E151-M155 WeakPolarHBondContact O-CE 3.23Å; E151-M155 VanDerWaalsContact O-CG 3.28Å; E151-M155 WeakPolarHBondContact O-CG 3.26Å; E151-M155 PolarHBondContact O-N 2.79Å; E151-M155 VanDerWaalsContact O-N 3.11Å; S152-M155 PolarHBondContact O-N 3.41Å; A153-M155 VanDerWaalsContact C-N 3.3Å; A153-M155 PolarHBondContact O-N 3.35Å; M155-R159 WeakPolarHBondContact O-CB 3.4Å; M155-R159 PolarHBondContact O-N 2.92Å; M155-I181 HydrophobicContact CE-CD1 3.88Å; M155-I181 HydrophobicContact CG-CD1 4.34Å; M155-I181 HydrophobicContact SD-CB 3.76Å; M155-I181 HydrophobicContact SD-CD1 3.42Å; M155-I181 WeakPolarHBondContact SD-CD1 3.44Å; M155-I181 HydrophobicContact SD-CG1 3.92Å; M155-L184 HydrophobicContact CG-CD1 4.18Å |
| 156 | A | 67.5 | Low | 65.9 | Low | 77 Ų | 77 | 61.1 Ų | 61.1 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66 | -42.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S152 A153 I154 | S152-A156 PolarHBondContact O-N 2.99Å; A153-A156 PolarHBondContact O-N 3.02Å; A153-A156 VanDerWaalsContact O-N 3.15Å; I154-A156 VanDerWaalsContact C-N 3.32Å; I154-A156 PolarHBondContact O-N 3.45Å |
| 157 | E | 69.3 | Low | 64 | Low | 112 Ų | 112 | 62.8 Ų | 62.8 | 52% | 0.523 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -81.2 | -31.2 | -173.7 | -166.6 | 59.9 | -151.4 | 0 | 0 | 113.3 | A153 I154 L253 | A153-E157 WeakPolarHBondContact O-CB 3.03Å; A153-E157 PolarHBondContact O-N 3.01Å; I154-E157 PolarHBondContact O-N 3.41Å; E157-L253 HydrophobicContact CB-CD1 4.05Å; E157-L253 HydrophobicContact CG-CD1 3.65Å; E157-L253 HydrophobicContact CG-CD2 3.4Å; E157-L253 HydrophobicContact CG-CG 4.16Å |
| 158 | I | 66.3 | Low | 62.3 | Low | 12 Ų | 12 | 69.7 Ų | 69.7 | 6% | 0.062 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -91.4 | -15.9 | -175.1 | -68.2 | -173.6 | 0 | 0 | 0 | 112.2 | I154 G160 K161 Y179 T250 L253 | I154-I158 HydrophobicContact CG2-CD1 3.4Å; I154-I158 VanDerWaalsContact CG2-CD1 3.4Å; I154-I158 HydrophobicContact CG2-CG1 4.2Å; I154-I158 WeakPolarHBondContact O-CB 3.26Å; I154-I158 VanDerWaalsContact O-CG1 3.27Å; I154-I158 WeakPolarHBondContact O-CG1 3.48Å; I154-I158 PolarHBondContact O-N 2.83Å; I158-G160 PolarHBondContact O-N 3.22Å; I158-K161 PolarHBondContact O-N 2.81Å; I158-Y179 HydrophobicContact CG2-CD1 4.02Å; I158-Y179 HydrophobicContact CG2-CD2 3.55Å; I158-Y179 HydrophobicContact CG2-CG 3.25Å; I158-T250 HydrophobicContact CD1-CG2 3.79Å; I158-L253 HydrophobicContact CD1-CD1 4.09Å; I158-L253 HydrophobicContact CG1-CD1 3.78Å |
| 159 | R | 60.2 | Low | 61 | Low | 168 Ų | 168 | 73.7 Ų | 73.7 | 63% | 0.634 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 105.5 | -178.9 | -175.4 | 175 | -169.3 | -140.4 | -4.4 | 111.3 | M155 R395 | M155-R159 WeakPolarHBondContact O-CB 3.4Å; M155-R159 PolarHBondContact O-N 2.92Å; R159-R395 VanDerWaalsContact NH2-CZ 3.3Å |
| 160 | G | 54.3 | Low | 60 | Low | 65 Ų | 65 | 73.2 Ų | 73.2 | 67% | 0.67 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 117.8 | -11.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I158 | I158-G160 PolarHBondContact O-N 3.22Š|
| 161 | K | 59.7 | Low | 58.8 | Low | 88 Ų | 88 | 73 Ų | 73 | 38% | 0.383 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 125.4 | 170.6 | -70 | -173.3 | 175.6 | -176.5 | 0 | 109.8 | I158 Y179 E252 | I158-K161 PolarHBondContact O-N 2.81Å; K161-Y179 HydrophobicContact CB-CD2 4.36Å; K161-Y179 WeakPolarHBondContact O-CD2 3.48Å; K161-E252 IonicContact NZ-OE2 2.77Å; K161-E252 PolarHBondContact NZ-OE2 3.15Å |
| 162 | P | 56.1 | Low | 57.9 | Low | 107 Ų | 107 | 73.7 Ų | 73.7 | 70% | 0.695 | 43% | 0.429 | S | S | * | . | B | Isolated β-bridge | trans | -68 | 145.3 | 173.1 | 27.9 | -32.3 | 0 | 0 | 0 | 110.3 | E164 | P162-E164 PolarHBondContact O-N 3.38Å |
| 163 | I | 57.7 | Low | 56.9 | Low | 19 Ų | 19 | 75.6 Ų | 75.6 | 10% | 0.097 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 119.8 | 171.6 | -65.3 | 172.5 | 0 | 0 | 0 | 107.7 | S165 K177 Y179 | I163-S165 VanDerWaalsContact C-N 3.28Å; I163-S165 PolarHBondContact O-N 3.38Å; I163-K177 HydrophobicContact CD1-CB 4.29Å; I163-K177 WeakPolarHBondContact CD1-O 3.48Å; I163-K177 WeakPolarHBondContact CG1-O 3.35Å; I163-Y179 HydrophobicContact CG1-CD1 4.13Å; I163-Y179 HydrophobicContact CG1-CD2 4.29Å; I163-Y179 HydrophobicContact CG1-CE1 3.93Å; I163-Y179 HydrophobicContact CG1-CE2 4.16Å; I163-Y179 HydrophobicContact CG1-CG 4.27Å |
| 164 | E | 51.3 | Low | 55.9 | Low | 129 Ų | 129 | 75.6 Ų | 75.6 | 60% | 0.603 | 44% | 0.435 | S | S | * | . | trans | -67.3 | 93.2 | 164.4 | -74.7 | -161.4 | 151.7 | 0 | 0 | 108.5 | P162 R251 | P162-E164 PolarHBondContact O-N 3.38Å; E164-R251 IonicContact OE2-NH2 3.65Å | ||
| 165 | S | 45.4 | Very low | 54.3 | Low | 28 Ų | 28 | 84.4 Ų | 84.4 | 20% | 0.196 | 47% | 0.468 | C | S | . | . | trans | -73.8 | 128.4 | 176.9 | 47.4 | 0 | 0 | 0 | 0 | 109.8 | I163 W175 | I163-S165 VanDerWaalsContact C-N 3.28Å; I163-S165 PolarHBondContact O-N 3.38Å; S165-W175 VanDerWaalsContact CB-CE3 3.41Å; S165-W175 WeakPolarHBondContact OG-CZ3 2.81Å | ||
| 166 | S | 52.4 | Low | 53.3 | Low | 49 Ų | 49 | 84.4 Ų | 84.4 | 34% | 0.343 | 49% | 0.486 | S | S | . | . | trans | -134.6 | 117.9 | 175.9 | -84 | 0 | 0 | 0 | 0 | 109.1 | M168 Y169 T171 | S166-M168 PolarHBondContact O-N 3.44Å; S166-M168 VanDerWaalsContact O-N 3.12Å; S166-Y169 VanDerWaalsContact CB-CD2 3.48Å; S166-Y169 PolarHBondContact O-N 2.81Å; S166-T171 PolarHBondContact N-OG1 2.82Å; S166-T171 VanDerWaalsContact N-OG1 3.16Å; S166-T171 PolarHBondContact O-OG1 3Å; S166-T171 VanDerWaalsContact O-OG1 3.05Å | ||
| 167 | C | 44 | Very low | 52.7 | Low | 103 Ų | 103 | 87.7 Ų | 87.7 | 70% | 0.696 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -56.2 | -29.8 | -176.4 | -175.8 | 0 | 0 | 0 | 0 | 112.8 | Y169 G170 | C167-Y169 PolarHBondContact O-N 3.33Å; C167-G170 PolarHBondContact O-N 3.42Å |
| 168 | M | 43.1 | Very low | 52 | Low | 169 Ų | 169 | 85.2 Ų | 85.2 | 83% | 0.833 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -64.2 | -21.1 | 176.3 | -119 | -171.6 | 76.9 | 0 | 0 | 114.7 | S166 | S166-M168 PolarHBondContact O-N 3.44Å; S166-M168 VanDerWaalsContact O-N 3.12Å |
| 169 | Y | 50.9 | Low | 51.7 | Low | 106 Ų | 106 | 86.3 Ų | 86.3 | 42% | 0.416 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -107.6 | 12.7 | -174.5 | -60 | -77.6 | 0 | 0 | 0 | 113.4 | S166 C167 T171 F244 | S166-Y169 VanDerWaalsContact CB-CD2 3.48Å; S166-Y169 PolarHBondContact O-N 2.81Å; C167-Y169 PolarHBondContact O-N 3.33Å; Y169-T171 PolarHBondContact O-N 3.12Å; Y169-F244 HydrophobicContact CD1-CE1 4.14Å; Y169-F244 AromaticContact CD1-CZ 3.89Å; Y169-F244 HydrophobicContact CD1-CZ 3.89Å; Y169-F244 HydrophobicContact CE1-CZ 4.36Å |
| 170 | G | 50.9 | Low | 51.9 | Low | 41 Ų | 41 | 81.5 Ų | 81.5 | 42% | 0.423 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 7.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | C167 C172 Y241 | C167-G170 PolarHBondContact O-N 3.42Å; G170-C172 PolarHBondContact O-N 3.44Å; G170-Y241 PolarHBondContact O-OH 3.27Å |
| 171 | T | 53.9 | Low | 52.6 | Low | 11 Ų | 11 | 80.4 Ų | 80.4 | 7% | 0.067 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -82.2 | 13.2 | 177.5 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | S166 Y169 C173 L174 L245 | S166-T171 PolarHBondContact N-OG1 2.82Å; S166-T171 VanDerWaalsContact N-OG1 3.16Å; S166-T171 PolarHBondContact O-OG1 3Å; S166-T171 VanDerWaalsContact O-OG1 3.05Å; Y169-T171 PolarHBondContact O-N 3.12Å; T171-C173 PolarHBondContact O-N 3.44Å; T171-C173 VanDerWaalsContact O-N 3.17Å; T171-L174 HydrophobicContact CG2-CD1 4.15Å; T171-L174 WeakPolarHBondContact O-CA 3.44Å; T171-L174 WeakPolarHBondContact O-CB 3.43Å; T171-L174 PolarHBondContact O-N 2.92Å; T171-L245 HydrophobicContact CG2-CD2 3.55Å |
| 172 | C | 53 | Low | 53.1 | Low | 65 Ų | 65 | 78.2 Ų | 78.2 | 44% | 0.439 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -53.9 | -36.5 | 178.5 | -32 | 0 | 0 | 0 | 0 | 112 | G170 L174 | G170-C172 PolarHBondContact O-N 3.44Å; C172-L174 VanDerWaalsContact C-N 3.31Å; C172-L174 PolarHBondContact O-N 2.93Å |
| 173 | C | 48.2 | Very low | 54.1 | Low | 127 Ų | 127 | 74.3 Ų | 74.3 | 86% | 0.858 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -81 | -6.6 | 178.8 | -58.7 | 0 | 0 | 0 | 0 | 114.1 | T171 | T171-C173 PolarHBondContact O-N 3.44Å; T171-C173 VanDerWaalsContact O-N 3.17Å |
| 174 | L | 50.6 | Low | 55 | Low | 41 Ų | 41 | 73.9 Ų | 73.9 | 22% | 0.215 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -104.9 | 8.6 | 179.1 | -72.8 | 157.7 | 0 | 0 | 0 | 112.2 | T171 C172 G176 K177 L245 | T171-L174 HydrophobicContact CG2-CD1 4.15Å; T171-L174 WeakPolarHBondContact O-CA 3.44Å; T171-L174 WeakPolarHBondContact O-CB 3.43Å; T171-L174 PolarHBondContact O-N 2.92Å; C172-L174 VanDerWaalsContact C-N 3.31Å; C172-L174 PolarHBondContact O-N 2.93Å; L174-G176 PolarHBondContact O-N 3.26Å; L174-K177 PolarHBondContact O-N 2.92Å; L174-L245 HydrophobicContact CD1-CD1 4.29Å; L174-L245 HydrophobicContact CD1-CD2 4.35Å |
| 175 | W | 38.5 | Very low | 56.3 | Low | 185 Ų | 185 | 69.8 Ų | 69.8 | 70% | 0.701 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 121.7 | 178.4 | -165.1 | -79.2 | 0 | 0 | 0 | 111.4 | S165 K177 | S165-W175 VanDerWaalsContact CB-CE3 3.41Å; S165-W175 WeakPolarHBondContact OG-CZ3 2.81Å; W175-K177 PolarHBondContact O-N 3.33Å |
| 176 | G | 47 | Very low | 58.1 | Low | 70 Ų | 70 | 72.8 Ų | 72.8 | 72% | 0.722 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 6.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | L174 | L174-G176 PolarHBondContact O-N 3.26Š|
| 177 | K | 53.5 | Low | 59.5 | Low | 146 Ų | 146 | 70.4 Ų | 70.4 | 64% | 0.635 | 40% | 0.404 | S | S | * | . | trans | -84.2 | 133.1 | 168.8 | -68.6 | -152.6 | 176.9 | 171 | 0 | 110.2 | I163 L174 W175 | I163-K177 HydrophobicContact CD1-CB 4.29Å; I163-K177 WeakPolarHBondContact CD1-O 3.48Å; I163-K177 WeakPolarHBondContact CG1-O 3.35Å; L174-K177 PolarHBondContact O-N 2.92Å; W175-K177 PolarHBondContact O-N 3.33Å | ||
| 178 | A | 54.5 | Low | 61.5 | Low | 61 Ų | 61 | 66.2 Ų | 66.2 | 50% | 0.504 | 37% | 0.374 | S | S | . | . | B | Isolated β-bridge | trans | -67.8 | 148.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | S180 | A178-S180 PolarHBondContact O-N 3.43Å |
| 179 | Y | 60.8 | Low | 63.5 | Low | 35 Ų | 35 | 61.5 Ų | 61.5 | 14% | 0.137 | 35% | 0.349 | C | S | . | . | trans | -56.5 | 114.5 | 167.5 | -71.2 | -71.7 | 0 | 0 | 0 | 109.4 | I158 K161 I163 F183 A249 | I158-Y179 HydrophobicContact CG2-CD1 4.02Å; I158-Y179 HydrophobicContact CG2-CD2 3.55Å; I158-Y179 HydrophobicContact CG2-CG 3.25Å; K161-Y179 HydrophobicContact CB-CD2 4.36Å; K161-Y179 WeakPolarHBondContact O-CD2 3.48Å; I163-Y179 HydrophobicContact CG1-CD1 4.13Å; I163-Y179 HydrophobicContact CG1-CD2 4.29Å; I163-Y179 HydrophobicContact CG1-CE1 3.93Å; I163-Y179 HydrophobicContact CG1-CE2 4.16Å; I163-Y179 HydrophobicContact CG1-CG 4.27Å; Y179-F183 HydrophobicContact CD1-CD1 4.06Å; Y179-F183 HydrophobicContact CD1-CE1 4.11Å; Y179-F183 HydrophobicContact CE1-CE1 4.16Å; Y179-A249 HydrophobicContact CD1-CB 3.94Å; Y179-A249 HydrophobicContact CE1-CB 3.16Å; Y179-A249 WeakPolarHBondContact OH-CA 3.05Å | ||
| 180 | S | 64.4 | Low | 65.2 | Low | 66 Ų | 66 | 56.8 Ų | 56.8 | 46% | 0.462 | 33% | 0.332 | S | S | . | . | trans | -119.6 | 156.8 | -175.2 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | A178 G182 F183 | A178-S180 PolarHBondContact O-N 3.43Å; S180-G182 PolarHBondContact O-N 2.94Å; S180-F183 WeakPolarHBondContact O-CB 3.37Å; S180-F183 PolarHBondContact O-N 3.1Å | ||
| 181 | I | 68.5 | Low | 66.9 | Low | 43 Ų | 43 | 54.8 Ų | 54.8 | 22% | 0.221 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -48.6 | -33.6 | 171.8 | -178.8 | 62 | 0 | 0 | 0 | 111.9 | M155 F183 L184 R185 | M155-I181 HydrophobicContact CE-CD1 3.88Å; M155-I181 HydrophobicContact CG-CD1 4.34Å; M155-I181 HydrophobicContact SD-CB 3.76Å; M155-I181 HydrophobicContact SD-CD1 3.42Å; M155-I181 WeakPolarHBondContact SD-CD1 3.44Å; M155-I181 HydrophobicContact SD-CG1 3.92Å; I181-F183 VanDerWaalsContact C-N 3.33Å; I181-F183 PolarHBondContact O-N 3.24Å; I181-L184 PolarHBondContact O-N 3.34Å; I181-R185 HydrophobicContact CD1-CG 4.27Å; I181-R185 HydrophobicContact CG1-CG 4.32Å; I181-R185 WeakPolarHBondContact O-CB 3.08Å; I181-R185 VanDerWaalsContact O-CG 3.28Å; I181-R185 WeakPolarHBondContact O-CG 3.3Å; I181-R185 PolarHBondContact O-N 3.3Å |
| 182 | G | 70.1 | Confident | 68.4 | Low | 41 Ų | 41 | 54.3 Ų | 54.3 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.5 | -32.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S180 F186 | S180-G182 PolarHBondContact O-N 2.94Å; G182-F186 VanDerWaalsContact O-CB 3.32Å; G182-F186 WeakPolarHBondContact O-CB 3.06Å; G182-F186 PolarHBondContact O-N 3.16Å |
| 183 | F | 76.8 | Confident | 70.2 | Confident | 25 Ų | 25 | 54 Ų | 54 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.4 | -45.6 | 178.2 | 170.8 | -97.3 | 0 | 0 | 0 | 111.6 | Y179 S180 I181 R185 F186 C187 L245 A249 | Y179-F183 HydrophobicContact CD1-CD1 4.06Å; Y179-F183 HydrophobicContact CD1-CE1 4.11Å; Y179-F183 HydrophobicContact CE1-CE1 4.16Å; S180-F183 WeakPolarHBondContact O-CB 3.37Å; S180-F183 PolarHBondContact O-N 3.1Å; I181-F183 VanDerWaalsContact C-N 3.33Å; I181-F183 PolarHBondContact O-N 3.24Å; F183-R185 VanDerWaalsContact C-N 3.31Å; F183-R185 PolarHBondContact O-N 3.21Å; F183-F186 WeakPolarHBondContact O-CB 3.12Å; F183-F186 PolarHBondContact O-N 3.39Å; F183-C187 PolarHBondContact O-N 3.28Å; F183-C187 PolarHBondContact O-SG 2.93Å; F183-L245 HydrophobicContact CE2-CB 4.04Å; F183-L245 HydrophobicContact CE2-CD1 4.29Å; F183-L245 HydrophobicContact CZ-CB 3.81Å; F183-A249 HydrophobicContact CE1-CB 3.75Å; F183-A249 HydrophobicContact CZ-CB 4.23Å |
| 184 | L | 77.6 | Confident | 72.1 | Confident | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 174.4 | -70.5 | 163.7 | 0 | 0 | 0 | 110.4 | Y145 I154 M155 I181 F186 C187 K188 F246 | Y145-L184 HydrophobicContact CE1-CD2 4.16Å; Y145-L184 PolarHBondContact OH-O 3.37Å; I154-L184 HydrophobicContact CB-CD1 4.46Å; I154-L184 HydrophobicContact CG2-CD1 3.55Å; I154-L184 HydrophobicContact CG2-CD2 3.81Å; I154-L184 HydrophobicContact CG2-CG 4.34Å; M155-L184 HydrophobicContact CG-CD1 4.18Å; I181-L184 PolarHBondContact O-N 3.34Å; L184-F186 PolarHBondContact O-N 3.2Å; L184-C187 PolarHBondContact O-N 3.33Å; L184-K188 PolarHBondContact O-N 2.75Å; L184-F246 HydrophobicContact CD2-CD2 3.74Å; L184-F246 HydrophobicContact CD2-CE2 3.47Å; L184-F246 VanDerWaalsContact CD2-CE2 3.47Å |
| 185 | R | 77.9 | Confident | 73.8 | Confident | 42 Ų | 42 | 46.4 Ų | 46.4 | 16% | 0.158 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 175 | -74.6 | -179 | -174.2 | -178.4 | 6.3 | 112.6 | I181 F183 C187 K188 Q189 Y384 T388 | I181-R185 HydrophobicContact CD1-CG 4.27Å; I181-R185 HydrophobicContact CG1-CG 4.32Å; I181-R185 WeakPolarHBondContact O-CB 3.08Å; I181-R185 VanDerWaalsContact O-CG 3.28Å; I181-R185 WeakPolarHBondContact O-CG 3.3Å; I181-R185 PolarHBondContact O-N 3.3Å; F183-R185 VanDerWaalsContact C-N 3.31Å; F183-R185 PolarHBondContact O-N 3.21Å; R185-C187 VanDerWaalsContact C-N 3.28Å; R185-C187 PolarHBondContact O-N 3.44Å; R185-K188 PolarHBondContact O-N 2.86Å; R185-Q189 VanDerWaalsContact O-CB 3.28Å; R185-Q189 WeakPolarHBondContact O-CB 3.49Å; R185-Q189 VanDerWaalsContact O-CG 3.26Å; R185-Q189 WeakPolarHBondContact O-CG 3.41Å; R185-Q189 PolarHBondContact O-N 2.93Å; R185-Y384 VanDerWaalsContact NH2-CZ 3.28Å; R185-Y384 PolarHBondContact NH2-OH 3.02Å; R185-T388 PolarHBondContact NH1-OG1 3.36Å |
| 186 | F | 83.5 | Confident | 76.1 | Confident | 91 Ų | 91 | 41.6 Ų | 41.6 | 40% | 0.399 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.5 | -43.3 | 175.2 | 172.7 | -98.6 | 0 | 0 | 0 | 111.2 | G182 F183 L184 K188 Q189 A190 L238 | G182-F186 VanDerWaalsContact O-CB 3.32Å; G182-F186 WeakPolarHBondContact O-CB 3.06Å; G182-F186 PolarHBondContact O-N 3.16Å; F183-F186 WeakPolarHBondContact O-CB 3.12Å; F183-F186 PolarHBondContact O-N 3.39Å; L184-F186 PolarHBondContact O-N 3.2Å; F186-K188 PolarHBondContact O-N 3.01Å; F186-Q189 PolarHBondContact O-N 3.49Å; F186-A190 VanDerWaalsContact O-CB 3.27Å; F186-A190 WeakPolarHBondContact O-CB 3.22Å; F186-A190 PolarHBondContact O-N 3.38Å; F186-L238 HydrophobicContact CZ-CD1 4.35Å |
| 187 | C | 82.6 | Confident | 78 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 178.4 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | F183 L184 R185 T191 A242 F246 | F183-C187 PolarHBondContact O-N 3.28Å; F183-C187 PolarHBondContact O-SG 2.93Å; L184-C187 PolarHBondContact O-N 3.33Å; R185-C187 VanDerWaalsContact C-N 3.28Å; R185-C187 PolarHBondContact O-N 3.44Å; C187-T191 PolarHBondContact O-N 3.21Å; C187-T191 VanDerWaalsContact O-N 3.15Å; C187-T191 PolarHBondContact O-OG1 2.9Å; C187-A242 HydrophobicContact CB-CB 4.4Å; C187-F246 HydrophobicContact CB-CB 4.17Å; C187-F246 HydrophobicContact CB-CD2 4.48Å |
| 188 | K | 84.9 | Confident | 79.6 | Confident | 15 Ų | 15 | 33.1 Ų | 33.1 | 7% | 0.065 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.9 | -45.2 | 176.2 | -167 | 168.4 | 178 | 175.4 | 0 | 111.8 | L141 E151 L184 R185 F186 T191 L192 D375 N379 | L141-K188 HydrophobicContact CD2-CB 4.44Å; E151-K188 IonicContact OE1-NZ 3.49Å; E151-K188 PolarHBondContact OE1-NZ 3.45Å; L184-K188 PolarHBondContact O-N 2.75Å; R185-K188 PolarHBondContact O-N 2.86Å; F186-K188 PolarHBondContact O-N 3.01Å; K188-T191 PolarHBondContact O-N 3.01Å; K188-L192 HydrophobicContact CG-CD1 3.94Å; K188-L192 WeakPolarHBondContact O-CB 3.12Å; K188-L192 VanDerWaalsContact O-CG 3.31Å; K188-L192 WeakPolarHBondContact O-CG 3.47Å; K188-L192 PolarHBondContact O-N 3.27Å; K188-D375 VanDerWaalsContact CE-CG 3.41Å; K188-D375 WeakPolarHBondContact CE-OD2 3.45Å; K188-D375 IonicContact NZ-OD1 3.21Å; K188-D375 PolarHBondContact NZ-OD1 3.3Å; K188-D375 IonicContact NZ-OD2 2.91Å; K188-D375 PolarHBondContact NZ-OD2 2.9Å; K188-N379 VanDerWaalsContact CE-ND2 3.29Å; K188-N379 WeakPolarHBondContact CE-ND2 3.3Å |
| 189 | Q | 85.3 | Confident | 81.1 | Confident | 70 Ų | 70 | 32.4 Ų | 32.4 | 33% | 0.327 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 177.2 | -75.8 | 175.5 | -21.5 | 0 | 0 | 112.6 | R185 F186 T191 L192 Q193 N379 F380 | R185-Q189 VanDerWaalsContact O-CB 3.28Å; R185-Q189 WeakPolarHBondContact O-CB 3.49Å; R185-Q189 VanDerWaalsContact O-CG 3.26Å; R185-Q189 WeakPolarHBondContact O-CG 3.41Å; R185-Q189 PolarHBondContact O-N 2.93Å; F186-Q189 PolarHBondContact O-N 3.49Å; Q189-T191 VanDerWaalsContact C-N 3.31Å; Q189-T191 PolarHBondContact O-N 3.19Å; Q189-L192 PolarHBondContact O-N 3.33Å; Q189-Q193 VanDerWaalsContact O-CB 3.27Å; Q189-Q193 WeakPolarHBondContact O-CB 3.43Å; Q189-Q193 PolarHBondContact O-N 3.47Å; Q189-N379 HydrophobicContact CG-CB 4.18Å; Q189-N379 PolarHBondContact NE2-O 3.33Å; Q189-F380 HydrophobicContact CB-CZ 4.47Å |
| 190 | A | 86.9 | Confident | 82.3 | Confident | 6 Ų | 6 | 34.8 Ų | 34.8 | 5% | 0.05 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.8 | -38.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | F186 Q193 F194 L238 A242 | F186-A190 VanDerWaalsContact O-CB 3.27Å; F186-A190 WeakPolarHBondContact O-CB 3.22Å; F186-A190 PolarHBondContact O-N 3.38Å; A190-Q193 PolarHBondContact O-OE1 2.82Å; A190-F194 PolarHBondContact O-N 3.4Å; A190-L238 HydrophobicContact CB-CG 4.28Å; A190-A242 HydrophobicContact CB-CB 3.55Å |
| 191 | T | 86.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.6 | -42.7 | 177 | -57.1 | 0 | 0 | 0 | 0 | 112 | I137 L141 C187 K188 Q189 Q193 F194 C195 | I137-T191 HydrophobicContact CG2-CG2 3.77Å; L141-T191 HydrophobicContact CB-CG2 4.29Å; L141-T191 HydrophobicContact CD2-CG2 3.91Å; L141-T191 WeakPolarHBondContact CD2-OG1 3.26Å; C187-T191 PolarHBondContact O-N 3.21Å; C187-T191 VanDerWaalsContact O-N 3.15Å; C187-T191 PolarHBondContact O-OG1 2.9Å; K188-T191 PolarHBondContact O-N 3.01Å; Q189-T191 VanDerWaalsContact C-N 3.31Å; Q189-T191 PolarHBondContact O-N 3.19Å; T191-Q193 VanDerWaalsContact C-N 3.31Å; T191-Q193 PolarHBondContact O-N 3.41Å; T191-F194 PolarHBondContact O-N 3Å; T191-C195 PolarHBondContact O-N 3.02Å; T191-C195 PolarHBondContact O-SG 2.86Å |
