| 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 | 43.4 | Very low | 47.6 | Very low | 241 Ų | 241 | 146.4 Ų | 146.4 | 100% | 1.187 | 83% | 0.827 | S | S | * | * | 0 | 113.9 | 0 | -67.6 | -165 | 172.1 | 0 | 0 | 108.5 | |||||
| 2 | P | 48 | Very low | 47.1 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | trans | -91.4 | 124.6 | 177.7 | 32.7 | -26.2 | 0 | 0 | 0 | 110.5 | ||||
| 3 | G | 45.6 | Very low | 46.3 | Very low | 84 Ų | 84 | 147 Ų | 147 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | -96.2 | 99.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 4 | F | 45.2 | Very low | 46.4 | Very low | 191 Ų | 191 | 152.1 Ų | 152.1 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -66.9 | 136.2 | 156.8 | -107.4 | -108.2 | 0 | 0 | 0 | 109.2 | ||||
| 5 | F | 52.8 | Low | 46.4 | Very low | 187 Ų | 187 | 148.3 Ų | 148.3 | 82% | 0.82 | 80% | 0.803 | S | S | * | * | trans | -159.5 | 113.3 | 134.3 | -118.8 | -83.7 | 0 | 0 | 0 | 110.4 | ||||
| 6 | S | 47.4 | Very low | 46.1 | Very low | 99 Ų | 99 | 150.8 Ų | 150.8 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | -66.4 | 161.6 | 162.7 | -161.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 7 | K | 48.4 | Very low | 46 | Very low | 165 Ų | 165 | 150.6 Ų | 150.6 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | trans | 148.3 | 131.8 | 162.1 | -83.8 | 167.8 | -176.9 | -173.6 | 0 | 107.5 | ||||
| 8 | D | 44.2 | Very low | 45.9 | Very low | 142 Ų | 142 | 150.1 Ų | 150.1 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | cis | -163.2 | 147 | -8.2 | -88 | -46.4 | 0 | 0 | 0 | 105.3 | ||||
| 9 | L | 42.3 | Very low | 45.5 | Very low | 156 Ų | 156 | 150.5 Ų | 150.5 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -77.9 | 159.4 | 163.1 | -129.3 | 82.2 | 0 | 0 | 0 | 109.1 | ||||
| 10 | P | 55.8 | Low | 45 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | -145 | 158.5 | 99.7 | 34.2 | -17.2 | 0 | 0 | 0 | 116 | |||||
| 11 | A | 50.6 | Low | 44.6 | Very low | 89 Ų | 89 | 143 Ų | 143 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -68.8 | 150 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 12 | N | 41.5 | Very low | 44.7 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -157.3 | 148.3 | 135.9 | -151.5 | -0.4 | 0 | 0 | 0 | 112.7 | ||||
| 13 | M | 37.3 | Very low | 44.4 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | trans | -127 | 133.9 | -163.4 | 171.8 | 169.1 | -179.4 | 0 | 0 | 107.5 | V15 | M13-V15 HydrophobicContact CE-CG2 3.74Å; M13-V15 HydrophobicContact CG-CG2 3.99Å | ||
| 14 | R | 46.7 | Very low | 44.4 | Very low | 218 Ų | 218 | 143 Ų | 143 | 82% | 0.823 | 78% | 0.781 | S | S | * | * | trans | -154.9 | 108.4 | 154.5 | -70.9 | -167.2 | -155.8 | 150 | 5.8 | 104.9 | ||||
| 15 | V | 46.5 | Very low | 44.5 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 58% | 0.582 | 78% | 0.78 | S | S | * | * | 45.4 | 94.8 | 59.3 | -168.1 | 0 | 0 | 0 | 0 | 112 | M13 | M13-V15 HydrophobicContact CE-CG2 3.74Å; M13-V15 HydrophobicContact CG-CG2 3.99Å | |||