| 192 | L | 85.8 | Confident | 84 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.6 | -35.3 | 175.2 | -75.2 | 167.1 | 0 | 0 | 0 | 112.1 | Y138 K188 Q189 F194 C195 V196 M372 D375 A376 N379 F380 | Y138-L192 HydrophobicContact CD2-CD2 3.71Å; Y138-L192 HydrophobicContact CD2-CG 4.49Å; Y138-L192 HydrophobicContact CE2-CD2 3.76Å; K188-L192 HydrophobicContact CG-CD1 3.94Å; K188-L192 WeakPolarHBondContact O-CB 3.12Å; K188-L192 VanDerWaalsContact O-CG 3.31Å; K188-L192 WeakPolarHBondContact O-CG 3.47Å; K188-L192 PolarHBondContact O-N 3.27Å; Q189-L192 PolarHBondContact O-N 3.33Å; L192-F194 VanDerWaalsContact C-N 3.32Å; L192-F194 PolarHBondContact O-N 3.43Å; L192-C195 WeakPolarHBondContact O-CB 3.38Å; L192-C195 PolarHBondContact O-N 3.01Å; L192-C195 VanDerWaalsContact O-N 3.14Å; L192-V196 PolarHBondContact O-N 2.87Å; L192-V196 VanDerWaalsContact O-N 3.1Å; L192-M372 HydrophobicContact CD2-CG 4.29Å; L192-D375 HydrophobicContact CD1-CB 4.48Å; L192-A376 HydrophobicContact CD2-CB 4.28Å; L192-N379 HydrophobicContact CD1-CB 3.97Å; L192-F380 HydrophobicContact CB-CE2 3.87Å; L192-F380 HydrophobicContact CB-CZ 4.46Å |
| 193 | Q | 90.5 | Very high | 84.8 | Confident | 57 Ų | 57 | 33.3 Ų | 33.3 | 27% | 0.266 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.1 | -45 | 174.1 | 174.1 | -84.5 | -18.9 | 0 | 0 | 110.8 | Q189 A190 T191 C195 V196 V197 S235 F380 | Q189-Q193 VanDerWaalsContact O-CB 3.27Å; Q189-Q193 WeakPolarHBondContact O-CB 3.43Å; Q189-Q193 PolarHBondContact O-N 3.47Å; A190-Q193 PolarHBondContact O-OE1 2.82Å; T191-Q193 VanDerWaalsContact C-N 3.31Å; T191-Q193 PolarHBondContact O-N 3.41Å; Q193-C195 VanDerWaalsContact C-N 3.31Å; Q193-C195 PolarHBondContact O-N 3.47Å; Q193-V196 PolarHBondContact O-N 3.26Å; Q193-V197 HydrophobicContact CG-CG2 4.26Å; Q193-V197 VanDerWaalsContact NE2-CG2 3.32Å; Q193-V197 WeakPolarHBondContact O-CB 3.2Å; Q193-V197 VanDerWaalsContact O-CG2 3.32Å; Q193-V197 WeakPolarHBondContact O-CG2 3.5Å; Q193-V197 PolarHBondContact O-N 2.92Å; Q193-S235 PolarHBondContact NE2-OG 3.42Å; Q193-S235 PolarHBondContact OE1-OG 3.09Å; Q193-F380 HydrophobicContact CB-CZ 4.47Å |
| 194 | F | 87.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -38.7 | 175.8 | 179.1 | -110.6 | 0 | 0 | 0 | 112.5 | A134 I137 A190 T191 L192 V196 V197 K198 Y232 V236 | A134-F194 HydrophobicContact CB-CD1 3.84Å; A134-F194 HydrophobicContact CB-CE1 3.71Å; I137-F194 HydrophobicContact CD1-CD1 3.91Å; I137-F194 HydrophobicContact CD1-CE1 3.52Å; I137-F194 HydrophobicContact CD1-CZ 4.39Å; I137-F194 HydrophobicContact CG1-CE1 4.49Å; A190-F194 PolarHBondContact O-N 3.4Å; T191-F194 PolarHBondContact O-N 3Å; L192-F194 VanDerWaalsContact C-N 3.32Å; L192-F194 PolarHBondContact O-N 3.43Å; F194-V196 VanDerWaalsContact C-N 3.27Å; F194-V196 PolarHBondContact O-N 3.09Å; F194-V197 PolarHBondContact O-N 3.41Å; F194-K198 HydrophobicContact CE1-CD 4.06Å; F194-K198 HydrophobicContact CE2-CB 4.42Å; F194-K198 HydrophobicContact CE2-CD 3.81Å; F194-K198 HydrophobicContact CZ-CD 3.38Å; F194-K198 WeakPolarHBondContact O-CB 3.17Å; F194-K198 PolarHBondContact O-N 3.22Å; F194-Y232 HydrophobicContact CE2-CD2 4.17Å; F194-Y232 AromaticContact CE2-CE2 3.86Å; F194-Y232 HydrophobicContact CE2-CE2 3.86Å; F194-Y232 HydrophobicContact CZ-CE2 4.05Å; F194-V236 HydrophobicContact CD2-CB 4.17Å; F194-V236 HydrophobicContact CE1-CG2 4.4Å; F194-V236 HydrophobicContact CE2-CB 3.54Å; F194-V236 HydrophobicContact CE2-CG2 3.76Å; F194-V236 HydrophobicContact CZ-CB 3.99Å; F194-V236 HydrophobicContact CZ-CG2 3.65Å |
| 195 | C | 86.2 | Confident | 85.5 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 6% | 0.061 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.4 | -28.1 | 177.8 | -60.6 | 0 | 0 | 0 | 0 | 114.1 | A134 Y138 T191 L192 Q193 P199 M372 | A134-C195 PolarHBondContact O-SG 3.33Å; Y138-C195 VanDerWaalsContact CB-SG 3.56Å; T191-C195 PolarHBondContact O-N 3.02Å; T191-C195 PolarHBondContact O-SG 2.86Å; L192-C195 WeakPolarHBondContact O-CB 3.38Å; L192-C195 PolarHBondContact O-N 3.01Å; L192-C195 VanDerWaalsContact O-N 3.14Å; Q193-C195 VanDerWaalsContact C-N 3.31Å; Q193-C195 PolarHBondContact O-N 3.47Å; C195-P199 WeakPolarHBondContact O-CD 3.5Å; C195-P199 WeakPolarHBondContact O-CG 3.43Å; C195-M372 HydrophobicContact CB-SD 4.08Å |
| 196 | V | 87.6 | Confident | 85.7 | Confident | 83 Ų | 83 | 35.8 Ų | 35.8 | 50% | 0.503 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -88.1 | -42.2 | 175.3 | 176.5 | 0 | 0 | 0 | 0 | 111 | L192 Q193 F194 K198 L200 | L192-V196 PolarHBondContact O-N 2.87Å; L192-V196 VanDerWaalsContact O-N 3.1Å; Q193-V196 PolarHBondContact O-N 3.26Å; F194-V196 VanDerWaalsContact C-N 3.27Å; F194-V196 PolarHBondContact O-N 3.09Å; V196-K198 PolarHBondContact O-N 3.41Å; V196-L200 WeakPolarHBondContact O-CB 3.41Å; V196-L200 PolarHBondContact O-N 2.89Å |
| 197 | V | 87.7 | Confident | 85.8 | Confident | 29 Ų | 29 | 35.3 Ų | 35.3 | 18% | 0.176 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.1 | -38.2 | -177.1 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | Q193 F194 L200 M201 I231 | Q193-V197 HydrophobicContact CG-CG2 4.26Å; Q193-V197 VanDerWaalsContact NE2-CG2 3.32Å; Q193-V197 WeakPolarHBondContact O-CB 3.2Å; Q193-V197 VanDerWaalsContact O-CG2 3.32Å; Q193-V197 WeakPolarHBondContact O-CG2 3.5Å; Q193-V197 PolarHBondContact O-N 2.92Å; F194-V197 PolarHBondContact O-N 3.41Å; V197-L200 PolarHBondContact O-N 3.37Å; V197-M201 HydrophobicContact CG1-CE 4.12Å; V197-M201 HydrophobicContact CG1-CG 3.85Å; V197-M201 WeakPolarHBondContact O-CB 3.45Å; V197-M201 VanDerWaalsContact O-CG 3.23Å; V197-M201 WeakPolarHBondContact O-CG 3.36Å; V197-M201 PolarHBondContact O-N 3.17Å; V197-I231 HydrophobicContact CG1-CG2 4.32Å |
| 198 | K | 85.3 | Confident | 85.8 | Confident | 9 Ų | 9 | 37.4 Ų | 37.4 | 4% | 0.039 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.7 | -50.6 | -174.8 | -168.5 | 149 | -177.9 | 174.8 | 0 | 113.5 | D130 E133 A134 F194 V196 L200 M201 A202 Y232 | D130-K198 HydrophobicContact CB-CG 4.38Å; D130-K198 VanDerWaalsContact O-CD 3.31Å; D130-K198 WeakPolarHBondContact O-CD 3.46Å; D130-K198 WeakPolarHBondContact O-CE 3.34Å; D130-K198 WeakPolarHBondContact O-CG 3.27Å; D130-K198 WeakPolarHBondContact OD1-CE 3.43Å; D130-K198 IonicContact OD1-NZ 3.45Å; D130-K198 PolarHBondContact OD1-NZ 2.97Å; E133-K198 IonicContact OE1-NZ 2.86Å; E133-K198 PolarHBondContact OE1-NZ 3.4Å; E133-K198 IonicContact OE2-NZ 2.75Å; E133-K198 PolarHBondContact OE2-NZ 3.44Å; A134-K198 HydrophobicContact CB-CB 4.02Å; A134-K198 HydrophobicContact CB-CD 4.28Å; A134-K198 HydrophobicContact CB-CG 4.47Å; F194-K198 HydrophobicContact CE1-CD 4.06Å; F194-K198 HydrophobicContact CE2-CB 4.42Å; F194-K198 HydrophobicContact CE2-CD 3.81Å; F194-K198 HydrophobicContact CZ-CD 3.38Å; F194-K198 WeakPolarHBondContact O-CB 3.17Å; F194-K198 PolarHBondContact O-N 3.22Å; V196-K198 PolarHBondContact O-N 3.41Å; K198-L200 VanDerWaalsContact C-N 3.28Å; K198-L200 PolarHBondContact O-N 2.97Å; K198-M201 PolarHBondContact O-N 3.2Å; K198-A202 PolarHBondContact O-N 2.86Å; K198-Y232 HydrophobicContact CD-CD2 4.32Å; K198-Y232 HydrophobicContact CD-CE2 3.82Å; K198-Y232 PolarHBondContact NZ-OH 2.89Å |
| 199 | P | 86 | Confident | 85.5 | Confident | 46 Ų | 46 | 39.8 Ų | 39.8 | 30% | 0.299 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.7 | -37.3 | 172.3 | -24.2 | 34.4 | 0 | 0 | 0 | 113.2 | C195 A202 V203 | C195-P199 WeakPolarHBondContact O-CD 3.5Å; C195-P199 WeakPolarHBondContact O-CG 3.43Å; P199-A202 PolarHBondContact O-N 3.2Å; P199-V203 WeakPolarHBondContact O-CG2 3.41Å; P199-V203 PolarHBondContact O-N 3.45Å |
| 200 | L | 87.9 | Confident | 85.4 | Confident | 85 Ų | 85 | 40.7 Ų | 40.7 | 45% | 0.445 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.5 | -42.1 | 177 | -176.3 | 148.4 | 0 | 0 | 0 | 111.4 | V196 V197 K198 A202 V203 I204 | V196-L200 WeakPolarHBondContact O-CB 3.41Å; V196-L200 PolarHBondContact O-N 2.89Å; V197-L200 PolarHBondContact O-N 3.37Å; K198-L200 VanDerWaalsContact C-N 3.28Å; K198-L200 PolarHBondContact O-N 2.97Å; L200-A202 VanDerWaalsContact C-N 3.33Å; L200-V203 PolarHBondContact O-N 3.42Å; L200-I204 HydrophobicContact CD2-CD1 3.47Å; L200-I204 VanDerWaalsContact CD2-CD1 3.47Å; L200-I204 HydrophobicContact CD2-CG1 4.33Å; L200-I204 HydrophobicContact CG-CD1 4.45Å; L200-I204 VanDerWaalsContact O-CG1 3.3Å; L200-I204 WeakPolarHBondContact O-CG1 3.48Å; L200-I204 PolarHBondContact O-N 2.78Å |
| 201 | M | 85.1 | Confident | 85.2 | Confident | 25 Ų | 25 | 47.9 Ų | 47.9 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65 | -36.2 | 174.2 | -70.1 | -62.9 | 138.8 | 0 | 0 | 112 | V197 K198 I204 T205 V228 I231 | V197-M201 HydrophobicContact CG1-CE 4.12Å; V197-M201 HydrophobicContact CG1-CG 3.85Å; V197-M201 WeakPolarHBondContact O-CB 3.45Å; V197-M201 VanDerWaalsContact O-CG 3.23Å; V197-M201 WeakPolarHBondContact O-CG 3.36Å; V197-M201 PolarHBondContact O-N 3.17Å; K198-M201 PolarHBondContact O-N 3.2Å; M201-I204 HydrophobicContact CE-CD1 4.24Å; M201-I204 PolarHBondContact O-N 3.41Å; M201-I204 HydrophobicContact SD-CD1 4.41Å; M201-T205 WeakPolarHBondContact O-CB 3.37Å; M201-T205 PolarHBondContact O-N 3.35Å; M201-T205 PolarHBondContact O-OG1 3.5Å; M201-V228 HydrophobicContact CB-CG1 4.5Å; M201-I231 HydrophobicContact CE-CB 4.4Å; M201-I231 HydrophobicContact CE-CD1 4.21Å; M201-I231 HydrophobicContact CE-CG2 3.57Å; M201-I231 HydrophobicContact SD-CB 4.27Å; M201-I231 HydrophobicContact SD-CD1 4.37Å; M201-I231 HydrophobicContact SD-CG2 3.94Å |
| 202 | A | 83.4 | Confident | 84.8 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 7% | 0.066 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T127 K198 P199 L200 I204 T205 V206 | T127-A202 HydrophobicContact CG2-CB 3.83Å; K198-A202 PolarHBondContact O-N 2.86Å; P199-A202 PolarHBondContact O-N 3.2Å; L200-A202 VanDerWaalsContact C-N 3.33Å; A202-I204 PolarHBondContact O-N 2.97Å; A202-T205 WeakPolarHBondContact O-CB 3.39Å; A202-T205 PolarHBondContact O-N 2.87Å; A202-T205 VanDerWaalsContact O-N 3.15Å; A202-V206 WeakPolarHBondContact O-CG2 3.24Å; A202-V206 PolarHBondContact O-N 3.35Å |
| 203 | V | 85.8 | Confident | 84.5 | Confident | 87 Ų | 87 | 57.2 Ų | 57.2 | 53% | 0.527 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | P199 L200 T205 V206 I207 | P199-V203 WeakPolarHBondContact O-CG2 3.41Å; P199-V203 PolarHBondContact O-N 3.45Å; L200-V203 PolarHBondContact O-N 3.42Å; V203-T205 VanDerWaalsContact C-N 3.28Å; V203-T205 PolarHBondContact O-N 2.91Å; V203-V206 PolarHBondContact O-N 2.98Å; V203-I207 HydrophobicContact CG1-CD1 3.85Å; V203-I207 VanDerWaalsContact O-CG1 3.27Å; V203-I207 WeakPolarHBondContact O-CG1 3.12Å; V203-I207 PolarHBondContact O-N 3.23Å |
| 204 | I | 86.1 | Confident | 83.5 | Confident | 60 Ų | 60 | 55.9 Ų | 55.9 | 31% | 0.308 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 174.2 | -71.3 | 174.7 | 0 | 0 | 0 | 110.1 | L200 M201 A202 I207 L208 V228 | L200-I204 HydrophobicContact CD2-CD1 3.47Å; L200-I204 VanDerWaalsContact CD2-CD1 3.47Å; L200-I204 HydrophobicContact CD2-CG1 4.33Å; L200-I204 HydrophobicContact CG-CD1 4.45Å; L200-I204 VanDerWaalsContact O-CG1 3.3Å; L200-I204 WeakPolarHBondContact O-CG1 3.48Å; L200-I204 PolarHBondContact O-N 2.78Å; M201-I204 HydrophobicContact CE-CD1 4.24Å; M201-I204 PolarHBondContact O-N 3.41Å; M201-I204 HydrophobicContact SD-CD1 4.41Å; A202-I204 PolarHBondContact O-N 2.97Å; I204-I207 PolarHBondContact O-N 2.85Å; I204-L208 HydrophobicContact CG2-CD1 3.76Å; I204-L208 HydrophobicContact CG2-CD2 4.13Å; I204-L208 WeakPolarHBondContact O-CB 3.4Å; I204-L208 VanDerWaalsContact O-CD1 3.27Å; I204-L208 WeakPolarHBondContact O-CD1 3.39Å; I204-L208 PolarHBondContact O-N 3.41Å; I204-V228 HydrophobicContact CG2-CG2 4.46Å |
| 205 | T | 82.4 | Confident | 82.5 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 9% | 0.092 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 179.2 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | M201 A202 V203 I207 L208 Q209 Y214 | M201-T205 WeakPolarHBondContact O-CB 3.37Å; M201-T205 PolarHBondContact O-N 3.35Å; M201-T205 PolarHBondContact O-OG1 3.5Å; A202-T205 WeakPolarHBondContact O-CB 3.39Å; A202-T205 PolarHBondContact O-N 2.87Å; A202-T205 VanDerWaalsContact O-N 3.15Å; V203-T205 VanDerWaalsContact C-N 3.28Å; V203-T205 PolarHBondContact O-N 2.91Å; T205-I207 VanDerWaalsContact C-N 3.3Å; T205-I207 PolarHBondContact O-N 3.25Å; T205-L208 PolarHBondContact O-N 3.47Å; T205-Q209 WeakPolarHBondContact O-CB 3.48Å; T205-Q209 PolarHBondContact O-N 3.4Å; T205-Y214 HydrophobicContact CG2-CD1 4.04Å; T205-Y214 HydrophobicContact CG2-CD2 4.02Å; T205-Y214 HydrophobicContact CG2-CE1 3.59Å; T205-Y214 HydrophobicContact CG2-CE2 3.56Å; T205-Y214 HydrophobicContact CG2-CG 4.23Å |
| 206 | V | 83.3 | Confident | 81.5 | Confident | 55 Ų | 55 | 65.4 Ų | 65.4 | 33% | 0.333 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 176.4 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | A202 V203 Q209 A210 | A202-V206 WeakPolarHBondContact O-CG2 3.24Å; A202-V206 PolarHBondContact O-N 3.35Å; V203-V206 PolarHBondContact O-N 2.98Å; V206-Q209 PolarHBondContact O-N 3Å; V206-A210 PolarHBondContact O-N 2.81Å |
| 207 | I | 85.2 | Confident | 80.3 | Confident | 81 Ų | 81 | 61.6 Ų | 61.6 | 42% | 0.415 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.1 | -47.7 | 177.4 | -68.2 | 167.9 | 0 | 0 | 0 | 110.9 | V203 I204 T205 Q209 A210 F211 | V203-I207 HydrophobicContact CG1-CD1 3.85Å; V203-I207 VanDerWaalsContact O-CG1 3.27Å; V203-I207 WeakPolarHBondContact O-CG1 3.12Å; V203-I207 PolarHBondContact O-N 3.23Å; I204-I207 PolarHBondContact O-N 2.85Å; T205-I207 VanDerWaalsContact C-N 3.3Å; T205-I207 PolarHBondContact O-N 3.25Å; I207-Q209 PolarHBondContact O-N 2.97Å; I207-A210 WeakPolarHBondContact O-CB 3.3Å; I207-A210 PolarHBondContact O-N 3.02Å; I207-F211 HydrophobicContact CG2-CD2 3.79Å; I207-F211 HydrophobicContact CG2-CE2 3.56Å; I207-F211 WeakPolarHBondContact O-CD2 3.29Å; I207-F211 PolarHBondContact O-N 3.3Å; I207-F211 VanDerWaalsContact O-N 3.14Å |
| 208 | L | 82.9 | Confident | 79.4 | Confident | 43 Ų | 43 | 62.9 Ų | 62.9 | 23% | 0.225 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -33.6 | 179.2 | -91.2 | 54.4 | 0 | 0 | 0 | 111.8 | I204 T205 F211 G212 K213 Y214 | I204-L208 HydrophobicContact CG2-CD1 3.76Å; I204-L208 HydrophobicContact CG2-CD2 4.13Å; I204-L208 WeakPolarHBondContact O-CB 3.4Å; I204-L208 VanDerWaalsContact O-CD1 3.27Å; I204-L208 WeakPolarHBondContact O-CD1 3.39Å; I204-L208 PolarHBondContact O-N 3.41Å; T205-L208 PolarHBondContact O-N 3.47Å; L208-F211 PolarHBondContact O-N 3Å; L208-G212 PolarHBondContact O-N 3.44Å; L208-K213 PolarHBondContact O-N 3.32Å; L208-Y214 PolarHBondContact O-N 3.08Å |
| 209 | Q | 79 | Confident | 78.5 | Confident | 66 Ų | 66 | 66.2 Ų | 66.2 | 31% | 0.308 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69 | -41.9 | 174.3 | -169.8 | 158.3 | 17.4 | 0 | 0 | 112 | T205 V206 I207 F211 G212 Y214 | T205-Q209 WeakPolarHBondContact O-CB 3.48Å; T205-Q209 PolarHBondContact O-N 3.4Å; V206-Q209 PolarHBondContact O-N 3Å; I207-Q209 PolarHBondContact O-N 2.97Å; Q209-F211 PolarHBondContact O-N 2.96Å; Q209-G212 PolarHBondContact O-N 3.45Å; Q209-Y214 HydrophobicContact CB-CD1 4.44Å |
| 210 | A | 81.5 | Confident | 77.9 | Confident | 88 Ų | 88 | 68.3 Ų | 68.3 | 73% | 0.727 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60 | -31.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V206 I207 G212 | V206-A210 PolarHBondContact O-N 2.81Å; I207-A210 WeakPolarHBondContact O-CB 3.3Å; I207-A210 PolarHBondContact O-N 3.02Å; A210-G212 VanDerWaalsContact C-N 3.33Å |
| 211 | F | 84.3 | Confident | 77.4 | Confident | 157 Ų | 157 | 68.8 Ų | 68.8 | 69% | 0.689 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 0.3 | 173.6 | -71.4 | -65.2 | 0 | 0 | 0 | 114.4 | I207 L208 Q209 K213 | I207-F211 HydrophobicContact CG2-CD2 3.79Å; I207-F211 HydrophobicContact CG2-CE2 3.56Å; I207-F211 WeakPolarHBondContact O-CD2 3.29Å; I207-F211 PolarHBondContact O-N 3.3Å; I207-F211 VanDerWaalsContact O-N 3.14Å; L208-F211 PolarHBondContact O-N 3Å; Q209-F211 PolarHBondContact O-N 2.96Å; F211-K213 HydrophobicContact CB-CG 4.37Å; F211-K213 PolarHBondContact O-N 3.48Å |
| 212 | G | 76.1 | Confident | 76.9 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 57% | 0.567 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 18.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L208 Q209 A210 | L208-G212 PolarHBondContact O-N 3.44Å; Q209-G212 PolarHBondContact O-N 3.45Å; A210-G212 VanDerWaalsContact C-N 3.33Å |
| 213 | K | 79.8 | Confident | 76.5 | Confident | 143 Ų | 143 | 71.5 Ų | 71.5 | 62% | 0.622 | 40% | 0.398 | S | S | * | . | trans | -98.9 | 0.4 | 179.5 | -67.3 | -67.5 | -172.5 | 175.9 | 0 | 113.1 | L208 F211 G224 | L208-K213 PolarHBondContact O-N 3.32Å; F211-K213 HydrophobicContact CB-CG 4.37Å; F211-K213 PolarHBondContact O-N 3.48Å; K213-G224 PolarHBondContact O-N 3.22Å; K213-G224 VanDerWaalsContact O-N 3.15Å | ||
| 214 | Y | 70.8 | Confident | 76.2 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 11% | 0.11 | 38% | 0.378 | C | S | . | . | trans | -115.4 | 124.3 | 173.9 | -168 | -94.9 | 0 | 0 | 0 | 109.5 | T205 L208 Q209 D216 Y225 | T205-Y214 HydrophobicContact CG2-CD1 4.04Å; T205-Y214 HydrophobicContact CG2-CD2 4.02Å; T205-Y214 HydrophobicContact CG2-CE1 3.59Å; T205-Y214 HydrophobicContact CG2-CE2 3.56Å; T205-Y214 HydrophobicContact CG2-CG 4.23Å; L208-Y214 PolarHBondContact O-N 3.08Å; Q209-Y214 HydrophobicContact CB-CD1 4.44Å; Y214-D216 WeakPolarHBondContact CE1-OD1 3.36Å; Y214-D216 PolarHBondContact OH-OD1 2.89Å; Y214-Y225 HydrophobicContact CE1-CD2 4.29Å; Y214-Y225 AromaticContact CE2-CD2 3.88Å; Y214-Y225 HydrophobicContact CE2-CD2 3.88Å; Y214-Y225 HydrophobicContact CE2-CG 4.42Å; Y214-Y225 AromaticContact CZ-CD2 3.61Å; Y214-Y225 WeakPolarHBondContact OH-CD2 3.32Å | ||
| 215 | K | 66.9 | Low | 75.8 | Confident | 142 Ų | 142 | 66.6 Ų | 66.6 | 62% | 0.617 | 37% | 0.37 | S | S | * | . | trans | -133.4 | 125.1 | 167.7 | -71.2 | -173.8 | 177.1 | -173.7 | 0 | 107.3 | D218 | K215-D218 HydrophobicContact CB-CB 4.09Å; K215-D218 PolarHBondContact O-N 2.89Å | ||
| 216 | D | 64.5 | Low | 75.7 | Confident | 69 Ų | 69 | 67.4 Ų | 67.4 | 37% | 0.369 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 137 | 174.6 | -68.5 | -67 | 0 | 0 | 0 | 110.3 | Y214 D218 | Y214-D216 WeakPolarHBondContact CE1-OD1 3.36Å; Y214-D216 PolarHBondContact OH-OD1 2.89Å; D216-D218 VanDerWaalsContact C-N 3.25Å; D216-D218 PolarHBondContact O-N 3.2Å |
| 217 | G | 62.8 | Low | 75.7 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 2% | 0.021 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | -3.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | F219 E284 K285 | G217-F219 WeakPolarHBondContact O-CD2 2.9Å; G217-F219 PolarHBondContact O-N 2.99Å; G217-E284 VanDerWaalsContact CA-OE2 3.29Å; G217-E284 WeakPolarHBondContact CA-OE2 3.26Å; G217-K285 WeakPolarHBondContact O-CE 3.28Å; G217-K285 PolarHBondContact O-NZ 3.43Å |
| 218 | D | 68.7 | Low | 75.6 | Confident | 56 Ų | 56 | 67.7 Ų | 67.7 | 30% | 0.299 | 37% | 0.366 | S | S | . | . | trans | -89.2 | 100.7 | 177.6 | -166 | 1.4 | 0 | 0 | 0 | 112.5 | K215 D216 N220 S223 | K215-D218 HydrophobicContact CB-CB 4.09Å; K215-D218 PolarHBondContact O-N 2.89Å; D216-D218 VanDerWaalsContact C-N 3.25Å; D216-D218 PolarHBondContact O-N 3.2Å; D218-N220 PolarHBondContact O-N 2.91Å; D218-N220 VanDerWaalsContact OD1-CB 3.29Å; D218-N220 WeakPolarHBondContact OD1-CB 3.03Å; D218-N220 PolarHBondContact OD1-N 3.22Å; D218-N220 VanDerWaalsContact OD1-N 3.1Å; D218-S223 WeakPolarHBondContact O-CB 3.49Å; D218-S223 PolarHBondContact O-OG 2.87Å | ||
| 219 | F | 66.6 | Low | 75.3 | Confident | 79 Ų | 79 | 67.2 Ų | 67.2 | 35% | 0.346 | 37% | 0.365 | S | S | . | . | trans | -84.6 | 17.5 | 177.1 | -70.3 | -97.9 | 0 | 0 | 0 | 113.7 | G217 Y225 L226 A281 K285 | G217-F219 WeakPolarHBondContact O-CD2 2.9Å; G217-F219 PolarHBondContact O-N 2.99Å; F219-Y225 HydrophobicContact CD2-CE1 4.34Å; F219-Y225 HydrophobicContact CE1-CE1 4.24Å; F219-Y225 HydrophobicContact CE2-CE1 4Å; F219-Y225 AromaticContact CZ-CE1 3.95Å; F219-Y225 HydrophobicContact CZ-CE1 3.95Å; F219-L226 HydrophobicContact CB-CD1 4.48Å; F219-L226 WeakPolarHBondContact O-CD1 3.29Å; F219-A281 HydrophobicContact CE2-CB 4.02Å; F219-A281 HydrophobicContact CZ-CB 3.92Å; F219-K285 HydrophobicContact CD2-CD 4.26Å; F219-K285 HydrophobicContact CD2-CG 4.04Å; F219-K285 HydrophobicContact CE2-CG 4.18Å | ||
| 220 | N | 72.9 | Confident | 75.5 | Confident | 90 Ų | 90 | 68.1 Ų | 68.1 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | trans | -64.9 | 141.8 | 173.2 | -164.2 | -18.3 | 0 | 0 | 0 | 110.8 | D218 A222 S223 | D218-N220 PolarHBondContact O-N 2.91Å; D218-N220 VanDerWaalsContact OD1-CB 3.29Å; D218-N220 WeakPolarHBondContact OD1-CB 3.03Å; D218-N220 PolarHBondContact OD1-N 3.22Å; D218-N220 VanDerWaalsContact OD1-N 3.1Å; N220-A222 PolarHBondContact O-N 3.45Å; N220-A222 VanDerWaalsContact O-N 3.16Å; N220-A222 PolarHBondContact OD1-N 3.01Å; N220-S223 WeakPolarHBondContact O-CB 3.49Å; N220-S223 PolarHBondContact O-N 3.31Å | ||
| 221 | V | 76.5 | Confident | 75.8 | Confident | 96 Ų | 96 | 67.6 Ų | 67.6 | 58% | 0.582 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.9 | 176.2 | -172.5 | 0 | 0 | 0 | 0 | 111.5 | S223 Y227 | V221-S223 VanDerWaalsContact C-N 3.34Å; V221-Y227 VanDerWaalsContact O-CE2 3.27Å; V221-Y227 WeakPolarHBondContact O-CE2 3.46Å; V221-Y227 PolarHBondContact O-OH 3.15Å |
| 222 | A | 74.4 | Confident | 75.7 | Confident | 81 Ų | 81 | 62.1 Ų | 62.1 | 67% | 0.669 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -12.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.2 | N220 | N220-A222 PolarHBondContact O-N 3.45Å; N220-A222 VanDerWaalsContact O-N 3.16Å; N220-A222 PolarHBondContact OD1-N 3.01Å |
| 223 | S | 75.8 | Confident | 76 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -91 | 139.7 | -179.1 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | D218 N220 V221 Y225 | D218-S223 WeakPolarHBondContact O-CB 3.49Å; D218-S223 PolarHBondContact O-OG 2.87Å; N220-S223 WeakPolarHBondContact O-CB 3.49Å; N220-S223 PolarHBondContact O-N 3.31Å; V221-S223 VanDerWaalsContact C-N 3.34Å; S223-Y225 PolarHBondContact O-N 3.33Å; S223-Y225 PolarHBondContact OG-N 3.28Å |
| 224 | G | 79.7 | Confident | 76.2 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.4 | -22.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K213 L226 Y227 V228 | K213-G224 PolarHBondContact O-N 3.22Å; K213-G224 VanDerWaalsContact O-N 3.15Å; G224-L226 VanDerWaalsContact C-N 3.34Å; G224-L226 PolarHBondContact O-N 3.31Å; G224-Y227 PolarHBondContact O-N 2.99Å; G224-V228 WeakPolarHBondContact O-CG2 3.26Å; G224-V228 PolarHBondContact O-N 3.24Å; G224-V228 VanDerWaalsContact O-N 3.09Å |
| 225 | Y | 77.1 | Confident | 77 | Confident | 34 Ų | 34 | 59 Ų | 59 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.6 | -43.3 | -178.6 | 179.3 | -93.3 | 0 | 0 | 0 | 112.6 | Y214 F219 S223 Y227 T229 | Y214-Y225 HydrophobicContact CE1-CD2 4.29Å; Y214-Y225 AromaticContact CE2-CD2 3.88Å; Y214-Y225 HydrophobicContact CE2-CD2 3.88Å; Y214-Y225 HydrophobicContact CE2-CG 4.42Å; Y214-Y225 AromaticContact CZ-CD2 3.61Å; Y214-Y225 WeakPolarHBondContact OH-CD2 3.32Å; F219-Y225 HydrophobicContact CD2-CE1 4.34Å; F219-Y225 HydrophobicContact CE1-CE1 4.24Å; F219-Y225 HydrophobicContact CE2-CE1 4Å; F219-Y225 AromaticContact CZ-CE1 3.95Å; F219-Y225 HydrophobicContact CZ-CE1 3.95Å; S223-Y225 PolarHBondContact O-N 3.33Å; S223-Y225 PolarHBondContact OG-N 3.28Å; Y225-Y227 PolarHBondContact O-N 3.04Å; Y225-T229 VanDerWaalsContact O-CB 3.24Å; Y225-T229 WeakPolarHBondContact O-CB 3.3Å; Y225-T229 PolarHBondContact O-N 2.75Å; Y225-T229 PolarHBondContact O-OG1 3.12Å |
| 226 | L | 80.1 | Confident | 77.7 | Confident | 33 Ų | 33 | 52.5 Ų | 52.5 | 17% | 0.173 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.3 | -45 | 179.6 | -180 | 147.5 | 0 | 0 | 0 | 112.1 | F219 G224 T229 I230 | F219-L226 HydrophobicContact CB-CD1 4.48Å; F219-L226 WeakPolarHBondContact O-CD1 3.29Å; G224-L226 VanDerWaalsContact C-N 3.34Å; G224-L226 PolarHBondContact O-N 3.31Å; L226-T229 PolarHBondContact O-N 2.89Å; L226-I230 HydrophobicContact CD2-CD1 3.49Å; L226-I230 VanDerWaalsContact CD2-CD1 3.49Å; L226-I230 HydrophobicContact CD2-CG1 4.45Å; L226-I230 HydrophobicContact CG-CD1 4.11Å; L226-I230 WeakPolarHBondContact O-CG1 3.42Å; L226-I230 PolarHBondContact O-N 2.82Å |
| 227 | Y | 84.2 | Confident | 78.6 | Confident | 126 Ų | 126 | 52.6 Ų | 52.6 | 49% | 0.494 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.8 | -45.1 | -179.2 | -66.6 | -78.2 | 0 | 0 | 0 | 112.1 | V221 G224 Y225 T229 I230 I231 | V221-Y227 VanDerWaalsContact O-CE2 3.27Å; V221-Y227 WeakPolarHBondContact O-CE2 3.46Å; V221-Y227 PolarHBondContact O-OH 3.15Å; G224-Y227 PolarHBondContact O-N 2.99Å; Y225-Y227 PolarHBondContact O-N 3.04Å; Y227-T229 VanDerWaalsContact C-N 3.28Å; Y227-T229 PolarHBondContact O-N 3Å; Y227-I230 PolarHBondContact O-N 2.7Å; Y227-I231 VanDerWaalsContact O-CG1 3.3Å; Y227-I231 WeakPolarHBondContact O-CG1 3.28Å; Y227-I231 PolarHBondContact O-N 3.25Å |
| 228 | V | 82.8 | Confident | 79.6 | Confident | 16 Ų | 16 | 55.7 Ų | 55.7 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.9 | -46.1 | 175.2 | 172.5 | 0 | 0 | 0 | 0 | 109.8 | M201 I204 G224 I230 I231 Y232 | M201-V228 HydrophobicContact CB-CG1 4.5Å; I204-V228 HydrophobicContact CG2-CG2 4.46Å; G224-V228 WeakPolarHBondContact O-CG2 3.26Å; G224-V228 PolarHBondContact O-N 3.24Å; G224-V228 VanDerWaalsContact O-N 3.09Å; V228-I230 PolarHBondContact O-N 3.18Å; V228-I231 PolarHBondContact O-N 2.97Å; V228-Y232 WeakPolarHBondContact O-CB 3.5Å; V228-Y232 PolarHBondContact O-N 3.45Å |
| 229 | T | 77.6 | Confident | 80.3 | Confident | 32 Ų | 32 | 53 Ų | 53 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 178.9 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | Y225 L226 Y227 N233 | Y225-T229 VanDerWaalsContact O-CB 3.24Å; Y225-T229 WeakPolarHBondContact O-CB 3.3Å; Y225-T229 PolarHBondContact O-N 2.75Å; Y225-T229 PolarHBondContact O-OG1 3.12Å; L226-T229 PolarHBondContact O-N 2.89Å; Y227-T229 VanDerWaalsContact C-N 3.28Å; Y227-T229 PolarHBondContact O-N 3Å; T229-N233 WeakPolarHBondContact CG2-ND2 3.2Å; T229-N233 VanDerWaalsContact O-CB 3.31Å; T229-N233 WeakPolarHBondContact O-CB 3.4Å; T229-N233 PolarHBondContact O-N 2.88Å; T229-N233 PolarHBondContact O-ND2 3.21Å |
| 230 | I | 82.6 | Confident | 80.9 | Confident | 86 Ų | 86 | 50.1 Ų | 50.1 | 44% | 0.441 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.5 | -49.1 | 178.6 | -70.8 | 172.1 | 0 | 0 | 0 | 111.3 | L226 Y227 V228 Y232 N233 I234 | L226-I230 HydrophobicContact CD2-CD1 3.49Å; L226-I230 VanDerWaalsContact CD2-CD1 3.49Å; L226-I230 HydrophobicContact CD2-CG1 4.45Å; L226-I230 HydrophobicContact CG-CD1 4.11Å; L226-I230 WeakPolarHBondContact O-CG1 3.42Å; L226-I230 PolarHBondContact O-N 2.82Å; Y227-I230 PolarHBondContact O-N 2.7Å; V228-I230 PolarHBondContact O-N 3.18Å; I230-Y232 VanDerWaalsContact C-N 3.29Å; I230-Y232 PolarHBondContact O-N 3.29Å; I230-N233 PolarHBondContact O-N 3.35Å; I230-I234 HydrophobicContact CG2-CD1 3.81Å; I230-I234 WeakPolarHBondContact O-CG1 2.97Å; I230-I234 PolarHBondContact O-N 3.16Å |
| 231 | I | 86.9 | Confident | 81.2 | Confident | 77 Ų | 77 | 49.6 Ų | 49.6 | 40% | 0.395 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | -179.1 | -65.6 | 166.3 | 0 | 0 | 0 | 110 | V197 M201 Y227 V228 I234 S235 | V197-I231 HydrophobicContact CG1-CG2 4.32Å; M201-I231 HydrophobicContact CE-CB 4.4Å; M201-I231 HydrophobicContact CE-CD1 4.21Å; M201-I231 HydrophobicContact CE-CG2 3.57Å; M201-I231 HydrophobicContact SD-CB 4.27Å; M201-I231 HydrophobicContact SD-CD1 4.37Å; M201-I231 HydrophobicContact SD-CG2 3.94Å; Y227-I231 VanDerWaalsContact O-CG1 3.3Å; Y227-I231 WeakPolarHBondContact O-CG1 3.28Å; Y227-I231 PolarHBondContact O-N 3.25Å; V228-I231 PolarHBondContact O-N 2.97Å; I231-I234 PolarHBondContact O-N 2.9Å; I231-S235 VanDerWaalsContact O-CB 3.24Å; I231-S235 WeakPolarHBondContact O-CB 3.39Å; I231-S235 PolarHBondContact O-N 3.18Å |
| 232 | Y | 82.9 | Confident | 81.5 | Confident | 41 Ų | 41 | 45 Ų | 45 | 16% | 0.161 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.7 | -51.1 | 174.6 | 169.4 | -115.6 | 0 | 0 | 0 | 111.9 | E133 F194 K198 V228 I230 I234 S235 V236 F274 | E133-Y232 PolarHBondContact OE1-OH 3.43Å; F194-Y232 HydrophobicContact CE2-CD2 4.17Å; F194-Y232 AromaticContact CE2-CE2 3.86Å; F194-Y232 HydrophobicContact CE2-CE2 3.86Å; F194-Y232 HydrophobicContact CZ-CE2 4.05Å; K198-Y232 HydrophobicContact CD-CD2 4.32Å; K198-Y232 HydrophobicContact CD-CE2 3.82Å; K198-Y232 PolarHBondContact NZ-OH 2.89Å; V228-Y232 WeakPolarHBondContact O-CB 3.5Å; V228-Y232 PolarHBondContact O-N 3.45Å; I230-Y232 VanDerWaalsContact C-N 3.29Å; I230-Y232 PolarHBondContact O-N 3.29Å; Y232-I234 PolarHBondContact O-N 3.41Å; Y232-S235 PolarHBondContact O-N 3.37Å; Y232-V236 HydrophobicContact CE2-CB 4.21Å; Y232-V236 WeakPolarHBondContact O-CG1 3.32Å; Y232-V236 PolarHBondContact O-N 3.38Å; Y232-F274 AromaticContact CE1-CD2 3.85Å; Y232-F274 HydrophobicContact CE1-CD2 3.85Å; Y232-F274 AromaticContact CE1-CE2 3.97Å; Y232-F274 HydrophobicContact CE1-CE2 3.97Å |
| 233 | N | 82.1 | Confident | 81.7 | Confident | 43 Ų | 43 | 41.6 Ų | 41.6 | 23% | 0.23 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.2 | -42.9 | -179.7 | -91.1 | -76.8 | 0 | 0 | 0 | 113.1 | T229 I230 V236 S237 F274 | T229-N233 WeakPolarHBondContact CG2-ND2 3.2Å; T229-N233 VanDerWaalsContact O-CB 3.31Å; T229-N233 WeakPolarHBondContact O-CB 3.4Å; T229-N233 PolarHBondContact O-N 2.88Å; T229-N233 PolarHBondContact O-ND2 3.21Å; I230-N233 PolarHBondContact O-N 3.35Å; N233-V236 WeakPolarHBondContact O-CG1 3.42Å; N233-S237 WeakPolarHBondContact O-CB 3.45Å; N233-S237 PolarHBondContact O-N 3.18Å; N233-S237 PolarHBondContact O-OG 3.33Å; N233-F274 WeakPolarHBondContact OD1-CE2 3.2Å; N233-F274 WeakPolarHBondContact OD1-CZ 3.33Å |
| 234 | I | 84.3 | Confident | 81.8 | Confident | 113 Ų | 113 | 43.6 Ų | 43.6 | 58% | 0.579 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -65.6 | -46.1 | 177 | -67.4 | 169.7 | 0 | 0 | 0 | 110.1 | I230 I231 Y232 S237 L238 | I230-I234 HydrophobicContact CG2-CD1 3.81Å; I230-I234 WeakPolarHBondContact O-CG1 2.97Å; I230-I234 PolarHBondContact O-N 3.16Å; I231-I234 PolarHBondContact O-N 2.9Å; Y232-I234 PolarHBondContact O-N 3.41Å; I234-S237 PolarHBondContact O-N 3.09Å; I234-L238 WeakPolarHBondContact O-CB 3.39Å; I234-L238 PolarHBondContact O-N 3.29Å |
| 235 | S | 87.7 | Confident | 81.6 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.028 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -46.8 | -178 | -164.4 | 0 | 0 | 0 | 0 | 112.1 | Q193 I231 Y232 L238 S239 | Q193-S235 PolarHBondContact NE2-OG 3.42Å; Q193-S235 PolarHBondContact OE1-OG 3.09Å; I231-S235 VanDerWaalsContact O-CB 3.24Å; I231-S235 WeakPolarHBondContact O-CB 3.39Å; I231-S235 PolarHBondContact O-N 3.18Å; Y232-S235 PolarHBondContact O-N 3.37Å; S235-L238 PolarHBondContact O-N 3.02Å; S235-S239 PolarHBondContact O-N 3.5Å; S235-S239 VanDerWaalsContact O-N 3.09Å; S235-S239 PolarHBondContact O-OG 2.91Å |
| 236 | V | 82 | Confident | 81.7 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.5 | -38.2 | 178.4 | 76.9 | 0 | 0 | 0 | 0 | 111.7 | F194 Y232 N233 L238 S239 L240 | F194-V236 HydrophobicContact CD2-CB 4.17Å; F194-V236 HydrophobicContact CE1-CG2 4.4Å; F194-V236 HydrophobicContact CE2-CB 3.54Å; F194-V236 HydrophobicContact CE2-CG2 3.76Å; F194-V236 HydrophobicContact CZ-CB 3.99Å; F194-V236 HydrophobicContact CZ-CG2 3.65Å; Y232-V236 HydrophobicContact CE2-CB 4.21Å; Y232-V236 WeakPolarHBondContact O-CG1 3.32Å; Y232-V236 PolarHBondContact O-N 3.38Å; N233-V236 WeakPolarHBondContact O-CG1 3.42Å; V236-L238 VanDerWaalsContact C-N 3.34Å; V236-L238 PolarHBondContact O-N 3.47Å; V236-S239 PolarHBondContact O-N 2.93Å; V236-S239 PolarHBondContact O-OG 3.45Å; V236-L240 HydrophobicContact CG2-CD1 3.76Å; V236-L240 HydrophobicContact CG2-CG 4.35Å; V236-L240 WeakPolarHBondContact O-CB 3.38Å; V236-L240 WeakPolarHBondContact O-CD1 3.49Å; V236-L240 VanDerWaalsContact O-CG 3.22Å; V236-L240 WeakPolarHBondContact O-CG 3.34Å; V236-L240 PolarHBondContact O-N 3.45Å |
| 237 | S | 82.1 | Confident | 81.6 | Confident | 71 Ų | 71 | 42 Ų | 42 | 50% | 0.497 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 176.6 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | N233 I234 Y241 | N233-S237 WeakPolarHBondContact O-CB 3.45Å; N233-S237 PolarHBondContact O-N 3.18Å; N233-S237 PolarHBondContact O-OG 3.33Å; I234-S237 PolarHBondContact O-N 3.09Å; S237-Y241 WeakPolarHBondContact O-CB 3.44Å; S237-Y241 PolarHBondContact O-N 3.13Å |
| 238 | L | 84.4 | Confident | 81.1 | Confident | 67 Ų | 67 | 37.8 Ų | 37.8 | 35% | 0.351 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 177.6 | -178.8 | 64.1 | 0 | 0 | 0 | 111.9 | F186 A190 I234 S235 V236 Y241 A242 | F186-L238 HydrophobicContact CZ-CD1 4.35Å; A190-L238 HydrophobicContact CB-CG 4.28Å; I234-L238 WeakPolarHBondContact O-CB 3.39Å; I234-L238 PolarHBondContact O-N 3.29Å; S235-L238 PolarHBondContact O-N 3.02Å; V236-L238 VanDerWaalsContact C-N 3.34Å; V236-L238 PolarHBondContact O-N 3.47Å; L238-Y241 PolarHBondContact O-N 3.21Å; L238-A242 WeakPolarHBondContact O-CB 3.48Å; L238-A242 PolarHBondContact O-N 3.23Å |
| 239 | S | 84 | Confident | 80.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.6 | -42.1 | -179.9 | 67.1 | 0 | 0 | 0 | 0 | 112.1 | S235 V236 Y241 A242 L243 | S235-S239 PolarHBondContact O-N 3.5Å; S235-S239 VanDerWaalsContact O-N 3.09Å; S235-S239 PolarHBondContact O-OG 2.91Å; V236-S239 PolarHBondContact O-N 2.93Å; V236-S239 PolarHBondContact O-OG 3.45Å; S239-Y241 VanDerWaalsContact C-N 3.35Å; S239-A242 WeakPolarHBondContact O-CB 3.5Å; S239-A242 PolarHBondContact O-N 3.12Å; S239-L243 WeakPolarHBondContact O-CB 3.31Å; S239-L243 PolarHBondContact O-N 3.23Å |
| 240 | L | 78.6 | Confident | 80.4 | Confident | 17 Ų | 17 | 36.2 Ų | 36.2 | 9% | 0.089 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.3 | -33.9 | 177.2 | -68.3 | 168.5 | 0 | 0 | 0 | 112.3 | I137 V236 F244 F271 | I137-L240 HydrophobicContact CD1-CD2 4.13Å; V236-L240 HydrophobicContact CG2-CD1 3.76Å; V236-L240 HydrophobicContact CG2-CG 4.35Å; V236-L240 WeakPolarHBondContact O-CB 3.38Å; V236-L240 WeakPolarHBondContact O-CD1 3.49Å; V236-L240 VanDerWaalsContact O-CG 3.22Å; V236-L240 WeakPolarHBondContact O-CG 3.34Å; V236-L240 PolarHBondContact O-N 3.45Å; L240-F244 VanDerWaalsContact O-CB 3.3Å; L240-F244 WeakPolarHBondContact O-CB 3.12Å; L240-F244 PolarHBondContact O-N 2.9Å; L240-F271 HydrophobicContact CB-CE2 4.34Å; L240-F271 HydrophobicContact CB-CZ 4.43Å; L240-F271 HydrophobicContact CD1-CD2 4.19Å; L240-F271 HydrophobicContact CD1-CE2 3.48Å; L240-F271 VanDerWaalsContact CD1-CE2 3.48Å; L240-F271 HydrophobicContact CD1-CZ 3.67Å; L240-F271 HydrophobicContact CD2-CE2 4.05Å; L240-F271 HydrophobicContact CG-CE2 4.17Å |
| 241 | Y | 79.9 | Confident | 80 | Confident | 80 Ų | 80 | 36.1 Ų | 36.1 | 31% | 0.314 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.7 | -45.2 | 172.2 | 179.8 | -116.6 | 0 | 0 | 0 | 111.4 | G170 S237 L238 S239 L243 F244 L245 | G170-Y241 PolarHBondContact O-OH 3.27Å; S237-Y241 WeakPolarHBondContact O-CB 3.44Å; S237-Y241 PolarHBondContact O-N 3.13Å; L238-Y241 PolarHBondContact O-N 3.21Å; S239-Y241 VanDerWaalsContact C-N 3.35Å; Y241-L243 PolarHBondContact O-N 3.47Å; Y241-F244 WeakPolarHBondContact O-CB 3.48Å; Y241-F244 PolarHBondContact O-N 3.33Å; Y241-L245 HydrophobicContact CD1-CD1 3.89Å; Y241-L245 HydrophobicContact CD1-CG 4.44Å; Y241-L245 HydrophobicContact CD2-CG 4.42Å; Y241-L245 HydrophobicContact CE1-CD1 3.42Å; Y241-L245 VanDerWaalsContact CE1-CD1 3.42Å; Y241-L245 HydrophobicContact CE1-CG 4.11Å; Y241-L245 HydrophobicContact CE2-CD1 4.27Å; Y241-L245 HydrophobicContact CE2-CD2 4.16Å; Y241-L245 HydrophobicContact CE2-CG 4.05Å; Y241-L245 WeakPolarHBondContact O-CB 3.42Å; Y241-L245 WeakPolarHBondContact O-CG 3.42Å; Y241-L245 PolarHBondContact O-N 2.95Å |
| 242 | A | 82.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | C187 A190 L238 S239 F244 L245 F246 | C187-A242 HydrophobicContact CB-CB 4.4Å; A190-A242 HydrophobicContact CB-CB 3.55Å; L238-A242 WeakPolarHBondContact O-CB 3.48Å; L238-A242 PolarHBondContact O-N 3.23Å; S239-A242 WeakPolarHBondContact O-CB 3.5Å; S239-A242 PolarHBondContact O-N 3.12Å; A242-F244 VanDerWaalsContact C-N 3.32Å; A242-F244 PolarHBondContact O-N 2.94Å; A242-L245 PolarHBondContact O-N 3.49Å; A242-F246 WeakPolarHBondContact O-CB 3.4Å; A242-F246 PolarHBondContact O-N 3.35Å |
| 243 | L | 79.1 | Confident | 78.8 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.3 | -42.1 | 175.3 | -165.4 | 95.4 | 0 | 0 | 0 | 111.8 | I137 F140 L141 S239 Y241 F246 Y247 F263 | I137-L243 HydrophobicContact CG2-CD1 4.39Å; F140-L243 HydrophobicContact CD1-CD1 3.67Å; F140-L243 HydrophobicContact CD1-CD2 3.77Å; F140-L243 HydrophobicContact CD1-CG 4.14Å; F140-L243 HydrophobicContact CE1-CD1 4.11Å; F140-L243 HydrophobicContact CE1-CD2 3.74Å; F140-L243 HydrophobicContact CE1-CG 4.15Å; L141-L243 HydrophobicContact CB-CD1 3.93Å; L141-L243 HydrophobicContact CD1-CD1 4.11Å; S239-L243 WeakPolarHBondContact O-CB 3.31Å; S239-L243 PolarHBondContact O-N 3.23Å; Y241-L243 PolarHBondContact O-N 3.47Å; L243-F246 PolarHBondContact O-N 3.44Å; L243-Y247 WeakPolarHBondContact O-CB 3.38Å; L243-Y247 PolarHBondContact O-N 3.26Å; L243-F263 HydrophobicContact CD2-CD2 4.23Å; L243-F263 HydrophobicContact CD2-CE2 3.41Å; L243-F263 VanDerWaalsContact CD2-CE2 3.41Å; L243-F263 HydrophobicContact CD2-CZ 3.87Å; L243-F263 HydrophobicContact CG-CE2 3.84Å; L243-F263 HydrophobicContact CG-CZ 4.48Å |
| 244 | F | 77 | Confident | 78.2 | Confident | 50 Ų | 50 | 36.1 Ų | 36.1 | 22% | 0.219 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -43.9 | 177 | 175.6 | -102.9 | 0 | 0 | 0 | 112.3 | Y169 L240 Y241 A242 Y247 F248 F263 | Y169-F244 HydrophobicContact CD1-CE1 4.14Å; Y169-F244 AromaticContact CD1-CZ 3.89Å; Y169-F244 HydrophobicContact CD1-CZ 3.89Å; Y169-F244 HydrophobicContact CE1-CZ 4.36Å; L240-F244 VanDerWaalsContact O-CB 3.3Å; L240-F244 WeakPolarHBondContact O-CB 3.12Å; L240-F244 PolarHBondContact O-N 2.9Å; Y241-F244 WeakPolarHBondContact O-CB 3.48Å; Y241-F244 PolarHBondContact O-N 3.33Å; A242-F244 VanDerWaalsContact C-N 3.32Å; A242-F244 PolarHBondContact O-N 2.94Å; F244-Y247 PolarHBondContact O-N 3.48Å; F244-F248 WeakPolarHBondContact O-CB 3.44Å; F244-F248 PolarHBondContact O-N 3.47Å; F244-F263 HydrophobicContact CB-CZ 4.41Å; F244-F263 HydrophobicContact CD2-CE1 4.47Å; F244-F263 HydrophobicContact CD2-CZ 4.44Å |
| 245 | L | 76.7 | Confident | 77.4 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 174.6 | -74.9 | 178.8 | 0 | 0 | 0 | 111.4 | T171 L174 F183 Y241 A242 Y247 F248 A249 | T171-L245 HydrophobicContact CG2-CD2 3.55Å; L174-L245 HydrophobicContact CD1-CD1 4.29Å; L174-L245 HydrophobicContact CD1-CD2 4.35Å; F183-L245 HydrophobicContact CE2-CB 4.04Å; F183-L245 HydrophobicContact CE2-CD1 4.29Å; F183-L245 HydrophobicContact CZ-CB 3.81Å; Y241-L245 HydrophobicContact CD1-CD1 3.89Å; Y241-L245 HydrophobicContact CD1-CG 4.44Å; Y241-L245 HydrophobicContact CD2-CG 4.42Å; Y241-L245 HydrophobicContact CE1-CD1 3.42Å; Y241-L245 VanDerWaalsContact CE1-CD1 3.42Å; Y241-L245 HydrophobicContact CE1-CG 4.11Å; Y241-L245 HydrophobicContact CE2-CD1 4.27Å; Y241-L245 HydrophobicContact CE2-CD2 4.16Å; Y241-L245 HydrophobicContact CE2-CG 4.05Å; Y241-L245 WeakPolarHBondContact O-CB 3.42Å; Y241-L245 WeakPolarHBondContact O-CG 3.42Å; Y241-L245 PolarHBondContact O-N 2.95Å; A242-L245 PolarHBondContact O-N 3.49Å; L245-Y247 PolarHBondContact O-N 2.97Å; L245-F248 PolarHBondContact O-N 3.34Å; L245-A249 WeakPolarHBondContact O-CB 3.27Å; L245-A249 PolarHBondContact O-N 3.38Å |