| 16 | H | 42 | Very low | 44.3 | Very low | 187 Ų | 187 | 144.8 Ų | 144.8 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | -140.1 | 113.3 | 141.6 | -94.8 | -83.6 | 0 | 0 | 0 | 107.8 | ||||
| 17 | E | 44.7 | Very low | 44.2 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | trans | -101.2 | 167.6 | 177 | -162.2 | -176.6 | 111.7 | 0 | 0 | 109.3 | ||||
| 18 | L | 44.8 | Very low | 43.9 | Very low | 140 Ų | 140 | 148.7 Ų | 148.7 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | 78 | 133.7 | 163.9 | -50.4 | 170.8 | 0 | 0 | 0 | 113.8 | ||||
| 19 | N | 37.9 | Very low | 44.4 | Very low | 159 Ų | 159 | 151.9 Ų | 151.9 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | cis | -176.3 | 170.4 | 26.7 | -156.3 | -14.8 | 0 | 0 | 0 | 109.1 | ||||
| 20 | G | 34.8 | Very low | 44.4 | Very low | 67 Ų | 67 | 150.9 Ų | 150.9 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | 117.4 | 78.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 21 | G | 37.2 | Very low | 43.7 | Very low | 75 Ų | 75 | 156.2 Ų | 156.2 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -67.2 | 163.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 22 | R | 45.1 | Very low | 43.5 | Very low | 250 Ų | 250 | 156.3 Ų | 156.3 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | trans | -157.7 | 124.2 | 144.8 | -136 | 174.9 | -95.2 | -169.4 | -6.3 | 111.3 | ||||
| 23 | A | 41.2 | Very low | 44.1 | Very low | 97 Ų | 97 | 155.1 Ų | 155.1 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -59.2 | 149.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 24 | A | 46.4 | Very low | 44.3 | Very low | 109 Ų | 109 | 151.4 Ų | 151.4 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -147.1 | 90.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 25 | Q | 47.3 | Very low | 43.9 | Very low | 171 Ų | 171 | 149.6 Ų | 149.6 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | trans | -93.6 | 119.7 | 166.9 | -179.5 | 159.7 | -38.8 | 0 | 0 | 108.5 | ||||
| 26 | R | 49.3 | Very low | 43.7 | Very low | 243 Ų | 243 | 156.1 Ų | 156.1 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | -152.3 | 101.3 | 157.7 | -67.3 | -167.7 | -160.9 | -144.8 | 3 | 106.6 | ||||
| 27 | R | 44.7 | Very low | 43.6 | Very low | 206 Ų | 206 | 154.9 Ų | 154.9 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | 44.6 | 110.9 | 72.6 | -101 | -159 | -168.7 | -169.6 | 5.2 | 115.2 | |||||
| 28 | M | 42.4 | Very low | 43.4 | Very low | 140 Ų | 140 | 154 Ų | 154 | 69% | 0.69 | 81% | 0.809 | S | S | * | * | trans | 69 | 115.8 | 139.7 | -62 | -169.9 | 177.6 | 0 | 0 | 119.7 | ||||
| 29 | K | 53.4 | Low | 43.3 | Very low | 209 Ų | 209 | 155.1 Ų | 155.1 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -143.4 | 108.9 | 132.7 | -152.4 | 93.7 | 178.6 | -168.5 | 0 | 110 | ||||
| 30 | N | 42.1 | Very low | 43.7 | Very low | 136 Ų | 136 | 153.2 Ų | 153.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -55.8 | 161.5 | 164.2 | -63.7 | -31.5 | 0 | 0 | 0 | 111.1 | ||||
| 31 | R | 42.9 | Very low | 44 | Very low | 238 Ų | 238 | 155.8 Ų | 155.8 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | 162.4 | 113.9 | 108.7 | -163.5 | 165 | -157.9 | 164.4 | 3 | 111.6 | |||||