| 246 | F | 79.6 | Confident | 76.3 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.013 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 175.9 | 178.2 | -88.2 | 0 | 0 | 0 | 111.8 | L141 C144 Y145 L148 I154 L184 C187 A242 L243 A249 T250 | L141-F246 HydrophobicContact CD1-CB 4.4Å; L141-F246 HydrophobicContact CD1-CD1 3.96Å; L141-F246 HydrophobicContact CD1-CD2 4.31Å; L141-F246 HydrophobicContact CD1-CE1 4.35Å; L141-F246 HydrophobicContact CD1-CG 3.95Å; C144-F246 HydrophobicContact CB-CD1 4.38Å; C144-F246 HydrophobicContact CB-CE1 3.54Å; C144-F246 HydrophobicContact CB-CZ 4.28Å; Y145-F246 HydrophobicContact CD1-CE2 4.36Å; Y145-F246 HydrophobicContact CD1-CZ 4.49Å; Y145-F246 HydrophobicContact CD2-CE2 4.15Å; Y145-F246 HydrophobicContact CD2-CZ 4.07Å; Y145-F246 AromaticContact CE1-CE2 3.85Å; Y145-F246 HydrophobicContact CE1-CE2 3.85Å; Y145-F246 HydrophobicContact CE1-CZ 4.41Å; Y145-F246 HydrophobicContact CE2-CD2 4.16Å; Y145-F246 AromaticContact CE2-CE2 3.61Å; Y145-F246 HydrophobicContact CE2-CE2 3.61Å; Y145-F246 AromaticContact CE2-CZ 3.97Å; Y145-F246 HydrophobicContact CE2-CZ 3.97Å; Y145-F246 HydrophobicContact CG-CE2 4.49Å; Y145-F246 HydrophobicContact CG-CZ 4.31Å; Y145-F246 AromaticContact CZ-CE2 3.42Å; Y145-F246 VanDerWaalsContact CZ-CE2 3.42Å; L148-F246 HydrophobicContact CD1-CE1 4.13Å; L148-F246 HydrophobicContact CD1-CZ 3.68Å; I154-F246 HydrophobicContact CD1-CZ 4.48Å; L184-F246 HydrophobicContact CD2-CD2 3.74Å; L184-F246 HydrophobicContact CD2-CE2 3.47Å; L184-F246 VanDerWaalsContact CD2-CE2 3.47Å; C187-F246 HydrophobicContact CB-CB 4.17Å; C187-F246 HydrophobicContact CB-CD2 4.48Å; A242-F246 WeakPolarHBondContact O-CB 3.4Å; A242-F246 PolarHBondContact O-N 3.35Å; L243-F246 PolarHBondContact O-N 3.44Å; F246-A249 WeakPolarHBondContact O-CB 3.32Å; F246-A249 PolarHBondContact O-N 3.27Å; F246-T250 HydrophobicContact CE1-CG2 4.15Å; F246-T250 HydrophobicContact CE2-CG2 4.16Å; F246-T250 HydrophobicContact CZ-CG2 3.95Å; F246-T250 WeakPolarHBondContact O-CG2 3.42Å; F246-T250 PolarHBondContact O-N 2.98Å; F246-T250 VanDerWaalsContact O-N 3.09Å; F246-T250 PolarHBondContact O-OG1 3.37Å |
| 247 | Y | 76.1 | Confident | 75.3 | Confident | 33 Ų | 33 | 43.4 Ų | 43.4 | 13% | 0.129 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 177.6 | 173.4 | -94.9 | 0 | 0 | 0 | 111.8 | L243 F244 L245 A249 T250 R251 P259 V260 F263 | L243-Y247 WeakPolarHBondContact O-CB 3.38Å; L243-Y247 PolarHBondContact O-N 3.26Å; F244-Y247 PolarHBondContact O-N 3.48Å; L245-Y247 PolarHBondContact O-N 2.97Å; Y247-A249 PolarHBondContact O-N 2.97Å; Y247-T250 CarbonylContact O-C 3.59Å; Y247-T250 PolarHBondContact O-N 3.34Å; Y247-R251 HydrophobicContact CE1-CB 4.39Å; Y247-R251 WeakPolarHBondContact O-CA 3.23Å; Y247-R251 WeakPolarHBondContact O-CB 3.46Å; Y247-R251 PolarHBondContact O-N 3.48Å; Y247-P259 HydrophobicContact CE2-CB 3.9Å; Y247-P259 HydrophobicContact CE2-CG 4.1Å; Y247-V260 WeakPolarHBondContact OH-CA 3.34Å; Y247-V260 WeakPolarHBondContact OH-CG2 3.27Å; Y247-V260 PolarHBondContact OH-N 3.14Å; Y247-F263 HydrophobicContact CD2-CB 4.11Å; Y247-F263 AromaticContact CD2-CD2 3.61Å; Y247-F263 HydrophobicContact CD2-CD2 3.61Å; Y247-F263 HydrophobicContact CD2-CE2 4.17Å; Y247-F263 AromaticContact CD2-CG 3.86Å; Y247-F263 HydrophobicContact CD2-CG 3.86Å; Y247-F263 HydrophobicContact CE2-CB 4.01Å; Y247-F263 HydrophobicContact CE2-CD2 4.35Å; Y247-F263 HydrophobicContact CE2-CG 4.16Å; Y247-F263 HydrophobicContact CG-CD1 4.46Å; Y247-F263 AromaticContact CG-CD2 3.77Å; Y247-F263 HydrophobicContact CG-CD2 3.77Å; Y247-F263 AromaticContact CG-CE2 3.87Å; Y247-F263 HydrophobicContact CG-CE2 3.87Å; Y247-F263 HydrophobicContact CG-CG 4.11Å; Y247-F263 HydrophobicContact CG-CZ 4.27Å |
| 248 | F | 75.4 | Confident | 74.2 | Confident | 37 Ų | 37 | 45.5 Ų | 45.5 | 16% | 0.162 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.9 | -39.6 | 178.5 | -172.9 | -89.2 | 0 | 0 | 0 | 111.5 | F244 L245 T250 R251 | F244-F248 WeakPolarHBondContact O-CB 3.44Å; F244-F248 PolarHBondContact O-N 3.47Å; L245-F248 PolarHBondContact O-N 3.34Å; F248-T250 VanDerWaalsContact C-N 3.32Å; F248-T250 PolarHBondContact O-N 3.2Å; F248-R251 VanDerWaalsContact CZ-NH1 3.26Å; F248-R251 WeakPolarHBondContact O-CG 3.37Å |
| 249 | A | 73.3 | Confident | 72.8 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 12% | 0.116 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -35.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y179 F183 L245 F246 Y247 | Y179-A249 HydrophobicContact CD1-CB 3.94Å; Y179-A249 HydrophobicContact CE1-CB 3.16Å; Y179-A249 WeakPolarHBondContact OH-CA 3.05Å; F183-A249 HydrophobicContact CE1-CB 3.75Å; F183-A249 HydrophobicContact CZ-CB 4.23Å; L245-A249 WeakPolarHBondContact O-CB 3.27Å; L245-A249 PolarHBondContact O-N 3.38Å; F246-A249 WeakPolarHBondContact O-CB 3.32Å; F246-A249 PolarHBondContact O-N 3.27Å; Y247-A249 PolarHBondContact O-N 2.97Å |
| 250 | T | 72.4 | Confident | 71.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -110.3 | 0.2 | -169.6 | 55.5 | 0 | 0 | 0 | 0 | 112.7 | L148 I158 F246 Y247 F248 E252 L253 L254 | L148-T250 HydrophobicContact CD1-CG2 3.64Å; I158-T250 HydrophobicContact CD1-CG2 3.79Å; F246-T250 HydrophobicContact CE1-CG2 4.15Å; F246-T250 HydrophobicContact CE2-CG2 4.16Å; F246-T250 HydrophobicContact CZ-CG2 3.95Å; F246-T250 WeakPolarHBondContact O-CG2 3.42Å; F246-T250 PolarHBondContact O-N 2.98Å; F246-T250 VanDerWaalsContact O-N 3.09Å; F246-T250 PolarHBondContact O-OG1 3.37Å; Y247-T250 CarbonylContact O-C 3.59Å; Y247-T250 PolarHBondContact O-N 3.34Å; F248-T250 VanDerWaalsContact C-N 3.32Å; F248-T250 PolarHBondContact O-N 3.2Å; T250-E252 PolarHBondContact O-N 2.98Å; T250-E252 VanDerWaalsContact O-N 3.12Å; T250-L253 PolarHBondContact O-N 3.41Å; T250-L254 PolarHBondContact O-N 3.38Å; T250-L254 WeakPolarHBondContact OG1-CD1 3.27Å |
| 251 | R | 74.5 | Confident | 70.4 | Confident | 85 Ų | 85 | 52.8 Ų | 52.8 | 32% | 0.321 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -52.7 | -40 | -173.8 | 72.4 | -174.4 | -175.6 | -156 | -5.1 | 113 | E164 Y247 F248 L254 V255 | E164-R251 IonicContact OE2-NH2 3.65Å; Y247-R251 HydrophobicContact CE1-CB 4.39Å; Y247-R251 WeakPolarHBondContact O-CA 3.23Å; Y247-R251 WeakPolarHBondContact O-CB 3.46Å; Y247-R251 PolarHBondContact O-N 3.48Å; F248-R251 VanDerWaalsContact CZ-NH1 3.26Å; F248-R251 WeakPolarHBondContact O-CG 3.37Å; R251-L254 PolarHBondContact O-N 3.27Å; R251-V255 VanDerWaalsContact O-CG2 3.26Å; R251-V255 WeakPolarHBondContact O-CG2 3.46Å; R251-V255 PolarHBondContact O-N 3.24Å |
| 252 | E | 72.3 | Confident | 69.8 | Low | 113 Ų | 113 | 50.4 Ų | 50.4 | 53% | 0.528 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.6 | -39.1 | -178.6 | -65.3 | -171.2 | 166.6 | 0 | 0 | 111.8 | K161 T250 L254 V255 | K161-E252 IonicContact NZ-OE2 2.77Å; K161-E252 PolarHBondContact NZ-OE2 3.15Å; T250-E252 PolarHBondContact O-N 2.98Å; T250-E252 VanDerWaalsContact O-N 3.12Å; E252-L254 VanDerWaalsContact C-N 3.31Å; E252-V255 WeakPolarHBondContact O-CG2 3.3Å |
| 253 | L | 70.9 | Confident | 68.8 | Low | 44 Ų | 44 | 51.1 Ų | 51.1 | 23% | 0.23 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -76 | -26 | 178.8 | -55.8 | -178.7 | 0 | 0 | 0 | 111.6 | L148 E157 I158 T250 | L148-L253 HydrophobicContact CD2-CB 3.33Å; L148-L253 HydrophobicContact CD2-CD1 3.91Å; L148-L253 HydrophobicContact CD2-CG 4.26Å; E157-L253 HydrophobicContact CB-CD1 4.05Å; E157-L253 HydrophobicContact CG-CD1 3.65Å; E157-L253 HydrophobicContact CG-CD2 3.4Å; E157-L253 HydrophobicContact CG-CG 4.16Å; I158-L253 HydrophobicContact CD1-CD1 4.09Å; I158-L253 HydrophobicContact CG1-CD1 3.78Å; T250-L253 PolarHBondContact O-N 3.41Å |
| 254 | L | 70.2 | Confident | 67.9 | Low | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -88.8 | -11.7 | 179.2 | -75.8 | 159.8 | 0 | 0 | 0 | 113.8 | Y147 L148 T250 R251 E252 P256 Y257 P259 | Y147-L254 HydrophobicContact CD2-CD2 4.34Å; L148-L254 HydrophobicContact CD2-CG 4.14Å; L148-L254 HydrophobicContact CG-CD2 4.37Å; L148-L254 HydrophobicContact CG-CG 4.37Å; T250-L254 PolarHBondContact O-N 3.38Å; T250-L254 WeakPolarHBondContact OG1-CD1 3.27Å; R251-L254 PolarHBondContact O-N 3.27Å; E252-L254 VanDerWaalsContact C-N 3.31Å; L254-P256 VanDerWaalsContact C-N 3.34Å; L254-Y257 PolarHBondContact O-N 2.82Å; L254-P259 HydrophobicContact CB-CB 3.66Å; L254-P259 HydrophobicContact CB-CG 3.64Å; L254-P259 VanDerWaalsContact O-CD 3.23Å; L254-P259 WeakPolarHBondContact O-CD 3.39Å; L254-P259 WeakPolarHBondContact O-CG 3.49Å |
| 255 | V | 67.6 | Low | 67.2 | Low | 94 Ų | 94 | 55.9 Ų | 55.9 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -43.3 | -48.1 | 177.9 | 174.2 | 0 | 0 | 0 | 0 | 113.9 | R251 E252 Y257 N258 | R251-V255 VanDerWaalsContact O-CG2 3.26Å; R251-V255 WeakPolarHBondContact O-CG2 3.46Å; R251-V255 PolarHBondContact O-N 3.24Å; E252-V255 WeakPolarHBondContact O-CG2 3.3Å; V255-Y257 PolarHBondContact O-N 3.41Å; V255-N258 PolarHBondContact O-N 2.97Å |
| 256 | P | 63.6 | Low | 66.4 | Low | 99 Ų | 99 | 55.8 Ų | 55.8 | 64% | 0.643 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -60.8 | -16.1 | -179.2 | 21.7 | -33.5 | 0 | 0 | 0 | 114.1 | L254 | L254-P256 VanDerWaalsContact C-N 3.34Š|
| 257 | Y | 62.5 | Low | 65.7 | Low | 83 Ų | 83 | 58.5 Ų | 58.5 | 33% | 0.325 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -103.8 | 11 | -176.6 | -62.9 | -72.2 | 0 | 0 | 0 | 114.7 | L254 V255 K262 | L254-Y257 PolarHBondContact O-N 2.82Å; V255-Y257 PolarHBondContact O-N 3.41Å; Y257-K262 WeakPolarHBondContact O-CE 3.27Å; Y257-K262 PolarHBondContact O-NZ 2.97Å |
| 258 | N | 57.7 | Low | 64.9 | Low | 116 Ų | 116 | 58.5 Ų | 58.5 | 62% | 0.62 | 30% | 0.3 | S | S | * | . | trans | 47.9 | 62.5 | -176.6 | -73.7 | -54.3 | 0 | 0 | 0 | 112.9 | V255 | V255-N258 PolarHBondContact O-N 2.97Š| ||
| 259 | P | 55.4 | Low | 64.3 | Low | 16 Ų | 16 | 57.5 Ų | 57.5 | 10% | 0.104 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -82.6 | -24.7 | -162.4 | 38.2 | -39.5 | 0 | 0 | 0 | 111.9 | Y247 L254 L261 K262 F263 | Y247-P259 HydrophobicContact CE2-CB 3.9Å; Y247-P259 HydrophobicContact CE2-CG 4.1Å; L254-P259 HydrophobicContact CB-CB 3.66Å; L254-P259 HydrophobicContact CB-CG 3.64Å; L254-P259 VanDerWaalsContact O-CD 3.23Å; L254-P259 WeakPolarHBondContact O-CD 3.39Å; L254-P259 WeakPolarHBondContact O-CG 3.49Å; P259-L261 VanDerWaalsContact C-N 3.35Å; P259-L261 PolarHBondContact O-N 3.1Å; P259-K262 PolarHBondContact O-N 3.23Å; P259-F263 WeakPolarHBondContact O-CB 3.13Å; P259-F263 PolarHBondContact O-N 3.03Å |
| 260 | V | 58.1 | Low | 64 | Low | 94 Ų | 94 | 57.1 Ų | 57.1 | 57% | 0.57 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59 | -45.6 | 177.9 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | Y247 F264 | Y247-V260 WeakPolarHBondContact OH-CA 3.34Å; Y247-V260 WeakPolarHBondContact OH-CG2 3.27Å; Y247-V260 PolarHBondContact OH-N 3.14Å; V260-F264 WeakPolarHBondContact O-CB 3.29Å; V260-F264 PolarHBondContact O-N 2.95Å |
| 261 | L | 55.3 | Low | 63.5 | Low | 127 Ų | 127 | 60.4 Ų | 60.4 | 67% | 0.665 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.4 | -42.3 | -179.7 | -90.7 | 162.4 | 0 | 0 | 0 | 111.8 | P259 M265 | P259-L261 VanDerWaalsContact C-N 3.35Å; P259-L261 PolarHBondContact O-N 3.1Å; L261-M265 WeakPolarHBondContact O-CB 3.3Å; L261-M265 PolarHBondContact O-N 3.32Å |
| 262 | K | 67.3 | Low | 62.9 | Low | 29 Ų | 29 | 60 Ų | 60 | 13% | 0.126 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 177.6 | -68.6 | 169.6 | 175.5 | 172.1 | 0 | 111.7 | Y257 P259 M265 V266 A327 F328 | Y257-K262 WeakPolarHBondContact O-CE 3.27Å; Y257-K262 PolarHBondContact O-NZ 2.97Å; P259-K262 PolarHBondContact O-N 3.23Å; K262-M265 PolarHBondContact O-N 3.23Å; K262-V266 PolarHBondContact O-N 3.07Å; K262-V266 VanDerWaalsContact O-N 3.12Å; K262-A327 WeakPolarHBondContact CE-O 3.18Å; K262-A327 HydrophobicContact CG-CB 4.05Å; K262-F328 HydrophobicContact CB-CE1 4.38Å; K262-F328 HydrophobicContact CB-CZ 4.32Å; K262-F328 HydrophobicContact CD-CD1 4.31Å; K262-F328 HydrophobicContact CD-CE1 3.93Å; K262-F328 HydrophobicContact CG-CD1 4.46Å; K262-F328 HydrophobicContact CG-CE1 4.04Å; K262-F328 HydrophobicContact CG-CZ 4.36Å |
| 263 | F | 61.1 | Low | 62.5 | Low | 16 Ų | 16 | 55.1 Ų | 55.1 | 7% | 0.07 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.7 | -48.3 | 178.4 | -175.1 | -88.9 | 0 | 0 | 0 | 111.6 | F140 L243 F244 Y247 P259 M265 K267 | F140-F263 AromaticContact CE1-CD2 3.48Å; F140-F263 HydrophobicContact CE1-CD2 3.48Å; F140-F263 VanDerWaalsContact CE1-CD2 3.48Å; F140-F263 AromaticContact CE1-CE2 3.97Å; F140-F263 HydrophobicContact CE1-CE2 3.97Å; F140-F263 HydrophobicContact CE1-CG 4.41Å; F140-F263 HydrophobicContact CZ-CB 3.97Å; F140-F263 AromaticContact CZ-CD2 3.59Å; F140-F263 HydrophobicContact CZ-CD2 3.59Å; F140-F263 HydrophobicContact CZ-CG 4.18Å; L243-F263 HydrophobicContact CD2-CD2 4.23Å; L243-F263 HydrophobicContact CD2-CE2 3.41Å; L243-F263 VanDerWaalsContact CD2-CE2 3.41Å; L243-F263 HydrophobicContact CD2-CZ 3.87Å; L243-F263 HydrophobicContact CG-CE2 3.84Å; L243-F263 HydrophobicContact CG-CZ 4.48Å; F244-F263 HydrophobicContact CB-CZ 4.41Å; F244-F263 HydrophobicContact CD2-CE1 4.47Å; F244-F263 HydrophobicContact CD2-CZ 4.44Å; Y247-F263 HydrophobicContact CD2-CB 4.11Å; Y247-F263 AromaticContact CD2-CD2 3.61Å; Y247-F263 HydrophobicContact CD2-CD2 3.61Å; Y247-F263 HydrophobicContact CD2-CE2 4.17Å; Y247-F263 AromaticContact CD2-CG 3.86Å; Y247-F263 HydrophobicContact CD2-CG 3.86Å; Y247-F263 HydrophobicContact CE2-CB 4.01Å; Y247-F263 HydrophobicContact CE2-CD2 4.35Å; Y247-F263 HydrophobicContact CE2-CG 4.16Å; Y247-F263 HydrophobicContact CG-CD1 4.46Å; Y247-F263 AromaticContact CG-CD2 3.77Å; Y247-F263 HydrophobicContact CG-CD2 3.77Å; Y247-F263 AromaticContact CG-CE2 3.87Å; Y247-F263 HydrophobicContact CG-CE2 3.87Å; Y247-F263 HydrophobicContact CG-CG 4.11Å; Y247-F263 HydrophobicContact CG-CZ 4.27Å; P259-F263 WeakPolarHBondContact O-CB 3.13Å; P259-F263 PolarHBondContact O-N 3.03Å; F263-M265 VanDerWaalsContact C-N 3.27Å; F263-M265 PolarHBondContact O-N 3.09Å; F263-K267 HydrophobicContact CD1-CD 4.29Å; F263-K267 HydrophobicContact CE1-CD 3.62Å; F263-K267 HydrophobicContact CZ-CD 4.26Å; F263-K267 WeakPolarHBondContact O-CB 3.19Å; F263-K267 PolarHBondContact O-N 3.33Å |
| 264 | F | 60.3 | Low | 62.2 | Low | 139 Ų | 139 | 54.8 Ų | 54.8 | 61% | 0.61 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.2 | -36.1 | 177.5 | -172.2 | -96 | 0 | 0 | 0 | 111.4 | V260 S268 | V260-F264 WeakPolarHBondContact O-CB 3.29Å; V260-F264 PolarHBondContact O-N 2.95Å; F264-S268 WeakPolarHBondContact O-CA 3.41Å; F264-S268 WeakPolarHBondContact O-CB 3.26Å; F264-S268 PolarHBondContact O-N 3.33Å |
| 265 | M | 61.2 | Low | 62 | Low | 18 Ų | 18 | 61.9 Ų | 61.9 | 9% | 0.089 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.2 | -48 | -179.8 | 177.6 | -71.2 | -62.1 | 0 | 0 | 111.9 | L261 K262 F263 K267 S268 V269 A323 L324 A327 F328 | L261-M265 WeakPolarHBondContact O-CB 3.3Å; L261-M265 PolarHBondContact O-N 3.32Å; K262-M265 PolarHBondContact O-N 3.23Å; F263-M265 VanDerWaalsContact C-N 3.27Å; F263-M265 PolarHBondContact O-N 3.09Å; M265-K267 VanDerWaalsContact C-N 3.34Å; M265-K267 PolarHBondContact O-N 3.27Å; M265-S268 PolarHBondContact O-N 3.47Å; M265-V269 VanDerWaalsContact O-CG2 3.32Å; M265-V269 WeakPolarHBondContact O-CG2 3.23Å; M265-V269 PolarHBondContact O-N 3.02Å; M265-V269 HydrophobicContact SD-CG2 4.36Å; M265-A323 HydrophobicContact CG-CB 3.95Å; M265-L324 HydrophobicContact CE-CD2 3.14Å; M265-L324 HydrophobicContact CE-CG 3.73Å; M265-L324 HydrophobicContact SD-CD1 4.31Å; M265-L324 HydrophobicContact SD-CD2 3.48Å; M265-L324 WeakPolarHBondContact SD-CD2 3.5Å; M265-L324 HydrophobicContact SD-CG 3.47Å; M265-L324 WeakPolarHBondContact SD-CG 3.33Å; M265-A327 HydrophobicContact CE-CB 3.98Å; M265-F328 HydrophobicContact CE-CD2 4.11Å; M265-F328 HydrophobicContact CE-CE2 3.56Å; M265-F328 HydrophobicContact CE-CZ 4.43Å |
| 266 | V | 60.8 | Low | 61.7 | Low | 8 Ų | 8 | 58.7 Ų | 58.7 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65 | -41.5 | 176.2 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | I98 V136 F140 K262 I270 F328 | I98-V266 HydrophobicContact CG2-CG2 3.98Å; V136-V266 HydrophobicContact CG1-CG1 4.16Å; F140-V266 HydrophobicContact CB-CG1 4.2Å; F140-V266 HydrophobicContact CD2-CB 4.1Å; F140-V266 HydrophobicContact CD2-CG1 4.21Å; F140-V266 HydrophobicContact CD2-CG2 3.76Å; F140-V266 HydrophobicContact CE2-CB 4.36Å; F140-V266 HydrophobicContact CE2-CG2 4.11Å; F140-V266 HydrophobicContact CG-CB 4.39Å; F140-V266 HydrophobicContact CG-CG1 4.06Å; F140-V266 HydrophobicContact CG-CG2 4.43Å; K262-V266 PolarHBondContact O-N 3.07Å; K262-V266 VanDerWaalsContact O-N 3.12Å; V266-I270 HydrophobicContact CG1-CD1 4.06Å; V266-I270 WeakPolarHBondContact O-CG1 3.35Å; V266-I270 PolarHBondContact O-N 3.21Å; V266-F328 HydrophobicContact CG2-CE2 4.44Å |
| 267 | K | 64.3 | Low | 61.7 | Low | 59 Ų | 59 | 55 Ų | 55 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 176.1 | -171.9 | 173.2 | -179.7 | 176 | 0 | 111.2 | F263 M265 V269 I270 F271 | F263-K267 HydrophobicContact CD1-CD 4.29Å; F263-K267 HydrophobicContact CE1-CD 3.62Å; F263-K267 HydrophobicContact CZ-CD 4.26Å; F263-K267 WeakPolarHBondContact O-CB 3.19Å; F263-K267 PolarHBondContact O-N 3.33Å; M265-K267 VanDerWaalsContact C-N 3.34Å; M265-K267 PolarHBondContact O-N 3.27Å; K267-V269 PolarHBondContact O-N 3.37Å; K267-I270 PolarHBondContact O-N 3.3Å; K267-F271 HydrophobicContact CB-CD2 4.45Å; K267-F271 HydrophobicContact CD-CD2 4.28Å; K267-F271 HydrophobicContact CD-CE2 3.97Å; K267-F271 HydrophobicContact CG-CD2 3.33Å; K267-F271 HydrophobicContact CG-CE2 3.43Å; K267-F271 VanDerWaalsContact CG-CE2 3.43Å; K267-F271 HydrophobicContact CG-CG 4.42Å; K267-F271 VanDerWaalsContact O-CB 3.26Å; K267-F271 WeakPolarHBondContact O-CB 3.41Å; K267-F271 VanDerWaalsContact O-CD2 3.24Å; K267-F271 WeakPolarHBondContact O-CD2 3.44Å; K267-F271 PolarHBondContact O-N 2.82Å |
| 268 | S | 58.8 | Low | 61.8 | Low | 33 Ų | 33 | 53.8 Ų | 53.8 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | -177.2 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | F264 M265 L272 | F264-S268 WeakPolarHBondContact O-CA 3.41Å; F264-S268 WeakPolarHBondContact O-CB 3.26Å; F264-S268 PolarHBondContact O-N 3.33Å; M265-S268 PolarHBondContact O-N 3.47Å; S268-L272 WeakPolarHBondContact O-CB 3.47Å; S268-L272 WeakPolarHBondContact O-CD1 3.26Å; S268-L272 WeakPolarHBondContact O-CG 2.83Å; S268-L272 PolarHBondContact O-N 3.35Å; S268-L272 WeakPolarHBondContact OG-CD1 3.41Å |
| 269 | V | 63 | Low | 62.2 | Low | 17 Ų | 17 | 53.1 Ų | 53.1 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 177.3 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | I101 M265 K267 S273 M317 A320 | I101-V269 HydrophobicContact CD1-CG1 4.05Å; M265-V269 VanDerWaalsContact O-CG2 3.32Å; M265-V269 WeakPolarHBondContact O-CG2 3.23Å; M265-V269 PolarHBondContact O-N 3.02Å; M265-V269 HydrophobicContact SD-CG2 4.36Å; K267-V269 PolarHBondContact O-N 3.37Å; V269-S273 PolarHBondContact O-N 3.09Å; V269-S273 PolarHBondContact O-OG 2.91Å; V269-M317 HydrophobicContact CG1-CE 4.11Å; V269-A320 HydrophobicContact CG2-CB 3.88Å |
| 270 | I | 66.6 | Low | 62.6 | Low | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.1 | -41.2 | -178.9 | -61.1 | 170.4 | 0 | 0 | 0 | 111 | I101 E133 V136 I137 V266 K267 F274 | I101-I270 HydrophobicContact CD1-CG1 4.48Å; E133-I270 HydrophobicContact CG-CG1 4.28Å; E133-I270 HydrophobicContact CG-CG2 3.86Å; V136-I270 HydrophobicContact CG1-CD1 4.32Å; I137-I270 HydrophobicContact CD1-CD1 4.19Å; I137-I270 HydrophobicContact CG1-CD1 3.6Å; V266-I270 HydrophobicContact CG1-CD1 4.06Å; V266-I270 WeakPolarHBondContact O-CG1 3.35Å; V266-I270 PolarHBondContact O-N 3.21Å; K267-I270 PolarHBondContact O-N 3.3Å; I270-F274 WeakPolarHBondContact O-CB 3.5Å; I270-F274 PolarHBondContact O-N 2.67Å; I270-F274 VanDerWaalsContact O-N 3.08Å |
| 271 | F | 61.7 | Low | 62.8 | Low | 68 Ų | 68 | 49.4 Ų | 49.4 | 30% | 0.298 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68 | -39.4 | 179.2 | -93.7 | -92.1 | 0 | 0 | 0 | 113.1 | L240 K267 F274 W275 | L240-F271 HydrophobicContact CB-CE2 4.34Å; L240-F271 HydrophobicContact CB-CZ 4.43Å; L240-F271 HydrophobicContact CD1-CD2 4.19Å; L240-F271 HydrophobicContact CD1-CE2 3.48Å; L240-F271 VanDerWaalsContact CD1-CE2 3.48Å; L240-F271 HydrophobicContact CD1-CZ 3.67Å; L240-F271 HydrophobicContact CD2-CE2 4.05Å; L240-F271 HydrophobicContact CG-CE2 4.17Å; K267-F271 HydrophobicContact CB-CD2 4.45Å; K267-F271 HydrophobicContact CD-CD2 4.28Å; K267-F271 HydrophobicContact CD-CE2 3.97Å; K267-F271 HydrophobicContact CG-CD2 3.33Å; K267-F271 HydrophobicContact CG-CE2 3.43Å; K267-F271 VanDerWaalsContact CG-CE2 3.43Å; K267-F271 HydrophobicContact CG-CG 4.42Å; K267-F271 VanDerWaalsContact O-CB 3.26Å; K267-F271 WeakPolarHBondContact O-CB 3.41Å; K267-F271 VanDerWaalsContact O-CD2 3.24Å; K267-F271 WeakPolarHBondContact O-CD2 3.44Å; K267-F271 PolarHBondContact O-N 2.82Å; F271-F274 PolarHBondContact O-N 3.48Å; F271-W275 WeakPolarHBondContact O-CB 3.42Å; F271-W275 PolarHBondContact O-N 3.34Å |
| 272 | L | 63.1 | Low | 63.4 | Low | 78 Ų | 78 | 47.4 Ų | 47.4 | 41% | 0.408 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.6 | -45.3 | 177.6 | -72.1 | 171.4 | 0 | 0 | 0 | 110.5 | S268 F274 W275 Q276 | S268-L272 WeakPolarHBondContact O-CB 3.47Å; S268-L272 WeakPolarHBondContact O-CD1 3.26Å; S268-L272 WeakPolarHBondContact O-CG 2.83Å; S268-L272 PolarHBondContact O-N 3.35Å; S268-L272 WeakPolarHBondContact OG-CD1 3.41Å; L272-F274 VanDerWaalsContact C-N 3.28Å; L272-F274 PolarHBondContact O-N 2.87Å; L272-W275 PolarHBondContact O-N 3.31Å; L272-Q276 WeakPolarHBondContact O-CB 3.18Å; L272-Q276 WeakPolarHBondContact O-CG 3.23Å; L272-Q276 PolarHBondContact O-N 3.18Å |
| 273 | S | 63.8 | Low | 63.1 | Low | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.5 | -42.3 | 175.4 | -51.1 | 0 | 0 | 0 | 0 | 112.4 | V269 G277 | V269-S273 PolarHBondContact O-N 3.09Å; V269-S273 PolarHBondContact O-OG 2.91Å; S273-G277 PolarHBondContact O-N 3.18Å |
| 274 | F | 64.1 | Low | 63.1 | Low | 38 Ų | 38 | 49.6 Ų | 49.6 | 17% | 0.167 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.5 | -49.6 | 178 | 168.4 | -95 | 0 | 0 | 0 | 112.6 | Y232 N233 I270 F271 L272 Q276 G277 M278 | Y232-F274 AromaticContact CE1-CD2 3.85Å; Y232-F274 HydrophobicContact CE1-CD2 3.85Å; Y232-F274 AromaticContact CE1-CE2 3.97Å; Y232-F274 HydrophobicContact CE1-CE2 3.97Å; N233-F274 WeakPolarHBondContact OD1-CE2 3.2Å; N233-F274 WeakPolarHBondContact OD1-CZ 3.33Å; I270-F274 WeakPolarHBondContact O-CB 3.5Å; I270-F274 PolarHBondContact O-N 2.67Å; I270-F274 VanDerWaalsContact O-N 3.08Å; F271-F274 PolarHBondContact O-N 3.48Å; L272-F274 VanDerWaalsContact C-N 3.28Å; L272-F274 PolarHBondContact O-N 2.87Å; F274-Q276 VanDerWaalsContact C-N 3.27Å; F274-Q276 PolarHBondContact O-N 3.34Å; F274-G277 PolarHBondContact O-N 2.99Å; F274-M278 HydrophobicContact CE1-CE 3.94Å; F274-M278 HydrophobicContact CE1-SD 4.3Å; F274-M278 HydrophobicContact CZ-CE 4.37Å; F274-M278 HydrophobicContact CZ-SD 4.14Å; F274-M278 PolarHBondContact O-N 3.48Å |
| 275 | W | 66.6 | Low | 63.2 | Low | 152 Ų | 152 | 48.4 Ų | 48.4 | 58% | 0.576 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -65.8 | -31.4 | -179.6 | -90.8 | 93.1 | 0 | 0 | 0 | 112.3 | F271 L272 M278 L279 | F271-W275 WeakPolarHBondContact O-CB 3.42Å; F271-W275 PolarHBondContact O-N 3.34Å; L272-W275 PolarHBondContact O-N 3.31Å; W275-M278 HydrophobicContact CD2-CE 3.54Å; W275-M278 HydrophobicContact CE3-CE 3.23Å; W275-M278 HydrophobicContact CG-CE 4.38Å; W275-M278 HydrophobicContact CH2-CE 3.54Å; W275-M278 HydrophobicContact CZ2-CE 3.81Å; W275-M278 HydrophobicContact CZ3-CE 3.24Å; W275-L279 WeakPolarHBondContact O-CB 3.2Å; W275-L279 PolarHBondContact O-N 2.93Å |
| 276 | Q | 59.6 | Low | 63.1 | Low | 28 Ų | 28 | 52.1 Ų | 52.1 | 13% | 0.131 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62 | -51.2 | 170.6 | -73.9 | 156.5 | 10 | 0 | 0 | 111.5 | L272 F274 M278 L279 L280 Q309 E316 | L272-Q276 WeakPolarHBondContact O-CB 3.18Å; L272-Q276 WeakPolarHBondContact O-CG 3.23Å; L272-Q276 PolarHBondContact O-N 3.18Å; F274-Q276 VanDerWaalsContact C-N 3.27Å; F274-Q276 PolarHBondContact O-N 3.34Å; Q276-M278 VanDerWaalsContact C-N 3.28Å; Q276-M278 PolarHBondContact O-N 3.15Å; Q276-L279 PolarHBondContact O-N 3.08Å; Q276-L280 WeakPolarHBondContact O-CB 3.33Å; Q276-L280 PolarHBondContact O-N 3.49Å; Q276-Q309 HydrophobicContact CB-CG 4.36Å; Q276-E316 PolarHBondContact NE2-OE1 3.38Å; Q276-E316 PolarHBondContact NE2-OE2 2.99Å |
| 277 | G | 63.7 | Low | 62.9 | Low | 21 Ų | 21 | 54.6 Ų | 54.6 | 22% | 0.216 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S273 F274 A281 | S273-G277 PolarHBondContact O-N 3.18Å; F274-G277 PolarHBondContact O-N 2.99Å; G277-A281 WeakPolarHBondContact O-CB 3.44Å; G277-A281 PolarHBondContact O-N 2.89Å |
| 278 | M | 64.7 | Low | 62.2 | Low | 58 Ų | 58 | 54.9 Ų | 54.9 | 29% | 0.286 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.1 | -45.4 | 176.8 | -175.6 | 171.5 | 59.7 | 0 | 0 | 112.9 | F274 W275 Q276 L280 A281 I282 | F274-M278 HydrophobicContact CE1-CE 3.94Å; F274-M278 HydrophobicContact CE1-SD 4.3Å; F274-M278 HydrophobicContact CZ-CE 4.37Å; F274-M278 HydrophobicContact CZ-SD 4.14Å; F274-M278 PolarHBondContact O-N 3.48Å; W275-M278 HydrophobicContact CD2-CE 3.54Å; W275-M278 HydrophobicContact CE3-CE 3.23Å; W275-M278 HydrophobicContact CG-CE 4.38Å; W275-M278 HydrophobicContact CH2-CE 3.54Å; W275-M278 HydrophobicContact CZ2-CE 3.81Å; W275-M278 HydrophobicContact CZ3-CE 3.24Å; Q276-M278 VanDerWaalsContact C-N 3.28Å; Q276-M278 PolarHBondContact O-N 3.15Å; M278-L280 PolarHBondContact O-N 2.87Å; M278-A281 PolarHBondContact O-N 3.17Å; M278-I282 HydrophobicContact CG-CD1 3.97Å; M278-I282 WeakPolarHBondContact O-CD1 3.12Å; M278-I282 VanDerWaalsContact O-CG1 3.24Å; M278-I282 WeakPolarHBondContact O-CG1 3.27Å; M278-I282 PolarHBondContact O-N 3.38Å |
| 279 | L | 65.8 | Low | 61.8 | Low | 101 Ų | 101 | 54.4 Ų | 54.4 | 53% | 0.529 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.5 | -40 | 176.9 | 179.9 | 65.7 | 0 | 0 | 0 | 110.6 | W275 Q276 I282 L283 | W275-L279 WeakPolarHBondContact O-CB 3.2Å; W275-L279 PolarHBondContact O-N 2.93Å; Q276-L279 PolarHBondContact O-N 3.08Å; L279-I282 PolarHBondContact O-N 3.36Å; L279-L283 HydrophobicContact CD1-CD1 4.36Å; L279-L283 HydrophobicContact CD2-CD1 4.46Å; L279-L283 HydrophobicContact CG-CD1 3.85Å; L279-L283 WeakPolarHBondContact O-CB 3.42Å; L279-L283 WeakPolarHBondContact O-CD1 3.42Å; L279-L283 WeakPolarHBondContact O-CG 3.5Å; L279-L283 PolarHBondContact O-N 2.92Å |
| 280 | L | 65.5 | Low | 61.1 | Low | 27 Ų | 27 | 57.6 Ų | 57.6 | 14% | 0.141 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 177.9 | -169.5 | 85.5 | 0 | 0 | 0 | 112 | Q276 M278 I282 L283 E284 A305 Q309 | Q276-L280 WeakPolarHBondContact O-CB 3.33Å; Q276-L280 PolarHBondContact O-N 3.49Å; M278-L280 PolarHBondContact O-N 2.87Å; L280-I282 PolarHBondContact O-N 3Å; L280-L283 WeakPolarHBondContact O-CB 3.4Å; L280-L283 PolarHBondContact O-N 3.18Å; L280-L283 VanDerWaalsContact O-N 3.16Å; L280-E284 PolarHBondContact O-N 3Å; L280-A305 HydrophobicContact CD1-CB 3.68Å; L280-A305 WeakPolarHBondContact CD1-O 3.28Å; L280-A305 HydrophobicContact CD2-CB 3.55Å; L280-A305 VanDerWaalsContact CD2-O 3.24Å; L280-A305 WeakPolarHBondContact CD2-O 3.25Å; L280-A305 HydrophobicContact CG-CB 3.48Å; L280-A305 VanDerWaalsContact CG-CB 3.48Å; L280-Q309 HydrophobicContact CD2-CB 4.09Å |
| 281 | A | 62.6 | Low | 60 | Low | 6 Ų | 6 | 63.6 Ų | 63.6 | 5% | 0.05 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.5 | -32.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F219 G277 M278 K285 | F219-A281 HydrophobicContact CE2-CB 4.02Å; F219-A281 HydrophobicContact CZ-CB 3.92Å; G277-A281 WeakPolarHBondContact O-CB 3.44Å; G277-A281 PolarHBondContact O-N 2.89Å; M278-A281 PolarHBondContact O-N 3.17Å; A281-K285 WeakPolarHBondContact O-CG 3.39Å; A281-K285 PolarHBondContact O-N 3.12Å |
| 282 | I | 66.3 | Low | 59.2 | Low | 84 Ų | 84 | 63.5 Ų | 63.5 | 43% | 0.431 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -71.4 | -43.7 | 172.9 | -67 | 164.3 | 0 | 0 | 0 | 110.9 | M278 L279 L280 E284 K285 C286 | M278-I282 HydrophobicContact CG-CD1 3.97Å; M278-I282 WeakPolarHBondContact O-CD1 3.12Å; M278-I282 VanDerWaalsContact O-CG1 3.24Å; M278-I282 WeakPolarHBondContact O-CG1 3.27Å; M278-I282 PolarHBondContact O-N 3.38Å; L279-I282 PolarHBondContact O-N 3.36Å; L280-I282 PolarHBondContact O-N 3Å; I282-E284 VanDerWaalsContact C-N 3.28Å; I282-E284 PolarHBondContact O-N 3.47Å; I282-K285 CarbonylContact O-C 3.57Å; I282-K285 PolarHBondContact O-N 3.29Å; I282-C286 PolarHBondContact O-N 3.36Å; I282-C286 PolarHBondContact O-SG 3.27Å; I282-C286 VanDerWaalsContact O-SG 3.38Å |
| 283 | L | 61.5 | Low | 58 | Low | 67 Ų | 67 | 65.5 Ų | 65.5 | 35% | 0.351 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.9 | -37.1 | 177.2 | -82.9 | 155.6 | 0 | 0 | 0 | 112.2 | L279 L280 C286 G287 A288 I289 | L279-L283 HydrophobicContact CD1-CD1 4.36Å; L279-L283 HydrophobicContact CD2-CD1 4.46Å; L279-L283 HydrophobicContact CG-CD1 3.85Å; L279-L283 WeakPolarHBondContact O-CB 3.42Å; L279-L283 WeakPolarHBondContact O-CD1 3.42Å; L279-L283 WeakPolarHBondContact O-CG 3.5Å; L279-L283 PolarHBondContact O-N 2.92Å; L280-L283 WeakPolarHBondContact O-CB 3.4Å; L280-L283 PolarHBondContact O-N 3.18Å; L280-L283 VanDerWaalsContact O-N 3.16Å; L283-C286 PolarHBondContact O-N 2.74Å; L283-G287 PolarHBondContact O-N 2.9Å; L283-A288 HydrophobicContact CD2-CB 3.89Å; L283-A288 PolarHBondContact O-N 3.47Å; L283-I289 HydrophobicContact CB-CD1 4.35Å |
| 284 | E | 61.7 | Low | 56.7 | Low | 24 Ų | 24 | 68.5 Ų | 68.5 | 11% | 0.112 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59 | -48.3 | 170.1 | -172.9 | -176.8 | 175.1 | 0 | 0 | 110.6 | G217 L280 I282 C286 G287 E301 | G217-E284 VanDerWaalsContact CA-OE2 3.29Å; G217-E284 WeakPolarHBondContact CA-OE2 3.26Å; L280-E284 PolarHBondContact O-N 3Å; I282-E284 VanDerWaalsContact C-N 3.28Å; I282-E284 PolarHBondContact O-N 3.47Å; E284-C286 PolarHBondContact O-N 3.06Å; E284-G287 PolarHBondContact O-N 3.2Å; E284-G287 VanDerWaalsContact O-N 3.15Å; E284-E301 HydrophobicContact CG-CB 4.16Å |
| 285 | K | 61.9 | Low | 55.4 | Low | 114 Ų | 114 | 73.6 Ų | 73.6 | 50% | 0.496 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -68.6 | -29.5 | 178.3 | -71.7 | -65 | 172.4 | -147 | 0 | 114.9 | G217 F219 A281 I282 G287 | G217-K285 WeakPolarHBondContact O-CE 3.28Å; G217-K285 PolarHBondContact O-NZ 3.43Å; F219-K285 HydrophobicContact CD2-CD 4.26Å; F219-K285 HydrophobicContact CD2-CG 4.04Å; F219-K285 HydrophobicContact CE2-CG 4.18Å; A281-K285 WeakPolarHBondContact O-CG 3.39Å; A281-K285 PolarHBondContact O-N 3.12Å; I282-K285 CarbonylContact O-C 3.57Å; I282-K285 PolarHBondContact O-N 3.29Å; K285-G287 PolarHBondContact O-N 2.98Å |
| 286 | C | 60.1 | Low | 54.2 | Low | 97 Ų | 97 | 72.9 Ų | 72.9 | 66% | 0.655 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -2.3 | 175.4 | -70.3 | 0 | 0 | 0 | 0 | 113 | I282 L283 E284 A288 | I282-C286 PolarHBondContact O-N 3.36Å; I282-C286 PolarHBondContact O-SG 3.27Å; I282-C286 VanDerWaalsContact O-SG 3.38Å; L283-C286 PolarHBondContact O-N 2.74Å; E284-C286 PolarHBondContact O-N 3.06Å; C286-A288 PolarHBondContact O-N 3.26Å |
| 287 | G | 55.9 | Low | 53.5 | Low | 60 Ų | 60 | 78.4 Ų | 78.4 | 62% | 0.619 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 18.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L283 E284 K285 I289 | L283-G287 PolarHBondContact O-N 2.9Å; E284-G287 PolarHBondContact O-N 3.2Å; E284-G287 VanDerWaalsContact O-N 3.15Å; K285-G287 PolarHBondContact O-N 2.98Å; G287-I289 PolarHBondContact O-N 3.47Å |
| 288 | A | 49.3 | Very low | 52.5 | Low | 64 Ų | 64 | 81.5 Ų | 81.5 | 53% | 0.529 | 47% | 0.467 | S | S | . | . | trans | -76.6 | -11.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L283 C286 | L283-A288 HydrophobicContact CD2-CB 3.89Å; L283-A288 PolarHBondContact O-N 3.47Å; C286-A288 PolarHBondContact O-N 3.26Å | ||
| 289 | I | 51.2 | Low | 51.9 | Low | 24 Ų | 24 | 81.5 Ų | 81.5 | 12% | 0.123 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -105.9 | 109.8 | 178.3 | -52.8 | -179.6 | 0 | 0 | 0 | 107.9 | L283 G287 V304 A305 | L283-I289 HydrophobicContact CB-CD1 4.35Å; G287-I289 PolarHBondContact O-N 3.47Å; I289-V304 HydrophobicContact CG2-CB 4.2Å; I289-V304 HydrophobicContact CG2-CG1 3.8Å; I289-A305 HydrophobicContact CD1-CB 3.41Å; I289-A305 VanDerWaalsContact CD1-CB 3.41Å |
| 290 | P | 46.7 | Very low | 51.3 | Low | 84 Ų | 84 | 78.2 Ų | 78.2 | 55% | 0.545 | 46% | 0.462 | S | S | . | . | trans | -69 | 136.3 | -175.8 | 23.6 | -30.1 | 0 | 0 | 0 | 112 | I292 | P290-I292 PolarHBondContact O-N 3.01Š| ||
| 291 | Q | 44.4 | Very low | 50.9 | Low | 131 Ų | 131 | 80 Ų | 80 | 61% | 0.612 | 47% | 0.469 | S | S | * | . | trans | -62.7 | 121.7 | 166.9 | -67.6 | -175.3 | 0.9 | 0 | 0 | 109.6 | E301 | Q291-E301 VanDerWaalsContact CD-OE1 3.25Å; Q291-E301 HydrophobicContact CG-CG 3.88Å; Q291-E301 WeakPolarHBondContact CG-OE1 3.37Å; Q291-E301 PolarHBondContact NE2-OE1 2.77Å | ||
| 292 | I | 44.9 | Very low | 50.7 | Low | 67 Ų | 67 | 80.5 Ų | 80.5 | 34% | 0.344 | 48% | 0.475 | S | S | . | . | trans | -110.6 | 85.7 | 174.9 | -61.8 | 165.5 | 0 | 0 | 0 | 108 | F53 P290 S294 | F53-I292 HydrophobicContact CD2-CD1 4.09Å; F53-I292 HydrophobicContact CE1-CD1 4.14Å; F53-I292 HydrophobicContact CE2-CB 4.01Å; F53-I292 HydrophobicContact CE2-CD1 3.21Å; F53-I292 HydrophobicContact CE2-CG1 4.16Å; F53-I292 HydrophobicContact CE2-CG2 4.04Å; F53-I292 HydrophobicContact CZ-CB 4.3Å; F53-I292 HydrophobicContact CZ-CD1 3.25Å; F53-I292 HydrophobicContact CZ-CG1 4.26Å; P290-I292 PolarHBondContact O-N 3.01Å; I292-S294 PolarHBondContact O-N 3.24Å | ||
| 293 | N | 37.2 | Very low | 50.7 | Low | 119 Ų | 119 | 78.1 Ų | 78.1 | 64% | 0.636 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 94.2 | 165.7 | -74.1 | -36.8 | 0 | 0 | 0 | 108.3 | ||
| 294 | S | 36.6 | Very low | 51.1 | Low | 73 Ų | 73 | 75.6 Ų | 75.6 | 51% | 0.51 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 140.8 | 166 | -67.6 | 0 | 0 | 0 | 0 | 109.3 | I292 N296 F297 | I292-S294 PolarHBondContact O-N 3.24Å; S294-N296 PolarHBondContact O-N 3.03Å; S294-F297 PolarHBondContact O-N 3.49Å |
| 295 | T | 38.3 | Very low | 51.4 | Low | 144 Ų | 144 | 74.5 Ų | 74.5 | 88% | 0.883 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 6.5 | -168.8 | 44.6 | 0 | 0 | 0 | 0 | 117.4 | ||
| 296 | N | 40.5 | Very low | 51.8 | Low | 137 Ų | 137 | 69.3 Ų | 69.3 | 73% | 0.733 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.5 | -9.9 | 173.5 | -70 | -69.9 | 0 | 0 | 0 | 114.7 | S294 | S294-N296 PolarHBondContact O-N 3.03Š|
| 297 | F | 45.7 | Very low | 52.5 | Low | 145 Ų | 145 | 64.8 Ų | 64.8 | 64% | 0.636 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 122.8 | -178.5 | -66.5 | -79.9 | 0 | 0 | 0 | 110.6 | S294 | S294-F297 PolarHBondContact O-N 3.49Å |
| 298 | S | 41.5 | Very low | 53.6 | Low | 85 Ų | 85 | 66.2 Ų | 66.2 | 59% | 0.594 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 90.9 | 173.6 | 170.5 | 0 | 0 | 0 | 0 | 108.1 | ||
| 299 | V | 52.1 | Low | 55.1 | Low | 58 Ų | 58 | 64.5 Ų | 64.5 | 35% | 0.352 | 36% | 0.363 | S | S | . | . | trans | -80.5 | 123 | 173.2 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | T303 V304 | V299-T303 HydrophobicContact CG1-CG2 3.75Å; V299-V304 HydrophobicContact CG1-CG2 4.17Å | ||
| 300 | G | 54.4 | Low | 56.5 | Low | 33 Ų | 33 | 63.3 Ų | 63.3 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | trans | -60.2 | 149.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G302 T303 | G300-G302 PolarHBondContact O-N 3.15Å; G300-T303 PolarHBondContact O-N 3.49Å | ||
| 301 | E | 56.9 | Low | 58.4 | Low | 63 Ų | 63 | 60.6 Ų | 60.6 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -51 | -41.2 | 178.2 | -65.6 | 175.7 | 168.6 | 0 | 0 | 111.9 | E284 Q291 T303 V304 A305 | E284-E301 HydrophobicContact CG-CB 4.16Å; Q291-E301 VanDerWaalsContact CD-OE1 3.25Å; Q291-E301 HydrophobicContact CG-CG 3.88Å; Q291-E301 WeakPolarHBondContact CG-OE1 3.37Å; Q291-E301 PolarHBondContact NE2-OE1 2.77Å; E301-T303 PolarHBondContact O-N 3.38Å; E301-V304 PolarHBondContact O-N 3.21Å; E301-A305 PolarHBondContact O-N 3.4Å |
| 302 | G | 58.7 | Low | 60.3 | Low | 17 Ų | 17 | 57.9 Ų | 57.9 | 18% | 0.175 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.1 | -32.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G300 A305 A306 | G300-G302 PolarHBondContact O-N 3.15Å; G302-A305 PolarHBondContact O-N 3.33Å; G302-A306 VanDerWaalsContact O-CB 3.29Å; G302-A306 WeakPolarHBondContact O-CB 3.43Å; G302-A306 PolarHBondContact O-N 3.45Å |
| 303 | T | 66.1 | Low | 62.2 | Low | 34 Ų | 34 | 54.7 Ų | 54.7 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.7 | -36.8 | -178.6 | -50.5 | 0 | 0 | 0 | 0 | 111.9 | V299 G300 E301 A305 G307 | V299-T303 HydrophobicContact CG1-CG2 3.75Å; G300-T303 PolarHBondContact O-N 3.49Å; E301-T303 PolarHBondContact O-N 3.38Å; T303-A305 VanDerWaalsContact C-N 3.33Å; T303-G307 PolarHBondContact O-N 3.42Å |
| 304 | V | 68.6 | Low | 64.6 | Low | 15 Ų | 15 | 49 Ų | 49 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 174.2 | 170 | 0 | 0 | 0 | 0 | 110.4 | F53 I289 V299 E301 G307 Y308 | F53-V304 HydrophobicContact CE1-CB 4.2Å; F53-V304 HydrophobicContact CE1-CG1 3.63Å; F53-V304 HydrophobicContact CE1-CG2 3.58Å; F53-V304 HydrophobicContact CZ-CG1 4.31Å; F53-V304 HydrophobicContact CZ-CG2 3.53Å; I289-V304 HydrophobicContact CG2-CB 4.2Å; I289-V304 HydrophobicContact CG2-CG1 3.8Å; V299-V304 HydrophobicContact CG1-CG2 4.17Å; E301-V304 PolarHBondContact O-N 3.21Å; V304-G307 PolarHBondContact O-N 2.87Å; V304-Y308 HydrophobicContact CG1-CD2 4.17Å; V304-Y308 HydrophobicContact CG1-CE2 3.98Å; V304-Y308 WeakPolarHBondContact O-CD2 3.04Å; V304-Y308 PolarHBondContact O-N 3.42Å |
| 305 | A | 68.4 | Low | 67 | Low | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -50.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L280 I289 E301 G302 T303 G307 Y308 Q309 | L280-A305 HydrophobicContact CD1-CB 3.68Å; L280-A305 WeakPolarHBondContact CD1-O 3.28Å; L280-A305 HydrophobicContact CD2-CB 3.55Å; L280-A305 VanDerWaalsContact CD2-O 3.24Å; L280-A305 WeakPolarHBondContact CD2-O 3.25Å; L280-A305 HydrophobicContact CG-CB 3.48Å; L280-A305 VanDerWaalsContact CG-CB 3.48Å; I289-A305 HydrophobicContact CD1-CB 3.41Å; I289-A305 VanDerWaalsContact CD1-CB 3.41Å; E301-A305 PolarHBondContact O-N 3.4Å; G302-A305 PolarHBondContact O-N 3.33Å; T303-A305 VanDerWaalsContact C-N 3.33Å; A305-G307 PolarHBondContact O-N 3.14Å; A305-Y308 PolarHBondContact O-N 3.46Å; A305-Q309 PolarHBondContact O-N 2.82Å; A305-Q309 VanDerWaalsContact O-N 3.11Å |
| 306 | A | 70.3 | Confident | 69.3 | Low | 6 Ų | 6 | 43.3 Ų | 43.3 | 5% | 0.05 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.9 | -36.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y122 G302 Q309 N310 | Y122-A306 HydrophobicContact CE1-CB 4.39Å; Y122-A306 HydrophobicContact CE2-CB 3.63Å; Y122-A306 WeakPolarHBondContact OH-CB 3.31Å; G302-A306 VanDerWaalsContact O-CB 3.29Å; G302-A306 WeakPolarHBondContact O-CB 3.43Å; G302-A306 PolarHBondContact O-N 3.45Å; A306-Q309 PolarHBondContact O-N 3.1Å; A306-N310 PolarHBondContact O-N 3.25Å; A306-N310 PolarHBondContact O-ND2 2.88Å |
| 307 | G | 75.8 | Confident | 71.6 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L113 T303 V304 A305 Q309 N310 F311 | L113-G307 VanDerWaalsContact CD2-O 3.29Å; L113-G307 WeakPolarHBondContact CD2-O 3.38Å; T303-G307 PolarHBondContact O-N 3.42Å; V304-G307 PolarHBondContact O-N 2.87Å; A305-G307 PolarHBondContact O-N 3.14Å; G307-Q309 VanDerWaalsContact C-N 3.31Å; G307-Q309 PolarHBondContact O-N 3.37Å; G307-N310 PolarHBondContact O-N 3.22Å; G307-F311 PolarHBondContact O-N 2.87Å |