| 32 | A | 44.8 | Very low | 44 | Very low | 92 Ų | 92 | 155.5 Ų | 155.5 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -75.7 | 153.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 33 | P | 54.9 | Low | 43.5 | Very low | 128 Ų | 128 | 153 Ų | 153 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | -139.4 | 162.4 | 119.1 | 35.8 | -21.6 | 0 | 0 | 0 | 109.6 | |||||
| 34 | G | 41.4 | Very low | 43.4 | Very low | 70 Ų | 70 | 153.3 Ų | 153.3 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | cis | 154.5 | 125.7 | 17.8 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 35 | H | 37.8 | Very low | 43 | Very low | 179 Ų | 179 | 156.7 Ų | 156.7 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | trans | -47.6 | 137 | 174.3 | -128.6 | -107.8 | 0 | 0 | 0 | 111.5 | ||||
| 36 | R | 42.8 | Very low | 42.6 | Very low | 234 Ų | 234 | 153.8 Ų | 153.8 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -126 | 101.9 | 159 | -154.7 | 179.1 | -139.7 | 163.6 | 4.5 | 109.2 | ||||
| 37 | E | 38.9 | Very low | 42.2 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -74.9 | 128.1 | 168.7 | -155.7 | 163.3 | 134.2 | 0 | 0 | 108.2 | ||||
| 38 | T | 41.5 | Very low | 42.3 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -148.5 | 99.9 | 165 | 3.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 39 | Q | 42.9 | Very low | 42.2 | Very low | 163 Ų | 163 | 143 Ų | 143 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -98.7 | 143.2 | 158.2 | -169.1 | 171.5 | 4 | 0 | 0 | 106.8 | ||||
| 40 | P | 46.4 | Very low | 41.9 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | -135.8 | 145.6 | 120.3 | 28.8 | -12.9 | 0 | 0 | 0 | 113.3 | |||||
| 41 | T | 40.8 | Very low | 42.4 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -51.7 | 155.4 | 161.5 | 46.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 42 | G | 37.2 | Very low | 42.9 | Very low | 68 Ų | 68 | 131.8 Ų | 131.8 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | 130.5 | 104.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 43 | F | 34.2 | Very low | 43.3 | Very low | 199 Ų | 199 | 129.3 Ų | 129.3 | 87% | 0.873 | 76% | 0.755 | S | S | * | * | 100.1 | 104.7 | 87.4 | -129.9 | -102.9 | 0 | 0 | 0 | 110.4 | |||||
| 44 | T | 39.1 | Very low | 43.3 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 63% | 0.626 | 75% | 0.753 | S | S | * | * | 50.7 | 111.1 | 129.9 | -33.7 | 0 | 0 | 0 | 0 | 118 | |||||
| 45 | H | 38.6 | Very low | 44 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 83% | 0.833 | 75% | 0.745 | S | S | * | * | -172.1 | 154.5 | 108.1 | -133.5 | -112.3 | 0 | 0 | 0 | 114.3 | |||||