| 308 | Y | 78.1 | Confident | 73.7 | Confident | 90 Ų | 90 | 32.1 Ų | 32.1 | 35% | 0.353 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.8 | -38.7 | 176.1 | -81.3 | -72.1 | 0 | 0 | 0 | 111.8 | F54 L55 V304 A305 F311 I312 | F54-Y308 HydrophobicContact CD1-CE1 4.35Å; L55-Y308 HydrophobicContact CD1-CD1 4Å; L55-Y308 HydrophobicContact CD1-CD2 3.59Å; L55-Y308 HydrophobicContact CD1-CE1 4.06Å; L55-Y308 HydrophobicContact CD1-CE2 3.66Å; L55-Y308 HydrophobicContact CD1-CG 3.76Å; L55-Y308 HydrophobicContact CD2-CD1 4Å; L55-Y308 HydrophobicContact CD2-CE1 4.17Å; L55-Y308 HydrophobicContact CD2-CG 4.43Å; L55-Y308 HydrophobicContact CG-CD1 4.09Å; L55-Y308 HydrophobicContact CG-CD2 4.47Å; L55-Y308 HydrophobicContact CG-CE1 3.9Å; L55-Y308 HydrophobicContact CG-CE2 4.3Å; L55-Y308 HydrophobicContact CG-CG 4.37Å; V304-Y308 HydrophobicContact CG1-CD2 4.17Å; V304-Y308 HydrophobicContact CG1-CE2 3.98Å; V304-Y308 WeakPolarHBondContact O-CD2 3.04Å; V304-Y308 PolarHBondContact O-N 3.42Å; A305-Y308 PolarHBondContact O-N 3.46Å; Y308-F311 PolarHBondContact O-N 2.88Å; Y308-I312 WeakPolarHBondContact O-CG1 3.36Å; Y308-I312 PolarHBondContact O-N 3.01Å |
| 309 | Q | 80.6 | Confident | 75.9 | Confident | 28 Ų | 28 | 34.2 Ų | 34.2 | 13% | 0.131 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.9 | -48.1 | 174.7 | 178.4 | 176.8 | -13.2 | 0 | 0 | 111.4 | Q276 L280 A305 A306 G307 F311 I312 I313 | Q276-Q309 HydrophobicContact CB-CG 4.36Å; L280-Q309 HydrophobicContact CD2-CB 4.09Å; A305-Q309 PolarHBondContact O-N 2.82Å; A305-Q309 VanDerWaalsContact O-N 3.11Å; A306-Q309 PolarHBondContact O-N 3.1Å; G307-Q309 VanDerWaalsContact C-N 3.31Å; G307-Q309 PolarHBondContact O-N 3.37Å; Q309-F311 VanDerWaalsContact C-N 3.28Å; Q309-F311 PolarHBondContact O-N 3.04Å; Q309-I312 PolarHBondContact O-N 2.78Å; Q309-I313 HydrophobicContact CG-CD1 3.77Å; Q309-I313 HydrophobicContact CG-CG1 4.4Å; Q309-I313 VanDerWaalsContact O-CG1 3.25Å; Q309-I313 WeakPolarHBondContact O-CG1 3.41Å; Q309-I313 PolarHBondContact O-N 3.09Å |
| 310 | N | 81.8 | Confident | 77.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.1 | -33.9 | 178.3 | -73.3 | -30 | 0 | 0 | 0 | 112.8 | S112 L113 R129 A306 G307 C314 | S112-N310 WeakPolarHBondContact CB-ND2 3.4Å; S112-N310 PolarHBondContact OG-ND2 3.3Å; L113-N310 HydrophobicContact CD2-CB 4.04Å; L113-N310 HydrophobicContact CG-CB 4.06Å; R129-N310 PolarHBondContact NH1-OD1 2.86Å; A306-N310 PolarHBondContact O-N 3.25Å; A306-N310 PolarHBondContact O-ND2 2.88Å; G307-N310 PolarHBondContact O-N 3.22Å; N310-C314 PolarHBondContact O-N 3.16Å; N310-C314 PolarHBondContact O-SG 3.13Å |
| 311 | F | 84.8 | Confident | 79.1 | Confident | 27 Ų | 27 | 30.4 Ų | 30.4 | 12% | 0.118 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.8 | -45.9 | 173.3 | -179.8 | -99.9 | 0 | 0 | 0 | 112.5 | F54 L55 A60 L113 G307 Y308 Q309 I313 C314 I315 | F54-F311 HydrophobicContact CE1-CE1 4.24Å; F54-F311 HydrophobicContact CE1-CZ 4.27Å; L55-F311 HydrophobicContact CD2-CB 3.73Å; L55-F311 HydrophobicContact CD2-CG 4.14Å; A60-F311 HydrophobicContact CB-CE2 4.15Å; L113-F311 HydrophobicContact CD1-CB 4.25Å; L113-F311 HydrophobicContact CD1-CD2 4.39Å; L113-F311 HydrophobicContact CD2-CB 4.21Å; G307-F311 PolarHBondContact O-N 2.87Å; Y308-F311 PolarHBondContact O-N 2.88Å; Q309-F311 VanDerWaalsContact C-N 3.28Å; Q309-F311 PolarHBondContact O-N 3.04Å; F311-I313 VanDerWaalsContact C-N 3.35Å; F311-C314 WeakPolarHBondContact O-CB 3.35Å; F311-C314 PolarHBondContact O-N 3.15Å; F311-I315 HydrophobicContact CD1-CD1 4.34Å; F311-I315 HydrophobicContact CE1-CD1 3.72Å; F311-I315 HydrophobicContact CZ-CD1 3.92Å; F311-I315 PolarHBondContact O-N 3.44Å |
| 312 | I | 84.6 | Confident | 80.6 | Confident | 73 Ų | 73 | 30.1 Ų | 30.1 | 37% | 0.374 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.5 | -44.7 | 176.7 | -68.1 | 167 | 0 | 0 | 0 | 110.2 | Y308 Q309 C314 I315 E316 | Y308-I312 WeakPolarHBondContact O-CG1 3.36Å; Y308-I312 PolarHBondContact O-N 3.01Å; Q309-I312 PolarHBondContact O-N 2.78Å; I312-C314 VanDerWaalsContact C-N 3.3Å; I312-C314 PolarHBondContact O-N 2.78Å; I312-I315 PolarHBondContact O-N 3.32Å; I312-E316 HydrophobicContact CG2-CG 4.12Å; I312-E316 WeakPolarHBondContact CG2-OE1 3.32Å; I312-E316 WeakPolarHBondContact O-CG 3.33Å; I312-E316 PolarHBondContact O-N 2.93Å |
| 313 | I | 85.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.6 | -40.9 | 178.1 | -69.4 | 172.3 | 0 | 0 | 0 | 111.4 | Y105 S109 Q309 F311 I315 E316 M317 | Y105-I313 HydrophobicContact CD1-CG2 4.42Å; S109-I313 WeakPolarHBondContact OG-CG2 3.41Å; Q309-I313 HydrophobicContact CG-CD1 3.77Å; Q309-I313 HydrophobicContact CG-CG1 4.4Å; Q309-I313 VanDerWaalsContact O-CG1 3.25Å; Q309-I313 WeakPolarHBondContact O-CG1 3.41Å; Q309-I313 PolarHBondContact O-N 3.09Å; F311-I313 VanDerWaalsContact C-N 3.35Å; I313-I315 VanDerWaalsContact C-N 3.25Å; I313-I315 PolarHBondContact O-N 3.46Å; I313-E316 PolarHBondContact O-N 3.36Å; I313-M317 HydrophobicContact CG2-CE 4.08Å; I313-M317 HydrophobicContact CG2-CG 3.89Å; I313-M317 WeakPolarHBondContact O-CB 3.36Å; I313-M317 VanDerWaalsContact O-CG 3.22Å; I313-M317 WeakPolarHBondContact O-CG 3.27Å; I313-M317 PolarHBondContact O-N 3Å |
| 314 | C | 87.5 | Confident | 82.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.8 | -40.5 | 176 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | V68 N310 F311 I312 | V68-C314 HydrophobicContact CG2-CB 3.71Å; N310-C314 PolarHBondContact O-N 3.16Å; N310-C314 PolarHBondContact O-SG 3.13Å; F311-C314 WeakPolarHBondContact O-CB 3.35Å; F311-C314 PolarHBondContact O-N 3.15Å; I312-C314 VanDerWaalsContact C-N 3.3Å; I312-C314 PolarHBondContact O-N 2.78Å |
| 315 | I | 86.9 | Confident | 83.4 | Confident | 47 Ų | 47 | 33.2 Ų | 33.2 | 24% | 0.241 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.3 | -42.9 | 178.6 | -62.3 | 172.5 | 0 | 0 | 0 | 110.5 | F67 F311 I312 I313 M317 F318 F319 | F67-I315 HydrophobicContact CD2-CG1 4.09Å; F67-I315 HydrophobicContact CE2-CG1 4.39Å; F311-I315 HydrophobicContact CD1-CD1 4.34Å; F311-I315 HydrophobicContact CE1-CD1 3.72Å; F311-I315 HydrophobicContact CZ-CD1 3.92Å; F311-I315 PolarHBondContact O-N 3.44Å; I312-I315 PolarHBondContact O-N 3.32Å; I313-I315 VanDerWaalsContact C-N 3.25Å; I313-I315 PolarHBondContact O-N 3.46Å; I315-M317 PolarHBondContact O-N 2.86Å; I315-F318 WeakPolarHBondContact O-CB 3.07Å; I315-F318 PolarHBondContact O-N 3.39Å; I315-F319 HydrophobicContact CG2-CD2 4.3Å; I315-F319 HydrophobicContact CG2-CE2 3.85Å; I315-F319 WeakPolarHBondContact O-CD2 3.47Å |
| 316 | E | 87.3 | Confident | 84.1 | Confident | 51 Ų | 51 | 40.5 Ų | 40.5 | 24% | 0.238 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -37.9 | -179.4 | -71.8 | -174.3 | 170.2 | 0 | 0 | 113.1 | Q276 I312 I313 F318 F319 A320 | Q276-E316 PolarHBondContact NE2-OE1 3.38Å; Q276-E316 PolarHBondContact NE2-OE2 2.99Å; I312-E316 HydrophobicContact CG2-CG 4.12Å; I312-E316 WeakPolarHBondContact CG2-OE1 3.32Å; I312-E316 WeakPolarHBondContact O-CG 3.33Å; I312-E316 PolarHBondContact O-N 2.93Å; I313-E316 PolarHBondContact O-N 3.36Å; E316-F318 PolarHBondContact O-N 3.47Å; E316-F319 PolarHBondContact O-N 3.35Å; E316-F319 VanDerWaalsContact O-N 3.11Å; E316-A320 WeakPolarHBondContact O-CB 3.21Å; E316-A320 PolarHBondContact O-N 2.9Å |
| 317 | M | 88.2 | Confident | 84.6 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -28.4 | 177.4 | -73.4 | -53.6 | 121.9 | 0 | 0 | 112.5 | V102 Y105 A106 V269 I313 I315 A321 | V102-M317 HydrophobicContact CG1-CB 4.23Å; V102-M317 WeakPolarHBondContact CG1-O 3.37Å; V102-M317 HydrophobicContact CG2-SD 4.22Å; Y105-M317 HydrophobicContact CD1-CE 4.36Å; Y105-M317 HydrophobicContact CG-SD 4.44Å; A106-M317 HydrophobicContact CB-CB 3.87Å; A106-M317 HydrophobicContact CB-CG 4.17Å; V269-M317 HydrophobicContact CG1-CE 4.11Å; I313-M317 HydrophobicContact CG2-CE 4.08Å; I313-M317 HydrophobicContact CG2-CG 3.89Å; I313-M317 WeakPolarHBondContact O-CB 3.36Å; I313-M317 VanDerWaalsContact O-CG 3.22Å; I313-M317 WeakPolarHBondContact O-CG 3.27Å; I313-M317 PolarHBondContact O-N 3Å; I315-M317 PolarHBondContact O-N 2.86Å; M317-A321 WeakPolarHBondContact O-CB 3.29Å; M317-A321 PolarHBondContact O-N 3.25Å |
| 318 | F | 89 | Confident | 84.8 | Confident | 44 Ų | 44 | 41.3 Ų | 41.3 | 19% | 0.193 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.3 | -49.2 | 171.6 | 168.8 | -101.5 | 0 | 0 | 0 | 112.2 | F67 T70 A71 I74 I315 E316 A320 A321 V322 | F67-F318 HydrophobicContact CB-CB 4.31Å; F67-F318 HydrophobicContact CD1-CB 3.97Å; F67-F318 AromaticContact CD1-CD1 3.87Å; F67-F318 HydrophobicContact CD1-CD1 3.87Å; F67-F318 HydrophobicContact CD1-CD2 4.37Å; F67-F318 HydrophobicContact CD1-CE1 4.49Å; F67-F318 AromaticContact CD1-CG 3.8Å; F67-F318 HydrophobicContact CD1-CG 3.8Å; F67-F318 HydrophobicContact CE1-CD1 4.08Å; F67-F318 HydrophobicContact CE1-CE1 4.39Å; F67-F318 HydrophobicContact CE1-CG 4.46Å; T70-F318 HydrophobicContact CG2-CD2 3.98Å; T70-F318 HydrophobicContact CG2-CE2 3.56Å; A71-F318 HydrophobicContact CB-CB 4.35Å; I74-F318 HydrophobicContact CD1-CD2 4.4Å; I74-F318 HydrophobicContact CD1-CE2 3.97Å; I315-F318 WeakPolarHBondContact O-CB 3.07Å; I315-F318 PolarHBondContact O-N 3.39Å; E316-F318 PolarHBondContact O-N 3.47Å; F318-A320 VanDerWaalsContact C-N 3.31Å; F318-A320 PolarHBondContact O-N 3.34Å; F318-A321 WeakPolarHBondContact O-CB 3.41Å; F318-A321 PolarHBondContact O-N 3.27Å; F318-V322 HydrophobicContact CE2-CG2 4.46Å; F318-V322 HydrophobicContact CZ-CG2 4.39Å; F318-V322 PolarHBondContact O-N 3.49Å |
| 319 | F | 87.9 | Confident | 85 | Confident | 130 Ų | 130 | 39.3 Ų | 39.3 | 57% | 0.57 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -64.6 | -38.9 | 176.3 | -67.8 | -71.7 | 0 | 0 | 0 | 111.5 | I315 E316 A321 V322 A323 | I315-F319 HydrophobicContact CG2-CD2 4.3Å; I315-F319 HydrophobicContact CG2-CE2 3.85Å; I315-F319 WeakPolarHBondContact O-CD2 3.47Å; E316-F319 PolarHBondContact O-N 3.35Å; E316-F319 VanDerWaalsContact O-N 3.11Å; F319-A321 VanDerWaalsContact C-N 3.34Å; F319-A321 PolarHBondContact O-N 2.89Å; F319-V322 PolarHBondContact O-N 3.33Å; F319-A323 WeakPolarHBondContact O-CB 3.48Å; F319-A323 PolarHBondContact O-N 3.47Å |
| 320 | A | 85.8 | Confident | 84.9 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.4 | -41.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V102 V269 E316 F318 V322 A323 L324 | V102-A320 HydrophobicContact CG2-CB 4.15Å; V269-A320 HydrophobicContact CG2-CB 3.88Å; E316-A320 WeakPolarHBondContact O-CB 3.21Å; E316-A320 PolarHBondContact O-N 2.9Å; F318-A320 VanDerWaalsContact C-N 3.31Å; F318-A320 PolarHBondContact O-N 3.34Å; A320-V322 VanDerWaalsContact C-N 3.34Å; A320-V322 PolarHBondContact O-N 2.84Å; A320-A323 PolarHBondContact O-N 3.15Å; A320-L324 VanDerWaalsContact O-CB 3.27Å; A320-L324 WeakPolarHBondContact O-CB 3.47Å; A320-L324 WeakPolarHBondContact O-CG 3.16Å; A320-L324 PolarHBondContact O-N 2.68Å |
| 321 | A | 88.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.8 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A71 I74 T75 V102 M317 F318 F319 R325 | A71-A321 HydrophobicContact CB-CB 4.18Å; I74-A321 HydrophobicContact CB-CB 4.34Å; I74-A321 HydrophobicContact CG2-CB 4.08Å; T75-A321 HydrophobicContact CG2-CB 3.84Å; V102-A321 HydrophobicContact CG1-CB 4.06Å; M317-A321 WeakPolarHBondContact O-CB 3.29Å; M317-A321 PolarHBondContact O-N 3.25Å; F318-A321 WeakPolarHBondContact O-CB 3.41Å; F318-A321 PolarHBondContact O-N 3.27Å; F319-A321 VanDerWaalsContact C-N 3.34Å; F319-A321 PolarHBondContact O-N 2.89Å; A321-R325 WeakPolarHBondContact O-CB 3.36Å; A321-R325 PolarHBondContact O-N 3.26Å |
| 322 | V | 87.6 | Confident | 84.7 | Confident | 57 Ų | 57 | 47.8 Ų | 47.8 | 35% | 0.345 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68 | -40.7 | 178.7 | 178 | 0 | 0 | 0 | 0 | 111.2 | I74 F318 F319 A320 R325 H326 | I74-V322 HydrophobicContact CD1-CG2 4.09Å; F318-V322 HydrophobicContact CE2-CG2 4.46Å; F318-V322 HydrophobicContact CZ-CG2 4.39Å; F318-V322 PolarHBondContact O-N 3.49Å; F319-V322 PolarHBondContact O-N 3.33Å; A320-V322 VanDerWaalsContact C-N 3.34Å; A320-V322 PolarHBondContact O-N 2.84Å; V322-R325 WeakPolarHBondContact O-CB 3.41Å; V322-R325 PolarHBondContact O-N 3.47Å; V322-H326 PolarHBondContact O-N 2.94Å; V322-H326 PolarHBondContact O-ND1 2.75Å |
| 323 | A | 84.7 | Confident | 84.4 | Confident | 43 Ų | 43 | 44.7 Ų | 44.7 | 36% | 0.355 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66 | -45.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M265 F319 A320 R325 H326 A327 | M265-A323 HydrophobicContact CG-CB 3.95Å; F319-A323 WeakPolarHBondContact O-CB 3.48Å; F319-A323 PolarHBondContact O-N 3.47Å; A320-A323 PolarHBondContact O-N 3.15Å; A323-R325 VanDerWaalsContact C-N 3.25Å; A323-R325 PolarHBondContact O-N 3.33Å; A323-H326 PolarHBondContact O-N 3.49Å; A323-H326 VanDerWaalsContact O-N 3.1Å; A323-A327 WeakPolarHBondContact O-CB 3.37Å; A323-A327 PolarHBondContact O-N 3.2Å |
| 324 | L | 83.3 | Confident | 84 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.7 | -36 | 174.5 | -83.9 | 159 | 0 | 0 | 0 | 112 | Q78 I98 I101 V102 M265 A320 F328 | Q78-L324 PolarHBondContact NE2-O 2.96Å; I98-L324 HydrophobicContact CG2-CD2 4.21Å; I101-L324 HydrophobicContact CG2-CD1 4.34Å; V102-L324 HydrophobicContact CB-CD1 4.46Å; V102-L324 HydrophobicContact CG2-CD1 3.23Å; M265-L324 HydrophobicContact CE-CD2 3.14Å; M265-L324 HydrophobicContact CE-CG 3.73Å; M265-L324 HydrophobicContact SD-CD1 4.31Å; M265-L324 HydrophobicContact SD-CD2 3.48Å; M265-L324 WeakPolarHBondContact SD-CD2 3.5Å; M265-L324 HydrophobicContact SD-CG 3.47Å; M265-L324 WeakPolarHBondContact SD-CG 3.33Å; A320-L324 VanDerWaalsContact O-CB 3.27Å; A320-L324 WeakPolarHBondContact O-CB 3.47Å; A320-L324 WeakPolarHBondContact O-CG 3.16Å; A320-L324 PolarHBondContact O-N 2.68Å; L324-F328 HydrophobicContact CD2-CD2 3.78Å; L324-F328 HydrophobicContact CD2-CE2 3.86Å; L324-F328 PolarHBondContact O-N 2.7Å |
| 325 | R | 85.4 | Confident | 83.6 | Confident | 88 Ų | 88 | 50.8 Ų | 50.8 | 33% | 0.332 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 174 | -175.4 | 172.1 | 177.5 | 152 | -0.3 | 113 | A321 V322 A323 | A321-R325 WeakPolarHBondContact O-CB 3.36Å; A321-R325 PolarHBondContact O-N 3.26Å; V322-R325 WeakPolarHBondContact O-CB 3.41Å; V322-R325 PolarHBondContact O-N 3.47Å; A323-R325 VanDerWaalsContact C-N 3.25Å; A323-R325 PolarHBondContact O-N 3.33Å |
| 326 | H | 83.1 | Confident | 83.1 | Confident | 153 Ų | 153 | 52 Ų | 52 | 71% | 0.708 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -76.6 | -42.9 | 176.3 | -82.3 | 76.2 | 0 | 0 | 0 | 112.2 | V322 A323 | V322-H326 PolarHBondContact O-N 2.94Å; V322-H326 PolarHBondContact O-ND1 2.75Å; A323-H326 PolarHBondContact O-N 3.49Å; A323-H326 VanDerWaalsContact O-N 3.1Å |
| 327 | A | 80.3 | Confident | 82.3 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.4 | -42.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K262 M265 A323 | K262-A327 WeakPolarHBondContact CE-O 3.18Å; K262-A327 HydrophobicContact CG-CB 4.05Å; M265-A327 HydrophobicContact CE-CB 3.98Å; A323-A327 WeakPolarHBondContact O-CB 3.37Å; A323-A327 PolarHBondContact O-N 3.2Å |
| 328 | F | 79.4 | Confident | 81.5 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 2% | 0.022 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 66.4 | -179.6 | -61.4 | -65.9 | 0 | 0 | 0 | 112 | Q78 H82 I95 I98 L99 L143 K262 M265 V266 L324 | Q78-F328 PolarHBondContact NE2-O 3.48Å; H82-F328 PolarHBondContact NE2-O 2.75Å; I95-F328 HydrophobicContact CD1-CD1 4.32Å; I95-F328 HydrophobicContact CG1-CD1 4.05Å; I95-F328 HydrophobicContact CG1-CE1 4.32Å; I95-F328 HydrophobicContact CG2-CB 3.86Å; I95-F328 HydrophobicContact CG2-CD1 4.18Å; I95-F328 HydrophobicContact CG2-CG 4.01Å; I98-F328 HydrophobicContact CD1-CZ 4.4Å; I98-F328 HydrophobicContact CG2-CE2 4.04Å; L99-F328 HydrophobicContact CD1-CB 4.18Å; L99-F328 HydrophobicContact CD1-CD2 3.96Å; L99-F328 HydrophobicContact CD1-CG 4.34Å; L143-F328 HydrophobicContact CD2-CE1 3.7Å; L143-F328 HydrophobicContact CD2-CZ 4.16Å; K262-F328 HydrophobicContact CB-CE1 4.38Å; K262-F328 HydrophobicContact CB-CZ 4.32Å; K262-F328 HydrophobicContact CD-CD1 4.31Å; K262-F328 HydrophobicContact CD-CE1 3.93Å; K262-F328 HydrophobicContact CG-CD1 4.46Å; K262-F328 HydrophobicContact CG-CE1 4.04Å; K262-F328 HydrophobicContact CG-CZ 4.36Å; M265-F328 HydrophobicContact CE-CD2 4.11Å; M265-F328 HydrophobicContact CE-CE2 3.56Å; M265-F328 HydrophobicContact CE-CZ 4.43Å; V266-F328 HydrophobicContact CG2-CE2 4.44Å; L324-F328 HydrophobicContact CD2-CD2 3.78Å; L324-F328 HydrophobicContact CD2-CE2 3.86Å; L324-F328 PolarHBondContact O-N 2.7Å |
| 329 | T | 82.8 | Confident | 80.5 | Confident | 49 Ų | 49 | 62.6 Ų | 62.6 | 30% | 0.301 | 31% | 0.312 | S | S | . | . | trans | -65.7 | 133.5 | 178.7 | -164.9 | 0 | 0 | 0 | 0 | 111.8 | K331 V332 | T329-K331 VanDerWaalsContact C-N 3.26Å; T329-K331 HydrophobicContact CG2-CB 4.48Å; T329-K331 PolarHBondContact O-N 3.49Å; T329-V332 HydrophobicContact CG2-CG2 3.74Å | ||
| 330 | Y | 78.7 | Confident | 79.3 | Confident | 39 Ų | 39 | 61.3 Ų | 61.3 | 15% | 0.153 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -75.4 | -16 | 176.2 | 63.7 | -94.8 | 0 | 0 | 0 | 112.6 | M81 V332 Y333 M334 | M81-Y330 HydrophobicContact CB-CD1 3.89Å; M81-Y330 HydrophobicContact CB-CD2 4.09Å; M81-Y330 HydrophobicContact CB-CE1 4.38Å; M81-Y330 HydrophobicContact CB-CG 3.73Å; M81-Y330 HydrophobicContact CE-CD2 3.66Å; M81-Y330 HydrophobicContact CE-CE1 4.34Å; M81-Y330 HydrophobicContact CE-CE2 3.17Å; M81-Y330 HydrophobicContact CE-CG 4.41Å; M81-Y330 HydrophobicContact CG-CD1 4.35Å; M81-Y330 HydrophobicContact CG-CE1 4.34Å; M81-Y330 HydrophobicContact CG-CG 4.46Å; Y330-V332 VanDerWaalsContact C-N 3.29Å; Y330-V332 PolarHBondContact O-N 3.27Å; Y330-Y333 PolarHBondContact O-N 2.7Å; Y330-Y333 VanDerWaalsContact O-N 3.09Å; Y330-M334 PolarHBondContact O-N 3.15Å; Y330-M334 VanDerWaalsContact O-N 3.07Å |
| 331 | K | 80.5 | Confident | 78.2 | Confident | 121 Ų | 121 | 69.2 Ų | 69.2 | 53% | 0.526 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.8 | -38.1 | -175.6 | -66.2 | -175.7 | 179.3 | -178.6 | 0 | 112.5 | T329 Y333 M334 D335 | T329-K331 VanDerWaalsContact C-N 3.26Å; T329-K331 HydrophobicContact CG2-CB 4.48Å; T329-K331 PolarHBondContact O-N 3.49Å; K331-Y333 PolarHBondContact O-N 3.14Å; K331-M334 WeakPolarHBondContact O-CB 3.3Å; K331-M334 PolarHBondContact O-N 3.39Å; K331-M334 VanDerWaalsContact O-N 3.1Å; K331-D335 PolarHBondContact O-N 3.05Å |
| 332 | V | 80.8 | Confident | 76.6 | Confident | 72 Ų | 72 | 71.3 Ų | 71.3 | 44% | 0.436 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.1 | -36.1 | 177.3 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | T329 Y330 K336 | T329-V332 HydrophobicContact CG2-CG2 3.74Å; Y330-V332 VanDerWaalsContact C-N 3.29Å; Y330-V332 PolarHBondContact O-N 3.27Å; V332-K336 WeakPolarHBondContact O-CG 3.43Å; V332-K336 PolarHBondContact O-N 3.48Å |
| 333 | Y | 78.9 | Confident | 74.6 | Confident | 9 Ų | 9 | 73.8 Ų | 73.8 | 4% | 0.035 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -84.1 | -28 | 179.1 | -60.7 | -74 | 0 | 0 | 0 | 112.9 | H82 S87 E91 Q92 I95 Y330 K331 R337 | H82-Y333 AromaticContact CE1-CD2 3.82Å; H82-Y333 AromaticContact CE1-CE2 3.92Å; H82-Y333 AromaticContact ND1-CD2 3.83Å; S87-Y333 PolarHBondContact OG-O 3.35Å; E91-Y333 VanDerWaalsContact OE2-CE1 3.23Å; E91-Y333 WeakPolarHBondContact OE2-CE1 3.46Å; E91-Y333 PolarHBondContact OE2-OH 3.17Å; Q92-Y333 HydrophobicContact CG-CD1 3.77Å; Q92-Y333 HydrophobicContact CG-CD2 4.14Å; Q92-Y333 HydrophobicContact CG-CE1 3.67Å; Q92-Y333 HydrophobicContact CG-CE2 4.04Å; Q92-Y333 HydrophobicContact CG-CG 4.01Å; Q92-Y333 VanDerWaalsContact NE2-CG 3.25Å; I95-Y333 HydrophobicContact CD1-CE2 3.9Å; I95-Y333 WeakPolarHBondContact CD1-OH 3.43Å; Y330-Y333 PolarHBondContact O-N 2.7Å; Y330-Y333 VanDerWaalsContact O-N 3.09Å; K331-Y333 PolarHBondContact O-N 3.14Å; Y333-R337 PolarHBondContact O-N 2.97Å; Y333-R337 VanDerWaalsContact O-N 3.13Å |
| 334 | M | 78.5 | Confident | 72.5 | Confident | 49 Ų | 49 | 80.6 Ų | 80.6 | 24% | 0.241 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.7 | -48.3 | 171.6 | -172.6 | -174.7 | 81 | 0 | 0 | 110.9 | Y85 Y330 K331 R337 L338 | Y85-M334 HydrophobicContact CD1-CB 4.13Å; Y85-M334 HydrophobicContact CD1-CG 3.86Å; Y85-M334 HydrophobicContact CD2-CB 4.47Å; Y85-M334 HydrophobicContact CE1-CB 4.38Å; Y85-M334 HydrophobicContact CE1-CG 3.64Å; Y85-M334 HydrophobicContact CE1-SD 4.43Å; Y85-M334 HydrophobicContact CE2-CG 4.37Å; Y85-M334 HydrophobicContact CG-CB 4.19Å; Y85-M334 HydrophobicContact CG-CG 4.32Å; Y330-M334 PolarHBondContact O-N 3.15Å; Y330-M334 VanDerWaalsContact O-N 3.07Å; K331-M334 WeakPolarHBondContact O-CB 3.3Å; K331-M334 PolarHBondContact O-N 3.39Å; K331-M334 VanDerWaalsContact O-N 3.1Å; M334-R337 WeakPolarHBondContact O-CB 3.09Å; M334-R337 PolarHBondContact O-N 3.21Å; M334-R337 VanDerWaalsContact O-N 3.15Å; M334-L338 HydrophobicContact CE-CD1 4.4Å; M334-L338 HydrophobicContact CG-CD1 4.28Å; M334-L338 WeakPolarHBondContact O-CG 3.28Å; M334-L338 PolarHBondContact O-N 3Å |
| 335 | D | 78.9 | Confident | 70.6 | Confident | 79 Ų | 79 | 86.3 Ų | 86.3 | 42% | 0.422 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.6 | -46.3 | -179.5 | -64.4 | -17.1 | 0 | 0 | 0 | 110.8 | K331 R337 L338 D339 | K331-D335 PolarHBondContact O-N 3.05Å; D335-R337 PolarHBondContact O-N 3.23Å; D335-R337 VanDerWaalsContact O-N 3.16Å; D335-L338 PolarHBondContact O-N 3.27Å; D335-D339 PolarHBondContact O-N 2.92Å |
| 336 | K | 76 | Confident | 68.5 | Low | 73 Ų | 73 | 89.3 Ų | 89.3 | 32% | 0.317 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -53.3 | -37.8 | 172.2 | -77.2 | 179.6 | 178.8 | -176 | 0 | 113.1 | V332 S340 | V332-K336 WeakPolarHBondContact O-CG 3.43Å; V332-K336 PolarHBondContact O-N 3.48Å; K336-S340 WeakPolarHBondContact O-CB 3.5Å; K336-S340 PolarHBondContact O-N 3.4Å; K336-S340 VanDerWaalsContact O-N 3.09Å; K336-S340 PolarHBondContact O-OG 2.91Å |
| 337 | R | 71.4 | Confident | 66.6 | Low | 97 Ų | 97 | 92.9 Ų | 92.9 | 37% | 0.366 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.1 | -42.4 | 177.3 | -163.5 | -176.6 | 174.8 | 177 | 4.1 | 111.9 | R84 S87 Y333 M334 D335 S340 Y341 | R84-R337 PolarHBondContact O-NH1 3.42Å; S87-R337 WeakPolarHBondContact OG-CB 3.38Å; Y333-R337 PolarHBondContact O-N 2.97Å; Y333-R337 VanDerWaalsContact O-N 3.13Å; M334-R337 WeakPolarHBondContact O-CB 3.09Å; M334-R337 PolarHBondContact O-N 3.21Å; M334-R337 VanDerWaalsContact O-N 3.15Å; D335-R337 PolarHBondContact O-N 3.23Å; D335-R337 VanDerWaalsContact O-N 3.16Å; R337-S340 PolarHBondContact O-N 3.13Å; R337-Y341 PolarHBondContact O-N 3.33Å |
| 338 | L | 71 | Confident | 64.5 | Low | 104 Ų | 104 | 94.6 Ų | 94.6 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -42.1 | -179.9 | -69.8 | 170.6 | 0 | 0 | 0 | 110.7 | M334 D335 S340 Y341 G342 | M334-L338 HydrophobicContact CE-CD1 4.4Å; M334-L338 HydrophobicContact CG-CD1 4.28Å; M334-L338 WeakPolarHBondContact O-CG 3.28Å; M334-L338 PolarHBondContact O-N 3Å; D335-L338 PolarHBondContact O-N 3.27Å; L338-S340 VanDerWaalsContact C-N 3.35Å; L338-S340 PolarHBondContact O-N 3.28Å; L338-Y341 CarbonylContact O-C 3.45Å; L338-Y341 PolarHBondContact O-N 3.41Å; L338-Y341 VanDerWaalsContact O-N 3.12Å; L338-G342 PolarHBondContact O-N 3.31Å |
| 339 | D | 68.3 | Low | 62.7 | Low | 118 Ų | 118 | 102.9 Ų | 102.9 | 63% | 0.631 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.6 | -40.2 | 175.1 | -67.1 | -23.1 | 0 | 0 | 0 | 111.6 | D335 Y341 G342 | D335-D339 PolarHBondContact O-N 2.92Å; D339-Y341 PolarHBondContact O-N 2.97Å; D339-G342 CarbonylContact O-C 3.58Å; D339-G342 PolarHBondContact O-N 3.11Å |
| 340 | S | 62.3 | Low | 61 | Low | 103 Ų | 103 | 111.8 Ų | 111.8 | 72% | 0.72 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65 | -24.5 | 175 | -60.2 | 0 | 0 | 0 | 0 | 113.2 | K336 R337 L338 | K336-S340 WeakPolarHBondContact O-CB 3.5Å; K336-S340 PolarHBondContact O-N 3.4Å; K336-S340 VanDerWaalsContact O-N 3.09Å; K336-S340 PolarHBondContact O-OG 2.91Å; R337-S340 PolarHBondContact O-N 3.13Å; L338-S340 VanDerWaalsContact C-N 3.35Å; L338-S340 PolarHBondContact O-N 3.28Å |
| 341 | Y | 62.8 | Low | 59.1 | Low | 175 Ų | 175 | 113 Ų | 113 | 69% | 0.686 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -3.7 | 172.8 | -96.6 | -100.6 | 0 | 0 | 0 | 112.9 | R337 L338 D339 | R337-Y341 PolarHBondContact O-N 3.33Å; L338-Y341 CarbonylContact O-C 3.45Å; L338-Y341 PolarHBondContact O-N 3.41Å; L338-Y341 VanDerWaalsContact O-N 3.12Å; D339-Y341 PolarHBondContact O-N 2.97Å |
| 342 | G | 55.2 | Low | 56.9 | Low | 44 Ų | 44 | 119.2 Ų | 119.2 | 45% | 0.454 | 61% | 0.611 | S | S | . | * | trans | -124.3 | 71.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L338 D339 | L338-G342 PolarHBondContact O-N 3.31Å; D339-G342 CarbonylContact O-C 3.58Å; D339-G342 PolarHBondContact O-N 3.11Å | ||
| 343 | S | 44.9 | Very low | 55 | Low | 110 Ų | 110 | 121 Ų | 121 | 77% | 0.769 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -156 | 101.5 | 147.1 | -82.5 | 0 | 0 | 0 | 0 | 108.1 | ||
| 344 | F | 39.5 | Very low | 53.4 | Low | 186 Ų | 186 | 124.2 Ų | 124.2 | 82% | 0.816 | 65% | 0.653 | S | S | * | * | trans | 69.4 | 107.5 | -176.8 | -63.6 | -85.2 | 0 | 0 | 0 | 117.5 | I346 | F344-I346 PolarHBondContact O-N 2.91Š| ||
| 345 | P | 43.6 | Very low | 51.7 | Low | 121 Ų | 121 | 127.4 Ų | 127.4 | 79% | 0.786 | 68% | 0.678 | S | S | * | * | trans | -82.1 | 86.3 | 157.2 | 33.4 | -25.6 | 0 | 0 | 0 | 107.9 | Y347 | P345-Y347 PolarHBondContact O-N 2.96Š| ||
| 346 | I | 40.9 | Very low | 50.2 | Low | 150 Ų | 150 | 132.1 Ų | 132.1 | 77% | 0.769 | 70% | 0.699 | S | S | * | * | trans | -71.9 | 113.5 | 153.1 | -65.1 | -169.3 | 0 | 0 | 0 | 105 | F344 G348 | F344-I346 PolarHBondContact O-N 2.91Å; I346-G348 PolarHBondContact O-N 3.06Å | ||
| 347 | Y | 44.3 | Very low | 49.3 | Very low | 229 Ų | 229 | 134.7 Ų | 134.7 | 90% | 0.898 | 71% | 0.71 | S | S | * | * | trans | -58.4 | 82.9 | 166.9 | -102.4 | -94.3 | 0 | 0 | 0 | 108.7 | P345 Q349 | P345-Y347 PolarHBondContact O-N 2.96Å; Y347-Q349 PolarHBondContact O-N 3Å | ||
| 348 | G | 36.9 | Very low | 49.3 | Very low | 53 Ų | 53 | 133.2 Ų | 133.2 | 55% | 0.546 | 72% | 0.715 | S | S | . | * | trans | -84.2 | 102.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | I346 Y350 | I346-G348 PolarHBondContact O-N 3.06Å; G348-Y350 PolarHBondContact O-N 3.47Å | ||
| 349 | Q | 40.3 | Very low | 49.5 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 84% | 0.841 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -52.3 | 115.9 | 165.9 | -167.9 | 167 | -3.8 | 0 | 0 | 108.2 | Y347 | Y347-Q349 PolarHBondContact O-N 3Š|
| 350 | Y | 46.9 | Very low | 49.8 | Very low | 236 Ų | 236 | 129.4 Ų | 129.4 | 93% | 0.925 | 70% | 0.701 | S | S | * | * | trans | 80.7 | 75.7 | -166.9 | -67 | -94.1 | 0 | 0 | 0 | 116.5 | G348 | G348-Y350 PolarHBondContact O-N 3.47Š| ||
| 351 | G | 39.8 | Very low | 50.4 | Low | 65 Ų | 65 | 126.7 Ų | 126.7 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | trans | -127.3 | 101.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | C353 | G351-C353 PolarHBondContact O-N 3.23Å; G351-C353 VanDerWaalsContact O-N 3.12Å | ||
| 352 | R | 34.7 | Very low | 51 | Low | 251 Ų | 251 | 118.8 Ų | 118.8 | 95% | 0.947 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 116.5 | 175.7 | -82.4 | 172.7 | 163.8 | 164.4 | -5.7 | 110.1 | A354 | R352-A354 PolarHBondContact O-N 3.5Å; R352-A354 VanDerWaalsContact O-N 3.13Å |
| 353 | C | 40.6 | Very low | 52.1 | Low | 110 Ų | 110 | 119.4 Ų | 119.4 | 74% | 0.743 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 121.8 | 152.7 | -76.8 | 0 | 0 | 0 | 0 | 106.4 | G351 | G351-C353 PolarHBondContact O-N 3.23Å; G351-C353 VanDerWaalsContact O-N 3.12Å |
| 354 | A | 44.3 | Very low | 53.8 | Low | 75 Ų | 75 | 122.4 Ų | 122.4 | 62% | 0.62 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 129.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | R352 M356 | R352-A354 PolarHBondContact O-N 3.5Å; R352-A354 VanDerWaalsContact O-N 3.13Å; A354-M356 PolarHBondContact O-N 2.89Å; A354-M356 VanDerWaalsContact O-N 3.11Å |
| 355 | P | 44.3 | Very low | 55.5 | Low | 117 Ų | 117 | 117.9 Ų | 117.9 | 76% | 0.76 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 129.1 | -175.9 | 22.9 | -31.5 | 0 | 0 | 0 | 106.6 | K357 | P355-K357 PolarHBondContact O-N 3.38Š|
| 356 | M | 45.7 | Very low | 56.8 | Low | 177 Ų | 177 | 112.1 Ų | 112.1 | 87% | 0.872 | 59% | 0.588 | S | S | * | * | trans | -56.6 | 97 | 169 | -74.6 | -175.6 | 69.9 | 0 | 0 | 106 | A354 S358 | A354-M356 PolarHBondContact O-N 2.89Å; A354-M356 VanDerWaalsContact O-N 3.11Å; M356-S358 PolarHBondContact O-N 3.04Å; M356-S358 VanDerWaalsContact O-N 3.07Å | ||
| 357 | K | 58.4 | Low | 58.5 | Low | 127 Ų | 127 | 107.8 Ų | 107.8 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | trans | -50.1 | 122.9 | 162.9 | -90.2 | -171.7 | 171.7 | -170.5 | 0 | 104 | P355 I359 E365 | P355-K357 PolarHBondContact O-N 3.38Å; K357-I359 PolarHBondContact O-N 2.81Å; K357-E365 IonicContact NZ-OE1 3.66Å; K357-E365 IonicContact NZ-OE2 3.04Å; K357-E365 PolarHBondContact NZ-OE2 2.74Å | ||
| 358 | S | 71.6 | Confident | 60.2 | Low | 66 Ų | 66 | 101 Ų | 101 | 46% | 0.462 | 54% | 0.544 | S | S | . | . | trans | -51.8 | 137.8 | -178.5 | 177.6 | 0 | 0 | 0 | 0 | 108.3 | M356 S360 S361 S362 | M356-S358 PolarHBondContact O-N 3.04Å; M356-S358 VanDerWaalsContact O-N 3.07Å; S358-S360 PolarHBondContact O-N 2.98Å; S358-S360 PolarHBondContact OG-N 2.97Å; S358-S360 PolarHBondContact OG-OG 3.4Å; S358-S361 PolarHBondContact N-OG 2.88Å; S358-S361 VanDerWaalsContact N-OG 3.14Å; S358-S361 WeakPolarHBondContact O-CA 3.09Å; S358-S361 PolarHBondContact O-N 3.12Å; S358-S361 PolarHBondContact O-OG 3.18Å; S358-S362 PolarHBondContact O-N 3.49Å | ||
| 359 | I | 73.5 | Confident | 62.2 | Low | 64 Ų | 64 | 101.4 Ų | 101.4 | 33% | 0.328 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -52.2 | -32.2 | 176.8 | -65.4 | 171.8 | 0 | 0 | 0 | 110.1 | Y80 L83 K357 S362 L363 | Y80-I359 HydrophobicContact CD2-CD1 4.45Å; Y80-I359 HydrophobicContact CE2-CD1 3.86Å; L83-I359 HydrophobicContact CB-CG2 4.06Å; L83-I359 HydrophobicContact CD1-CG2 3.84Å; K357-I359 PolarHBondContact O-N 2.81Å; I359-S362 PolarHBondContact O-N 3.27Å; I359-L363 WeakPolarHBondContact O-CB 3.43Å; I359-L363 PolarHBondContact O-N 3.05Å |
| 360 | S | 76.3 | Confident | 64 | Low | 79 Ų | 79 | 94.1 Ų | 94.1 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.7 | -38.4 | 173 | 63.7 | 0 | 0 | 0 | 0 | 114.1 | S358 L363 K364 | S358-S360 PolarHBondContact O-N 2.98Å; S358-S360 PolarHBondContact OG-N 2.97Å; S358-S360 PolarHBondContact OG-OG 3.4Å; S360-L363 PolarHBondContact O-N 3Å; S360-K364 WeakPolarHBondContact O-CB 3.43Å; S360-K364 PolarHBondContact O-N 3.28Å |
| 361 | S | 74.1 | Confident | 65.5 | Low | 45 Ų | 45 | 84.9 Ų | 84.9 | 32% | 0.315 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.9 | -41.1 | 175.3 | 60.1 | 0 | 0 | 0 | 0 | 111.1 | S358 L363 K364 E365 | S358-S361 PolarHBondContact N-OG 2.88Å; S358-S361 VanDerWaalsContact N-OG 3.14Å; S358-S361 WeakPolarHBondContact O-CA 3.09Å; S358-S361 PolarHBondContact O-N 3.12Å; S358-S361 PolarHBondContact O-OG 3.18Å; S361-L363 VanDerWaalsContact C-N 3.33Å; S361-L363 PolarHBondContact O-N 3.45Å; S361-K364 PolarHBondContact O-N 3.07Å; S361-E365 VanDerWaalsContact O-CB 3.26Å; S361-E365 WeakPolarHBondContact O-CB 3.43Å; S361-E365 PolarHBondContact O-N 3.14Å |
| 362 | S | 75.8 | Confident | 67.4 | Low | 9 Ų | 9 | 83.6 Ų | 83.6 | 6% | 0.063 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 175.3 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | S358 I359 T366 | S358-S362 PolarHBondContact O-N 3.49Å; I359-S362 PolarHBondContact O-N 3.27Å; S362-T366 WeakPolarHBondContact O-CB 3.34Å; S362-T366 PolarHBondContact O-N 3.44Å; S362-T366 PolarHBondContact O-OG1 2.98Å |
| 363 | L | 78.4 | Confident | 69.6 | Low | 57 Ų | 57 | 75.3 Ų | 75.3 | 30% | 0.298 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 174.9 | -179 | 64.8 | 0 | 0 | 0 | 112 | L83 F100 I359 S360 S361 T366 M367 | L83-L363 HydrophobicContact CD1-CB 4.23Å; L83-L363 HydrophobicContact CD1-CD1 4.21Å; F100-L363 HydrophobicContact CE2-CD1 3.68Å; F100-L363 HydrophobicContact CZ-CD1 3.7Å; I359-L363 WeakPolarHBondContact O-CB 3.43Å; I359-L363 PolarHBondContact O-N 3.05Å; S360-L363 PolarHBondContact O-N 3Å; S361-L363 VanDerWaalsContact C-N 3.33Å; S361-L363 PolarHBondContact O-N 3.45Å; L363-T366 WeakPolarHBondContact O-CB 3.41Å; L363-T366 PolarHBondContact O-N 3.05Å; L363-M367 HydrophobicContact CD1-CG 3.92Å; L363-M367 HydrophobicContact CG-CG 4.34Å; L363-M367 WeakPolarHBondContact O-CB 3.32Å; L363-M367 VanDerWaalsContact O-CG 3.29Å; L363-M367 WeakPolarHBondContact O-CG 3.29Å; L363-M367 PolarHBondContact O-N 3.33Å |
| 364 | K | 80.1 | Confident | 71.4 | Confident | 173 Ų | 173 | 76.7 Ų | 76.7 | 75% | 0.752 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.5 | -45.5 | 177.6 | -176.6 | -178.9 | 178.9 | -176.1 | 0 | 111.6 | S360 S361 T366 M367 N368 | S360-K364 WeakPolarHBondContact O-CB 3.43Å; S360-K364 PolarHBondContact O-N 3.28Å; S361-K364 PolarHBondContact O-N 3.07Å; K364-T366 VanDerWaalsContact C-N 3.29Å; K364-T366 PolarHBondContact O-N 2.76Å; K364-M367 PolarHBondContact O-N 2.9Å; K364-N368 PolarHBondContact O-N 2.77Å |
| 365 | E | 74.6 | Confident | 72.9 | Confident | 92 Ų | 92 | 74.9 Ų | 74.9 | 43% | 0.43 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 175.5 | -168.6 | 171.9 | 178.7 | 0 | 0 | 110.2 | R93 K357 S361 M367 | R93-E365 PolarHBondContact NE-O 3.32Å; R93-E365 VanDerWaalsContact NE-O 3.14Å; R93-E365 PolarHBondContact NH2-O 2.89Å; K357-E365 IonicContact NZ-OE1 3.66Å; K357-E365 IonicContact NZ-OE2 3.04Å; K357-E365 PolarHBondContact NZ-OE2 2.74Å; S361-E365 VanDerWaalsContact O-CB 3.26Å; S361-E365 WeakPolarHBondContact O-CB 3.43Å; S361-E365 PolarHBondContact O-N 3.14Å; E365-M367 PolarHBondContact O-N 2.78Å |
| 366 | T | 72.1 | Confident | 74.4 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 177.2 | -65.3 | 0 | 0 | 0 | 0 | 112.6 | Y86 R93 V96 R97 S362 L363 K364 N368 | Y86-T366 PolarHBondContact OH-OG1 3.47Å; R93-T366 HydrophobicContact CB-CG2 4.33Å; R93-T366 HydrophobicContact CG-CG2 4.07Å; R93-T366 WeakPolarHBondContact O-CG2 3.28Å; V96-T366 HydrophobicContact CB-CG2 3.73Å; V96-T366 HydrophobicContact CG1-CG2 3.61Å; R97-T366 HydrophobicContact CG-CG2 4.42Å; R97-T366 PolarHBondContact NE-O 2.79Å; R97-T366 PolarHBondContact NH2-O 3.01Å; S362-T366 WeakPolarHBondContact O-CB 3.34Å; S362-T366 PolarHBondContact O-N 3.44Å; S362-T366 PolarHBondContact O-OG1 2.98Å; L363-T366 WeakPolarHBondContact O-CB 3.41Å; L363-T366 PolarHBondContact O-N 3.05Å; K364-T366 VanDerWaalsContact C-N 3.29Å; K364-T366 PolarHBondContact O-N 2.76Å; T366-N368 PolarHBondContact O-N 2.91Å |
| 367 | M | 76.9 | Confident | 76.1 | Confident | 58 Ų | 58 | 67 Ų | 67 | 29% | 0.286 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -84.3 | -5.2 | -174.1 | -68.3 | -89.2 | 70.9 | 0 | 0 | 114.7 | R97 F100 F135 L363 K364 E365 P369 | R97-M367 HydrophobicContact CB-CE 4.1Å; R97-M367 HydrophobicContact CG-CE 3.39Å; F100-M367 HydrophobicContact CD2-CE 3.83Å; F100-M367 HydrophobicContact CD2-SD 3.59Å; F100-M367 VanDerWaalsContact CD2-SD 3.59Å; F100-M367 HydrophobicContact CE2-CE 4.26Å; F100-M367 HydrophobicContact CE2-CG 4.39Å; F100-M367 HydrophobicContact CE2-SD 3.59Å; F100-M367 VanDerWaalsContact CE2-SD 3.59Å; F100-M367 HydrophobicContact CG-SD 4.23Å; F100-M367 HydrophobicContact CZ-SD 4.23Å; F135-M367 HydrophobicContact CE1-CE 4.41Å; L363-M367 HydrophobicContact CD1-CG 3.92Å; L363-M367 HydrophobicContact CG-CG 4.34Å; L363-M367 WeakPolarHBondContact O-CB 3.32Å; L363-M367 VanDerWaalsContact O-CG 3.29Å; L363-M367 WeakPolarHBondContact O-CG 3.29Å; L363-M367 PolarHBondContact O-N 3.33Å; K364-M367 PolarHBondContact O-N 2.9Å; E365-M367 PolarHBondContact O-N 2.78Å; M367-P369 WeakPolarHBondContact O-CD 3.34Å |
| 368 | N | 79.6 | Confident | 77 | Confident | 86 Ų | 86 | 64.1 Ų | 64.1 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | trans | -66.6 | 119.6 | -179.7 | -176.3 | -0.5 | 0 | 0 | 0 | 111.1 | R93 R97 K364 T366 G370 | R93-N368 PolarHBondContact NH2-O 3.32Å; R93-N368 VanDerWaalsContact NH2-O 3.13Å; R97-N368 PolarHBondContact NH2-O 3.36Å; K364-N368 PolarHBondContact O-N 2.77Å; T366-N368 PolarHBondContact O-N 2.91Å; N368-G370 PolarHBondContact O-N 3.13Å; N368-G370 PolarHBondContact OD1-N 2.96Å | ||
| 369 | P | 78.8 | Confident | 77 | Confident | 63 Ų | 63 | 61.5 Ų | 61.5 | 41% | 0.409 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -0.5 | 178.4 | 32.4 | -36.7 | 0 | 0 | 0 | 113.9 | F135 M367 D371 M372 V373 | F135-P369 HydrophobicContact CE2-CB 4.36Å; M367-P369 WeakPolarHBondContact O-CD 3.34Å; P369-D371 PolarHBondContact O-N 3.3Å; P369-D371 VanDerWaalsContact O-N 3.13Å; P369-M372 WeakPolarHBondContact O-CB 3.45Å; P369-M372 PolarHBondContact O-N 2.79Å; P369-V373 PolarHBondContact O-N 3.04Å |
| 370 | G | 77.2 | Confident | 77.1 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 28% | 0.278 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -50.7 | -37.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N368 M372 V373 Q374 | N368-G370 PolarHBondContact O-N 3.13Å; N368-G370 PolarHBondContact OD1-N 2.96Å; G370-M372 VanDerWaalsContact C-N 3.31Å; G370-M372 PolarHBondContact O-N 3.35Å; G370-V373 PolarHBondContact O-N 2.94Å; G370-Q374 WeakPolarHBondContact O-CB 3.26Å; G370-Q374 PolarHBondContact O-N 3.39Å |
| 371 | D | 78.3 | Confident | 77 | Confident | 41 Ų | 41 | 61.6 Ų | 61.6 | 22% | 0.219 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 179.9 | -23.6 | -54.5 | 0 | 0 | 0 | 111.7 | R93 R97 P369 V373 Q374 D375 | R93-D371 IonicContact CZ-OD1 2.96Å; R93-D371 IonicContact CZ-OD2 3Å; R93-D371 IonicContact NE-OD2 2.75Å; R93-D371 PolarHBondContact NE-OD2 3.12Å; R93-D371 IonicContact NH1-OD1 2.85Å; R93-D371 PolarHBondContact NH1-OD1 3.32Å; R93-D371 IonicContact NH1-OD2 2.78Å; R93-D371 PolarHBondContact NH1-OD2 3.05Å; R93-D371 IonicContact NH2-OD1 2.98Å; R93-D371 PolarHBondContact NH2-OD1 3.32Å; R93-D371 IonicContact NH2-OD2 3.16Å; R93-D371 PolarHBondContact NH2-OD2 3.04Å; R97-D371 IonicContact CZ-OD2 2.89Å; R97-D371 IonicContact NH1-OD2 2.79Å; R97-D371 PolarHBondContact NH1-OD2 2.82Å; R97-D371 IonicContact NH2-OD2 3.44Å; R97-D371 PolarHBondContact NH2-OD2 3.31Å; P369-D371 PolarHBondContact O-N 3.3Å; P369-D371 VanDerWaalsContact O-N 3.13Å; D371-V373 VanDerWaalsContact C-N 3.32Å; D371-V373 PolarHBondContact O-N 3.46Å; D371-Q374 PolarHBondContact O-N 3.47Å; D371-D375 VanDerWaalsContact O-CB 3.32Å; D371-D375 WeakPolarHBondContact O-CB 3.39Å; D371-D375 PolarHBondContact O-N 3.43Å |
| 372 | M | 79.7 | Confident | 76.1 | Confident | 38 Ų | 38 | 64.3 Ų | 64.3 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | 177.9 | -175.6 | -177.3 | 69.8 | 0 | 0 | 111.1 | F135 Y138 L192 C195 P369 G370 D375 A376 | F135-M372 HydrophobicContact CD2-CE 4.43Å; F135-M372 HydrophobicContact CD2-SD 3.94Å; Y138-M372 HydrophobicContact CD1-CB 3.97Å; Y138-M372 HydrophobicContact CD1-CG 3.84Å; Y138-M372 HydrophobicContact CD1-SD 4.1Å; Y138-M372 HydrophobicContact CD2-CG 4.02Å; Y138-M372 HydrophobicContact CE1-CB 3.58Å; Y138-M372 HydrophobicContact CE1-CG 3.9Å; Y138-M372 HydrophobicContact CE2-CB 4.32Å; Y138-M372 HydrophobicContact CE2-CG 4.06Å; Y138-M372 HydrophobicContact CG-CG 3.92Å; Y138-M372 HydrophobicContact CG-SD 4.16Å; Y138-M372 WeakPolarHBondContact OH-CA 3.21Å; L192-M372 HydrophobicContact CD2-CG 4.29Å; C195-M372 HydrophobicContact CB-SD 4.08Å; P369-M372 WeakPolarHBondContact O-CB 3.45Å; P369-M372 PolarHBondContact O-N 2.79Å; G370-M372 VanDerWaalsContact C-N 3.31Å; G370-M372 PolarHBondContact O-N 3.35Å; M372-D375 PolarHBondContact O-N 2.92Å; M372-A376 WeakPolarHBondContact O-CB 3.37Å; M372-A376 PolarHBondContact O-N 3.02Å |