| 46 | C | 39.8 | Very low | 45.1 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 75% | 0.75 | 73% | 0.732 | S | S | * | * | trans | -56.1 | 149.2 | 178.2 | -163.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 47 | G | 39.4 | Very low | 45.8 | Very low | 72 Ų | 72 | 122.2 Ų | 122.2 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | trans | -178.8 | 84.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 48 | T | 46.5 | Very low | 47 | Very low | 131 Ų | 131 | 120.6 Ų | 120.6 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | trans | -36.9 | 125.7 | 162.8 | -45.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 49 | L | 40.6 | Very low | 48 | Very low | 160 Ų | 160 | 120.5 Ų | 120.5 | 84% | 0.838 | 70% | 0.696 | S | S | * | * | trans | -161.1 | 120.5 | 158 | -133.8 | 74.9 | 0 | 0 | 0 | 115.4 | ||||
| 50 | H | 46.8 | Very low | 49 | Very low | 170 Ų | 170 | 116.1 Ų | 116.1 | 79% | 0.787 | 68% | 0.677 | S | S | * | * | trans | 66.7 | 105.2 | 143.8 | -98 | -168.3 | 0 | 0 | 0 | 122.4 | G52 | H50-G52 PolarHBondContact O-N 3.46Š| ||
| 51 | S | 53.3 | Low | 49.7 | Very low | 130 Ų | 130 | 117.8 Ų | 117.8 | 91% | 0.909 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 21.3 | 165.1 | -156.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 52 | G | 53.9 | Low | 50.6 | Low | 47 Ų | 47 | 115.7 Ų | 115.7 | 49% | 0.485 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.5 | -21.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | H50 | H50-G52 PolarHBondContact O-N 3.46Š|
| 53 | G | 52.7 | Low | 51.7 | Low | 40 Ų | 40 | 117.6 Ų | 117.6 | 41% | 0.412 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -79.6 | -24.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | C55 L57 | G53-C55 PolarHBondContact O-N 3.47Å; G53-L57 WeakPolarHBondContact O-CG 3.19Å; G53-L57 PolarHBondContact O-N 3.39Å |
| 54 | F | 54.8 | Low | 52.8 | Low | 181 Ų | 181 | 115 Ų | 115 | 79% | 0.794 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.8 | -37.1 | -178.5 | -105 | -94.5 | 0 | 0 | 0 | 112.4 | F58 | F54-F58 WeakPolarHBondContact O-CB 3.2Å; F54-F58 PolarHBondContact O-N 3.41Å |
| 55 | C | 56.5 | Low | 53.8 | Low | 80 Ų | 80 | 113.1 Ų | 113.1 | 54% | 0.541 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.7 | -43.1 | -177 | -157.3 | 0 | 0 | 0 | 0 | 111.9 | G53 F58 F59 | G53-C55 PolarHBondContact O-N 3.47Å; C55-F58 PolarHBondContact O-N 3.45Å; C55-F59 WeakPolarHBondContact O-CD2 3.24Å; C55-F59 PolarHBondContact O-N 3.32Å |
| 56 | V | 60.6 | Low | 54.8 | Low | 92 Ų | 92 | 109.1 Ų | 109.1 | 56% | 0.558 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.4 | -41.5 | -179.5 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | F59 I60 | V56-F59 PolarHBondContact O-N 2.79Å; V56-I60 HydrophobicContact CG1-CD1 4.15Å; V56-I60 WeakPolarHBondContact O-CG1 3.36Å; V56-I60 PolarHBondContact O-N 3.17Å |
| 57 | L | 58.5 | Low | 55.8 | Low | 108 Ų | 108 | 108.5 Ų | 108.5 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.6 | -37.8 | 175.7 | -69 | 174.2 | 0 | 0 | 0 | 111.6 | G53 I60 F61 | G53-L57 WeakPolarHBondContact O-CG 3.19Å; G53-L57 PolarHBondContact O-N 3.39Å; L57-I60 PolarHBondContact O-N 3.01Å; L57-F61 WeakPolarHBondContact O-CB 3.44Å; L57-F61 WeakPolarHBondContact O-CD2 3.41Å; L57-F61 PolarHBondContact O-N 2.84Å |