| 373 | V | 80.8 | Confident | 75.1 | Confident | 78 Ų | 78 | 66.4 Ų | 66.4 | 47% | 0.473 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | 177.7 | 178.5 | 0 | 0 | 0 | 0 | 110.3 | P369 G370 D371 D375 A376 I377 | P369-V373 PolarHBondContact O-N 3.04Å; G370-V373 PolarHBondContact O-N 2.94Å; D371-V373 VanDerWaalsContact C-N 3.32Å; D371-V373 PolarHBondContact O-N 3.46Å; V373-D375 VanDerWaalsContact C-N 3.35Å; V373-A376 PolarHBondContact O-N 3.38Å; V373-I377 HydrophobicContact CG1-CD1 3.9Å; V373-I377 HydrophobicContact CG1-CG1 4.49Å; V373-I377 VanDerWaalsContact O-CG1 3.29Å; V373-I377 WeakPolarHBondContact O-CG1 3.29Å; V373-I377 PolarHBondContact O-N 2.96Å |
| 374 | Q | 79.6 | Confident | 73.9 | Confident | 138 Ų | 138 | 66.4 Ų | 66.4 | 65% | 0.645 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 176.8 | -170.1 | 171.6 | -1.9 | 0 | 0 | 111.5 | G370 D371 I377 H378 | G370-Q374 WeakPolarHBondContact O-CB 3.26Å; G370-Q374 PolarHBondContact O-N 3.39Å; D371-Q374 PolarHBondContact O-N 3.47Å; Q374-I377 PolarHBondContact O-N 2.89Å; Q374-H378 WeakPolarHBondContact O-CB 3.25Å; Q374-H378 PolarHBondContact O-N 3.36Å |
| 375 | D | 75.8 | Confident | 72.7 | Confident | 37 Ų | 37 | 64.2 Ų | 64.2 | 20% | 0.198 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 174.6 | -98.9 | -13.4 | 0 | 0 | 0 | 112.3 | Y138 K188 L192 D371 M372 V373 H378 N379 | Y138-D375 HydrophobicContact CE2-CB 4.34Å; Y138-D375 PolarHBondContact OH-OD2 2.85Å; Y138-D375 VanDerWaalsContact OH-OD2 3.06Å; K188-D375 VanDerWaalsContact CE-CG 3.41Å; K188-D375 WeakPolarHBondContact CE-OD2 3.45Å; K188-D375 IonicContact NZ-OD1 3.21Å; K188-D375 PolarHBondContact NZ-OD1 3.3Å; K188-D375 IonicContact NZ-OD2 2.91Å; K188-D375 PolarHBondContact NZ-OD2 2.9Å; L192-D375 HydrophobicContact CD1-CB 4.48Å; D371-D375 VanDerWaalsContact O-CB 3.32Å; D371-D375 WeakPolarHBondContact O-CB 3.39Å; D371-D375 PolarHBondContact O-N 3.43Å; M372-D375 PolarHBondContact O-N 2.92Å; V373-D375 VanDerWaalsContact C-N 3.35Å; D375-H378 PolarHBondContact O-N 3.33Å; D375-N379 WeakPolarHBondContact O-CB 3Å; D375-N379 PolarHBondContact O-N 3.16Å; D375-N379 PolarHBondContact O-ND2 3.27Å |
| 376 | A | 76.4 | Confident | 71.5 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.6 | -49.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L192 M372 V373 H378 N379 F380 | L192-A376 HydrophobicContact CD2-CB 4.28Å; M372-A376 WeakPolarHBondContact O-CB 3.37Å; M372-A376 PolarHBondContact O-N 3.02Å; V373-A376 PolarHBondContact O-N 3.38Å; A376-H378 VanDerWaalsContact C-N 3.33Å; A376-H378 PolarHBondContact O-N 2.76Å; A376-N379 PolarHBondContact O-N 3.25Å; A376-F380 WeakPolarHBondContact O-CB 3.42Å; A376-F380 VanDerWaalsContact O-CD2 3.25Å; A376-F380 WeakPolarHBondContact O-CD2 3.44Å; A376-F380 PolarHBondContact O-N 2.89Å |
| 377 | I | 80.6 | Confident | 70.5 | Confident | 111 Ų | 111 | 73.7 Ų | 73.7 | 57% | 0.569 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60 | -46.6 | 177.4 | -67.4 | 166.2 | 0 | 0 | 0 | 109.7 | V373 Q374 N379 F380 S381 | V373-I377 HydrophobicContact CG1-CD1 3.9Å; V373-I377 HydrophobicContact CG1-CG1 4.49Å; V373-I377 VanDerWaalsContact O-CG1 3.29Å; V373-I377 WeakPolarHBondContact O-CG1 3.29Å; V373-I377 PolarHBondContact O-N 2.96Å; Q374-I377 PolarHBondContact O-N 2.89Å; I377-N379 PolarHBondContact O-N 2.69Å; I377-F380 PolarHBondContact O-N 3.19Å; I377-S381 WeakPolarHBondContact O-CA 3.47Å; I377-S381 WeakPolarHBondContact O-CB 3.32Å; I377-S381 PolarHBondContact O-N 3.13Å; I377-S381 PolarHBondContact O-OG 2.86Å |
| 378 | H | 77 | Confident | 69.3 | Low | 67 Ų | 67 | 72.4 Ų | 72.4 | 31% | 0.31 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.6 | -47.9 | -179.8 | -178.1 | -97.1 | 0 | 0 | 0 | 112.3 | Q374 D375 A376 S381 Y384 | Q374-H378 WeakPolarHBondContact O-CB 3.25Å; Q374-H378 PolarHBondContact O-N 3.36Å; D375-H378 PolarHBondContact O-N 3.33Å; A376-H378 VanDerWaalsContact C-N 3.33Å; A376-H378 PolarHBondContact O-N 2.76Å; H378-S381 PolarHBondContact O-OG 3.49Å; H378-Y384 AromaticContact CE1-CD2 3.91Å; H378-Y384 AromaticContact CE1-CE1 3.74Å; H378-Y384 AromaticContact CE1-CE2 3.44Å; H378-Y384 VanDerWaalsContact CE1-CE2 3.44Å; H378-Y384 WeakPolarHBondContact CE1-CE2 3.37Å; H378-Y384 AromaticContact CE1-CZ 3.35Å; H378-Y384 AromaticContact NE2-CD2 3.49Å; H378-Y384 WeakPolarHBondContact NE2-CD2 3.34Å; H378-Y384 AromaticContact NE2-CE2 3.17Å; H378-Y384 WeakPolarHBondContact NE2-CE2 3.49Å; H378-Y384 AromaticContact NE2-CZ 3.63Å |
| 379 | N | 71.5 | Confident | 67.8 | Low | 11 Ų | 11 | 74.5 Ų | 74.5 | 6% | 0.059 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -76.5 | -22.3 | -175.7 | -76.4 | -75.1 | 0 | 0 | 0 | 114.7 | K188 Q189 L192 D375 A376 I377 | K188-N379 VanDerWaalsContact CE-ND2 3.29Å; K188-N379 WeakPolarHBondContact CE-ND2 3.3Å; Q189-N379 HydrophobicContact CG-CB 4.18Å; Q189-N379 PolarHBondContact NE2-O 3.33Å; L192-N379 HydrophobicContact CD1-CB 3.97Å; D375-N379 WeakPolarHBondContact O-CB 3Å; D375-N379 PolarHBondContact O-N 3.16Å; D375-N379 PolarHBondContact O-ND2 3.27Å; A376-N379 PolarHBondContact O-N 3.25Å; I377-N379 PolarHBondContact O-N 2.69Å |
| 380 | F | 76.4 | Confident | 66.1 | Low | 110 Ų | 110 | 77.1 Ų | 77.1 | 48% | 0.482 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -105.8 | -6.4 | 176.8 | -67.4 | -69.4 | 0 | 0 | 0 | 113.6 | Q189 L192 Q193 A376 I377 | Q189-F380 HydrophobicContact CB-CZ 4.47Å; L192-F380 HydrophobicContact CB-CE2 3.87Å; L192-F380 HydrophobicContact CB-CZ 4.46Å; Q193-F380 HydrophobicContact CB-CZ 4.47Å; A376-F380 WeakPolarHBondContact O-CB 3.42Å; A376-F380 VanDerWaalsContact O-CD2 3.25Å; A376-F380 WeakPolarHBondContact O-CD2 3.44Å; A376-F380 PolarHBondContact O-N 2.89Å; I377-F380 PolarHBondContact O-N 3.19Å |
| 381 | S | 73.3 | Confident | 64.3 | Low | 34 Ų | 34 | 78.8 Ų | 78.8 | 24% | 0.238 | 40% | 0.403 | C | S | . | . | trans | -69.2 | 132.9 | 179.3 | 65.8 | 0 | 0 | 0 | 0 | 111.9 | I377 H378 A383 Y384 | I377-S381 WeakPolarHBondContact O-CA 3.47Å; I377-S381 WeakPolarHBondContact O-CB 3.32Å; I377-S381 PolarHBondContact O-N 3.13Å; I377-S381 PolarHBondContact O-OG 2.86Å; H378-S381 PolarHBondContact O-OG 3.49Å; S381-A383 VanDerWaalsContact C-N 3.26Å; S381-A383 PolarHBondContact O-N 2.69Å; S381-Y384 PolarHBondContact O-N 3.11Å | ||
| 382 | P | 55.6 | Low | 62.5 | Low | 102 Ų | 102 | 81.5 Ų | 81.5 | 66% | 0.662 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.1 | 178.3 | 21.1 | -28.6 | 0 | 0 | 0 | 113.3 | Y384 Q385 | P382-Y384 PolarHBondContact O-N 2.82Å; P382-Q385 WeakPolarHBondContact O-CB 3.42Å; P382-Q385 PolarHBondContact O-N 3.32Å |
| 383 | A | 55.3 | Low | 60.7 | Low | 54 Ų | 54 | 86.5 Ų | 86.5 | 45% | 0.446 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.7 | -26.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S381 Q386 | S381-A383 VanDerWaalsContact C-N 3.26Å; S381-A383 PolarHBondContact O-N 2.69Å; A383-Q386 WeakPolarHBondContact O-CB 3.17Å; A383-Q386 PolarHBondContact O-N 3.1Å |
| 384 | Y | 53.5 | Low | 58.9 | Low | 57 Ų | 57 | 90.2 Ų | 90.2 | 22% | 0.224 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -77.3 | -23.3 | -179.7 | -162.3 | -115.5 | 0 | 0 | 0 | 113.4 | R185 H378 S381 P382 Q386 Y387 T388 | R185-Y384 VanDerWaalsContact NH2-CZ 3.28Å; R185-Y384 PolarHBondContact NH2-OH 3.02Å; H378-Y384 AromaticContact CE1-CD2 3.91Å; H378-Y384 AromaticContact CE1-CE1 3.74Å; H378-Y384 AromaticContact CE1-CE2 3.44Å; H378-Y384 VanDerWaalsContact CE1-CE2 3.44Å; H378-Y384 WeakPolarHBondContact CE1-CE2 3.37Å; H378-Y384 AromaticContact CE1-CZ 3.35Å; H378-Y384 AromaticContact NE2-CD2 3.49Å; H378-Y384 WeakPolarHBondContact NE2-CD2 3.34Å; H378-Y384 AromaticContact NE2-CE2 3.17Å; H378-Y384 WeakPolarHBondContact NE2-CE2 3.49Å; H378-Y384 AromaticContact NE2-CZ 3.63Å; S381-Y384 PolarHBondContact O-N 3.11Å; P382-Y384 PolarHBondContact O-N 2.82Å; Y384-Q386 PolarHBondContact O-N 3.5Å; Y384-Y387 PolarHBondContact O-N 3.45Å; Y384-T388 PolarHBondContact O-N 3.27Å; Y384-T388 PolarHBondContact O-OG1 3.26Å |
| 385 | Q | 53.1 | Low | 57.2 | Low | 127 Ų | 127 | 92.5 Ų | 92.5 | 59% | 0.593 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.2 | -31.3 | 172.7 | -64.1 | -174.1 | -12.9 | 0 | 0 | 111.1 | P382 T388 Q389 | P382-Q385 WeakPolarHBondContact O-CB 3.42Å; P382-Q385 PolarHBondContact O-N 3.32Å; Q385-T388 PolarHBondContact O-N 3.36Å; Q385-Q389 WeakPolarHBondContact O-CB 3.44Å; Q385-Q389 VanDerWaalsContact O-CG 3.29Å; Q385-Q389 WeakPolarHBondContact O-CG 3.5Å; Q385-Q389 PolarHBondContact O-N 3.2Å |
| 386 | Q | 49.3 | Very low | 55.2 | Low | 126 Ų | 126 | 93.9 Ų | 93.9 | 59% | 0.589 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.3 | -45.9 | 178.8 | -64.5 | 175 | -39.1 | 0 | 0 | 111.8 | A383 Y384 T388 Q389 Q390 | A383-Q386 WeakPolarHBondContact O-CB 3.17Å; A383-Q386 PolarHBondContact O-N 3.1Å; Y384-Q386 PolarHBondContact O-N 3.5Å; Q386-T388 VanDerWaalsContact C-N 3.29Å; Q386-T388 PolarHBondContact O-N 3.28Å; Q386-Q389 PolarHBondContact O-N 3.33Å; Q386-Q390 VanDerWaalsContact O-CB 3.23Å; Q386-Q390 WeakPolarHBondContact O-CB 3.48Å; Q386-Q390 PolarHBondContact O-N 3.49Å |
| 387 | Y | 51.8 | Low | 53.2 | Low | 164 Ų | 164 | 96 Ų | 96 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.2 | -36 | 175.4 | -78 | -80.2 | 0 | 0 | 0 | 113.4 | Y384 S391 | Y384-Y387 PolarHBondContact O-N 3.45Å; Y387-S391 WeakPolarHBondContact O-CB 3.44Å; Y387-S391 PolarHBondContact O-N 3.33Å; Y387-S391 PolarHBondContact O-OG 3.18Å |
| 388 | T | 51 | Low | 51.2 | Low | 32 Ų | 32 | 93.5 Ų | 93.5 | 20% | 0.196 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -75.2 | -37.4 | 179.9 | -24.6 | 0 | 0 | 0 | 0 | 111.9 | R185 Y384 Q385 Q386 S391 T392 | R185-T388 PolarHBondContact NH1-OG1 3.36Å; Y384-T388 PolarHBondContact O-N 3.27Å; Y384-T388 PolarHBondContact O-OG1 3.26Å; Q385-T388 PolarHBondContact O-N 3.36Å; Q386-T388 VanDerWaalsContact C-N 3.29Å; Q386-T388 PolarHBondContact O-N 3.28Å; T388-S391 WeakPolarHBondContact CA-OG 3.29Å; T388-S391 PolarHBondContact O-OG 3.27Å; T388-S391 VanDerWaalsContact O-OG 3.1Å; T388-T392 WeakPolarHBondContact O-CB 3.45Å; T388-T392 PolarHBondContact O-N 3.34Å; T388-T392 PolarHBondContact O-OG1 3.3Å |
| 389 | Q | 48.2 | Very low | 49.3 | Very low | 130 Ų | 130 | 96.6 Ų | 96.6 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.8 | -38.3 | 174.2 | -72.9 | 178.1 | 17.2 | 0 | 0 | 111.3 | Q385 Q386 T392 L393 | Q385-Q389 WeakPolarHBondContact O-CB 3.44Å; Q385-Q389 VanDerWaalsContact O-CG 3.29Å; Q385-Q389 WeakPolarHBondContact O-CG 3.5Å; Q385-Q389 PolarHBondContact O-N 3.2Å; Q386-Q389 PolarHBondContact O-N 3.33Å; Q389-T392 PolarHBondContact O-N 3.21Å; Q389-L393 WeakPolarHBondContact O-CB 3.47Å; Q389-L393 PolarHBondContact O-N 3Å |
| 390 | Q | 43 | Very low | 47.4 | Very low | 117 Ų | 117 | 101.7 Ų | 101.7 | 55% | 0.547 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.2 | -42.1 | -179.4 | -158.2 | 155.4 | -4.7 | 0 | 0 | 112.3 | Q386 T392 L393 E394 | Q386-Q390 VanDerWaalsContact O-CB 3.23Å; Q386-Q390 WeakPolarHBondContact O-CB 3.48Å; Q386-Q390 PolarHBondContact O-N 3.49Å; Q390-T392 VanDerWaalsContact C-N 3.26Å; Q390-T392 PolarHBondContact O-N 2.89Å; Q390-L393 PolarHBondContact O-N 3.24Å; Q390-E394 WeakPolarHBondContact O-CB 3.23Å; Q390-E394 WeakPolarHBondContact O-CG 3.46Å; Q390-E394 PolarHBondContact O-N 2.71Å |
| 391 | S | 39.7 | Very low | 45.5 | Very low | 62 Ų | 62 | 104.7 Ų | 104.7 | 43% | 0.434 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.1 | -25.8 | 171.7 | 52 | 0 | 0 | 0 | 0 | 113.7 | Y387 T388 R395 | Y387-S391 WeakPolarHBondContact O-CB 3.44Å; Y387-S391 PolarHBondContact O-N 3.33Å; Y387-S391 PolarHBondContact O-OG 3.18Å; T388-S391 WeakPolarHBondContact CA-OG 3.29Å; T388-S391 PolarHBondContact O-OG 3.27Å; T388-S391 VanDerWaalsContact O-OG 3.1Å; S391-R395 WeakPolarHBondContact O-CB 3.39Å; S391-R395 PolarHBondContact O-N 2.86Å |
| 392 | T | 41.4 | Very low | 43.8 | Very low | 99 Ų | 99 | 108.7 Ų | 108.7 | 61% | 0.607 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -79 | -35.3 | 172.5 | -47.5 | 0 | 0 | 0 | 0 | 111.2 | T388 Q389 Q390 R395 G396 | T388-T392 WeakPolarHBondContact O-CB 3.45Å; T388-T392 PolarHBondContact O-N 3.34Å; T388-T392 PolarHBondContact O-OG1 3.3Å; Q389-T392 PolarHBondContact O-N 3.21Å; Q390-T392 VanDerWaalsContact C-N 3.26Å; Q390-T392 PolarHBondContact O-N 2.89Å; T392-R395 PolarHBondContact O-N 3.12Å; T392-G396 PolarHBondContact O-N 2.85Å |
| 393 | L | 40.6 | Very low | 42.5 | Very low | 142 Ų | 142 | 115.8 Ų | 115.8 | 74% | 0.743 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.1 | -43 | 176.1 | -134.1 | 90.8 | 0 | 0 | 0 | 112 | Q389 Q390 R395 G396 | Q389-L393 WeakPolarHBondContact O-CB 3.47Å; Q389-L393 PolarHBondContact O-N 3Å; Q390-L393 PolarHBondContact O-N 3.24Å; L393-R395 PolarHBondContact O-N 3.18Å; L393-G396 PolarHBondContact O-N 3.17Å |
| 394 | E | 44 | Very low | 41.3 | Very low | 157 Ų | 157 | 117.9 Ų | 117.9 | 73% | 0.734 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.4 | -24.6 | 177.6 | -74.1 | -174.9 | 152.4 | 0 | 0 | 112.7 | Q390 | Q390-E394 WeakPolarHBondContact O-CB 3.23Å; Q390-E394 WeakPolarHBondContact O-CG 3.46Å; Q390-E394 PolarHBondContact O-N 2.71Å |
| 395 | R | 42.8 | Very low | 40.1 | Very low | 186 Ų | 186 | 124.1 Ų | 124.1 | 70% | 0.702 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -95.1 | -10 | 179.5 | -138.7 | 174.7 | -167.4 | 169.5 | 8.6 | 114.1 | R159 S391 T392 L393 | R159-R395 VanDerWaalsContact NH2-CZ 3.3Å; S391-R395 WeakPolarHBondContact O-CB 3.39Å; S391-R395 PolarHBondContact O-N 2.86Å; T392-R395 PolarHBondContact O-N 3.12Å; L393-R395 PolarHBondContact O-N 3.18Å |
| 396 | G | 35.2 | Very low | 38.9 | Very low | 65 Ų | 65 | 123.4 Ų | 123.4 | 67% | 0.67 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -95.7 | -5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | T392 L393 G398 | T392-G396 PolarHBondContact O-N 2.85Å; L393-G396 PolarHBondContact O-N 3.17Å; G396-G398 PolarHBondContact O-N 3.49Å |
| 397 | G | 34.5 | Very low | 38.1 | Very low | 63 Ų | 63 | 124.5 Ų | 124.5 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | trans | -75.1 | 99.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 398 | G | 38 | Very low | 37 | Very low | 58 Ų | 58 | 124.6 Ų | 124.6 | 60% | 0.598 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 161.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G396 S400 | G396-G398 PolarHBondContact O-N 3.49Å; G398-S400 PolarHBondContact O-N 3.18Å; G398-S400 VanDerWaalsContact O-N 3.17Å |
| 399 | P | 37.1 | Very low | 36 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 121.1 | -167.9 | 24.8 | -32.2 | 0 | 0 | 0 | 111.1 | L401 | P399-L401 PolarHBondContact O-N 3.37Š|
| 400 | S | 32.2 | Very low | 35.1 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -72 | 116.8 | 174 | 41.8 | 0 | 0 | 0 | 0 | 109.8 | G398 S402 | G398-S400 PolarHBondContact O-N 3.18Å; G398-S400 VanDerWaalsContact O-N 3.17Å; S400-S402 PolarHBondContact O-N 3.35Å |
| 401 | L | 35.1 | Very low | 34.7 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 126.4 | 166.7 | -94.1 | 117.7 | 0 | 0 | 0 | 110 | P399 R403 | P399-L401 PolarHBondContact O-N 3.37Å; L401-R403 PolarHBondContact O-N 3.38Å |
| 402 | S | 37.9 | Very low | 34.5 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 127 | 165.9 | -72.4 | 0 | 0 | 0 | 0 | 111.9 | S400 | S400-S402 PolarHBondContact O-N 3.35Š|
| 403 | R | 28.5 | Very low | 34.2 | Very low | 251 Ų | 251 | 135.8 Ų | 135.8 | 95% | 0.947 | 78% | 0.784 | S | S | * | * | trans | -147.2 | 120.9 | 152.9 | -150.2 | 169.6 | -176.1 | 162.5 | 0.6 | 111.3 | L401 | L401-R403 PolarHBondContact O-N 3.38Š| ||
| 404 | S | 29.6 | Very low | 33.9 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | trans | -73.3 | 161.3 | -177.3 | -54.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 405 | H | 29.4 | Very low | 33.6 | Very low | 188 Ų | 188 | 138 Ų | 138 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | 73.5 | 138.3 | 165.2 | -68.8 | -83.4 | 0 | 0 | 0 | 115.8 | ||||
| 406 | S | 28.5 | Very low | 33.4 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | cis | -164.5 | 159.5 | 25.3 | 43.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 407 | N | 31.4 | Very low | 33.5 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -37 | 139.4 | 172.4 | -61.9 | -24.9 | 0 | 0 | 0 | 117.4 | ||||
| 408 | L | 29.6 | Very low | 33.6 | Very low | 167 Ų | 167 | 146 Ų | 146 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | -178.4 | 124.7 | 118.9 | -122.4 | 80.4 | 0 | 0 | 0 | 113.1 | |||||
| 409 | S | 28.6 | Very low | 33.4 | Very low | 109 Ų | 109 | 151.3 Ų | 151.3 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | trans | 51.5 | 126.6 | 138.4 | -159 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 410 | A | 29.6 | Very low | 33.4 | Very low | 93 Ų | 93 | 153 Ų | 153 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | 74.8 | 144.7 | 141.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 411 | R | 34.4 | Very low | 33.6 | Very low | 247 Ų | 247 | 152.9 Ų | 152.9 | 93% | 0.932 | 83% | 0.83 | S | S | * | * | cis | 178.9 | 126.8 | -9.3 | 170.7 | 177.8 | 178.8 | 172.6 | -0.7 | 103.9 | ||||
| 412 | G | 35.7 | Very low | 33.9 | Very low | 66 Ų | 66 | 149.9 Ų | 149.9 | 68% | 0.68 | 82% | 0.823 | S | S | * | * | trans | 100.4 | 98.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 413 | D | 35.4 | Very low | 33.8 | Very low | 159 Ų | 159 | 152.2 Ų | 152.2 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | trans | 177.4 | 49.1 | 143.6 | -91.5 | -14.5 | 0 | 0 | 0 | 111.5 | ||||
| 414 | N | 35.1 | Very low | 34.4 | Very low | 155 Ų | 155 | 148 Ų | 148 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | trans | -103.3 | 14.8 | 179.6 | -92 | 2.8 | 0 | 0 | 0 | 114.6 | ||||
| 415 | E | 37 | Very low | 34.8 | Very low | 190 Ų | 190 | 151.8 Ų | 151.8 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -102.1 | -0.1 | -174.7 | -123.3 | 179 | 138.2 | 0 | 0 | 115.5 | ||
| 416 | K | 37.8 | Very low | 35 | Very low | 204 Ų | 204 | 156 Ų | 156 | 89% | 0.887 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -113.5 | 1 | -177.8 | -69.7 | -174.5 | 178.6 | 174 | 0 | 116 | ||
| 417 | T | 37.9 | Very low | 35.3 | Very low | 129 Ų | 129 | 158.3 Ų | 158.3 | 79% | 0.791 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -108 | 9 | -176.3 | -33.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 418 | L | 36.1 | Very low | 35.6 | Very low | 151 Ų | 151 | 158.7 Ų | 158.7 | 79% | 0.791 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -117.3 | 22.3 | -171.7 | -131.4 | 162.1 | 0 | 0 | 0 | 114.4 | ||
| 419 | L | 33.8 | Very low | 35.9 | Very low | 168 Ų | 168 | 158.3 Ų | 158.3 | 88% | 0.88 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -124.2 | 20.3 | 176.8 | -74.2 | 179.2 | 0 | 0 | 0 | 114.9 | ||
| 420 | L | 37.9 | Very low | 36.3 | Very low | 170 Ų | 170 | 161.2 Ų | 161.2 | 89% | 0.89 | 86% | 0.856 | S | S | * | * | S | Bend | trans | -137.2 | 67.1 | 172.9 | -83.3 | 160.5 | 0 | 0 | 0 | 110 | ||
| 421 | S | 36.4 | Very low | 36.7 | Very low | 115 Ų | 115 | 165.4 Ų | 165.4 | 80% | 0.804 | 86% | 0.862 | S | S | * | * | S | Bend | trans | -152.3 | 23.5 | 165.4 | -165.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 422 | S | 40.6 | Very low | 36.9 | Very low | 108 Ų | 108 | 160 Ų | 160 | 76% | 0.755 | 86% | 0.857 | S | S | * | * | trans | -149.1 | 88.9 | 178.3 | -53.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 423 | D | 36.3 | Very low | 37 | Very low | 168 Ų | 168 | 166.7 Ų | 166.7 | 90% | 0.898 | 87% | 0.87 | S | S | * | * | trans | -172.3 | 36.7 | 150.3 | -87.6 | -16.7 | 0 | 0 | 0 | 110.6 | ||||
| 424 | D | 41.6 | Very low | 37.1 | Very low | 163 Ų | 163 | 167.3 Ų | 167.3 | 87% | 0.872 | 87% | 0.871 | S | S | * | * | trans | -123.5 | 82.2 | 161.2 | -85.2 | -40.5 | 0 | 0 | 0 | 106.9 | ||||
| 425 | E | 37.8 | Very low | 37.3 | Very low | 178 Ų | 178 | 168.3 Ų | 168.3 | 83% | 0.832 | 88% | 0.875 | S | S | * | * | trans | -168.5 | 119.9 | 150.2 | -109.1 | 175.7 | 162.4 | 0 | 0 | 110.5 | ||||
| 426 | F | 33.7 | Very low | 37.3 | Very low | 276 Ų | 276 | 166.4 Ų | 166.4 | 100% | 1.211 | 87% | 0.874 | S | S | * | * | trans | 111.5 | 0 | 167.2 | -69 | -76.4 | 0 | 0 | 0 | 118.8 |
Retrieved 426 of 426 residues in 202.6 ms
(Link to these results)