| 58 | F | 62.8 | Low | 56.8 | Low | 128 Ų | 128 | 112.6 Ų | 112.6 | 56% | 0.561 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.5 | -42.6 | 175.1 | -162.1 | -104.9 | 0 | 0 | 0 | 111.8 | F54 C55 I60 F61 L62 | F54-F58 WeakPolarHBondContact O-CB 3.2Å; F54-F58 PolarHBondContact O-N 3.41Å; C55-F58 PolarHBondContact O-N 3.45Å; F58-I60 PolarHBondContact O-N 3.41Å; F58-F61 PolarHBondContact O-N 2.72Å; F58-L62 HydrophobicContact CD1-CD1 3.57Å; F58-L62 HydrophobicContact CD1-CG 4.13Å; F58-L62 HydrophobicContact CE1-CD1 3.59Å; F58-L62 HydrophobicContact CE1-CD2 4.39Å; F58-L62 HydrophobicContact CE1-CG 4.12Å; F58-L62 WeakPolarHBondContact O-CB 3.38Å; F58-L62 VanDerWaalsContact O-CG 3.26Å; F58-L62 WeakPolarHBondContact O-CG 3.16Å; F58-L62 PolarHBondContact O-N 2.78Å |
| 59 | F | 62.5 | Low | 57.5 | Low | 129 Ų | 129 | 109.4 Ų | 109.4 | 57% | 0.566 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.2 | -40 | 173.8 | -95.8 | -82.4 | 0 | 0 | 0 | 113.1 | C55 V56 L62 L63 | C55-F59 WeakPolarHBondContact O-CD2 3.24Å; C55-F59 PolarHBondContact O-N 3.32Å; V56-F59 PolarHBondContact O-N 2.79Å; F59-L62 PolarHBondContact O-N 2.79Å; F59-L63 WeakPolarHBondContact O-CB 3.39Å; F59-L63 WeakPolarHBondContact O-CD1 3.48Å; F59-L63 VanDerWaalsContact O-CG 3.31Å; F59-L63 WeakPolarHBondContact O-CG 3.44Å; F59-L63 PolarHBondContact O-N 2.66Å |
| 60 | I | 63.8 | Low | 58.7 | Low | 71 Ų | 71 | 107.6 Ų | 107.6 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.5 | -38.4 | 174.8 | -68.5 | 168.4 | 0 | 0 | 0 | 111.1 | V56 L57 F58 K64 | V56-I60 HydrophobicContact CG1-CD1 4.15Å; V56-I60 WeakPolarHBondContact O-CG1 3.36Å; V56-I60 PolarHBondContact O-N 3.17Å; L57-I60 PolarHBondContact O-N 3.01Å; F58-I60 PolarHBondContact O-N 3.41Å; I60-K64 HydrophobicContact CG2-CD 4.21Å; I60-K64 WeakPolarHBondContact O-CB 3.37Å; I60-K64 WeakPolarHBondContact O-CG 2.97Å; I60-K64 PolarHBondContact O-N 3.07Å |
| 61 | F | 61.8 | Low | 59.8 | Low | 152 Ų | 152 | 107.5 Ų | 107.5 | 67% | 0.667 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.5 | -40.7 | 173.8 | -100.1 | -88.5 | 0 | 0 | 0 | 111.8 | L57 F58 K64 A65 | L57-F61 WeakPolarHBondContact O-CB 3.44Å; L57-F61 WeakPolarHBondContact O-CD2 3.41Å; L57-F61 PolarHBondContact O-N 2.84Å; F58-F61 PolarHBondContact O-N 2.72Å; F61-K64 PolarHBondContact O-N 3.17Å; F61-A65 WeakPolarHBondContact O-CB 3.32Å; F61-A65 PolarHBondContact O-N 3.17Å |
| 62 | L | 60 | Low | 60.9 | Low | 79 Ų | 79 | 103.2 Ų | 103.2 | 41% | 0.414 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 175.2 | -71.8 | 172.2 | 0 | 0 | 0 | 112 | F58 F59 K64 A65 V66 | F58-L62 HydrophobicContact CD1-CD1 3.57Å; F58-L62 HydrophobicContact CD1-CG 4.13Å; F58-L62 HydrophobicContact CE1-CD1 3.59Å; F58-L62 HydrophobicContact CE1-CD2 4.39Å; F58-L62 HydrophobicContact CE1-CG 4.12Å; F58-L62 WeakPolarHBondContact O-CB 3.38Å; F58-L62 VanDerWaalsContact O-CG 3.26Å; F58-L62 WeakPolarHBondContact O-CG 3.16Å; F58-L62 PolarHBondContact O-N 2.78Å; F59-L62 PolarHBondContact O-N 2.79Å; L62-K64 VanDerWaalsContact C-N 3.34Å; L62-K64 PolarHBondContact O-N 3.09Å; L62-A65 PolarHBondContact O-N 3.25Å; L62-V66 WeakPolarHBondContact O-CB 3.4Å; L62-V66 VanDerWaalsContact O-CG2 3.28Å; L62-V66 WeakPolarHBondContact O-CG2 3.16Å; L62-V66 PolarHBondContact O-N 2.96Å |
| 63 | L | 59.4 | Low | 62.1 | Low | 107 Ų | 107 | 106.6 Ų | 106.6 | 56% | 0.56 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.5 | -41.1 | 175 | -76.6 | 161.9 | 0 | 0 | 0 | 111.8 | F59 M67 | F59-L63 WeakPolarHBondContact O-CB 3.39Å; F59-L63 WeakPolarHBondContact O-CD1 3.48Å; F59-L63 VanDerWaalsContact O-CG 3.31Å; F59-L63 WeakPolarHBondContact O-CG 3.44Å; F59-L63 PolarHBondContact O-N 2.66Å; L63-M67 WeakPolarHBondContact O-CB 3.36Å; L63-M67 WeakPolarHBondContact O-CG 3.49Å; L63-M67 PolarHBondContact O-N 3.44Å; L63-M67 VanDerWaalsContact O-N 3.08Å |
| 64 | K | 57.7 | Low | 63.5 | Low | 144 Ų | 144 | 110.6 Ų | 110.6 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.6 | -38.8 | 174.1 | -76.6 | 176.4 | 175.7 | 148.6 | 0 | 112.4 | I60 F61 L62 V66 F68 | I60-K64 HydrophobicContact CG2-CD 4.21Å; I60-K64 WeakPolarHBondContact O-CB 3.37Å; I60-K64 WeakPolarHBondContact O-CG 2.97Å; I60-K64 PolarHBondContact O-N 3.07Å; F61-K64 PolarHBondContact O-N 3.17Å; L62-K64 VanDerWaalsContact C-N 3.34Å; L62-K64 PolarHBondContact O-N 3.09Å; K64-V66 VanDerWaalsContact C-N 3.34Å; K64-V66 PolarHBondContact O-N 2.99Å; K64-F68 VanDerWaalsContact O-CB 3.22Å; K64-F68 WeakPolarHBondContact O-CB 3.45Å; K64-F68 PolarHBondContact O-N 2.78Å |
| 65 | A | 59.3 | Low | 64.9 | Low | 64 Ų | 64 | 105.5 Ų | 105.5 | 53% | 0.529 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.8 | -31.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F61 L62 P69 | F61-A65 WeakPolarHBondContact O-CB 3.32Å; F61-A65 PolarHBondContact O-N 3.17Å; L62-A65 PolarHBondContact O-N 3.25Å; A65-P69 WeakPolarHBondContact O-CD 3.39Å |
| 66 | V | 60.2 | Low | 66.4 | Low | 96 Ų | 96 | 106.4 Ų | 106.4 | 58% | 0.582 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -85.8 | -31.7 | 178.1 | 178.2 | 0 | 0 | 0 | 0 | 112.3 | L62 K64 P69 L70 | L62-V66 WeakPolarHBondContact O-CB 3.4Å; L62-V66 VanDerWaalsContact O-CG2 3.28Å; L62-V66 WeakPolarHBondContact O-CG2 3.16Å; L62-V66 PolarHBondContact O-N 2.96Å; K64-V66 VanDerWaalsContact C-N 3.34Å; K64-V66 PolarHBondContact O-N 2.99Å; V66-P69 WeakPolarHBondContact O-CD 3.16Å; V66-P69 WeakPolarHBondContact O-CG 3.25Å; V66-L70 WeakPolarHBondContact O-CD1 3.43Å |
| 67 | M | 60.4 | Low | 67.7 | Low | 97 Ų | 97 | 109.9 Ų | 109.9 | 48% | 0.478 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -82.2 | -21.6 | 177.2 | -72.7 | 179.1 | 66.7 | 0 | 0 | 114.6 | L63 R71 | L63-M67 WeakPolarHBondContact O-CB 3.36Å; L63-M67 WeakPolarHBondContact O-CG 3.49Å; L63-M67 PolarHBondContact O-N 3.44Å; L63-M67 VanDerWaalsContact O-N 3.08Å; M67-R71 PolarHBondContact O-N 3.48Å |
| 68 | F | 59.8 | Low | 69.1 | Low | 159 Ų | 159 | 108.5 Ų | 108.5 | 70% | 0.697 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.8 | -43.9 | 177.6 | -165.5 | -100.9 | 0 | 0 | 0 | 114.5 | K64 L70 R71 A72 | K64-F68 VanDerWaalsContact O-CB 3.22Å; K64-F68 WeakPolarHBondContact O-CB 3.45Å; K64-F68 PolarHBondContact O-N 2.78Å; F68-L70 PolarHBondContact O-N 2.89Å; F68-R71 PolarHBondContact O-N 3.41Å; F68-A72 PolarHBondContact O-N 3.02Å |
| 69 | P | 61.5 | Low | 70.2 | Confident | 63 Ų | 63 | 109 Ų | 109 | 41% | 0.409 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.4 | -35.6 | 177.6 | 24.6 | -34.2 | 0 | 0 | 0 | 112.4 | A65 V66 R71 A72 L73 | A65-P69 WeakPolarHBondContact O-CD 3.39Å; V66-P69 WeakPolarHBondContact O-CD 3.16Å; V66-P69 WeakPolarHBondContact O-CG 3.25Å; P69-R71 VanDerWaalsContact C-N 3.35Å; P69-R71 PolarHBondContact O-N 2.86Å; P69-A72 PolarHBondContact O-N 3.1Å; P69-L73 WeakPolarHBondContact O-CB 3.48Å; P69-L73 VanDerWaalsContact O-CG 3.22Å; P69-L73 WeakPolarHBondContact O-CG 3.02Å; P69-L73 PolarHBondContact O-N 3.22Å |
| 70 | L | 65.8 | Low | 71.4 | Confident | 122 Ų | 122 | 107.5 Ų | 107.5 | 64% | 0.639 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.3 | -38.3 | 175.2 | -86.9 | 98 | 0 | 0 | 0 | 112.4 | V66 F68 F74 | V66-L70 WeakPolarHBondContact O-CD1 3.43Å; F68-L70 PolarHBondContact O-N 2.89Å; L70-F74 WeakPolarHBondContact O-CB 3.36Å; L70-F74 PolarHBondContact O-N 3.09Å |
| 71 | R | 70.4 | Confident | 72.6 | Confident | 168 Ų | 168 | 107.2 Ų | 107.2 | 63% | 0.634 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.7 | -36.6 | 175.9 | -75.9 | -169.4 | 166.2 | 127 | -0.8 | 112.7 | M67 F68 P69 S75 | M67-R71 PolarHBondContact O-N 3.48Å; F68-R71 PolarHBondContact O-N 3.41Å; P69-R71 VanDerWaalsContact C-N 3.35Å; P69-R71 PolarHBondContact O-N 2.86Å; R71-S75 WeakPolarHBondContact O-CB 3.5Å; R71-S75 PolarHBondContact O-N 3.12Å; R71-S75 PolarHBondContact O-OG 3Å |
| 72 | A | 75.8 | Confident | 73.6 | Confident | 41 Ų | 41 | 104.1 Ų | 104.1 | 34% | 0.339 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.5 | -46 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F68 P69 F74 S75 I76 | F68-A72 PolarHBondContact O-N 3.02Å; P69-A72 PolarHBondContact O-N 3.1Å; A72-F74 PolarHBondContact O-N 3.32Å; A72-S75 PolarHBondContact O-N 3.4Å; A72-I76 WeakPolarHBondContact O-CD1 3.4Å; A72-I76 VanDerWaalsContact O-CG1 3.26Å; A72-I76 WeakPolarHBondContact O-CG1 3.42Å; A72-I76 PolarHBondContact O-N 3.44Å |
| 73 | L | 80.3 | Confident | 74.7 | Confident | 117 Ų | 117 | 104.5 Ų | 104.5 | 61% | 0.613 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 176.7 | -68.9 | 173 | 0 | 0 | 0 | 112.1 | P69 I76 W77 | P69-L73 WeakPolarHBondContact O-CB 3.48Å; P69-L73 VanDerWaalsContact O-CG 3.22Å; P69-L73 WeakPolarHBondContact O-CG 3.02Å; P69-L73 PolarHBondContact O-N 3.22Å; L73-I76 PolarHBondContact O-N 3.11Å; L73-W77 VanDerWaalsContact O-CB 3.26Å; L73-W77 WeakPolarHBondContact O-CB 3.35Å; L73-W77 PolarHBondContact O-N 2.99Å |
| 74 | F | 82.4 | Confident | 75.8 | Confident | 125 Ų | 125 | 106.4 Ų | 106.4 | 55% | 0.548 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 175 | -171.6 | -100 | 0 | 0 | 0 | 112.3 | L70 A72 W77 L78 | L70-F74 WeakPolarHBondContact O-CB 3.36Å; L70-F74 PolarHBondContact O-N 3.09Å; A72-F74 PolarHBondContact O-N 3.32Å; F74-W77 HydrophobicContact CE2-CE3 4.44Å; F74-W77 PolarHBondContact O-N 3.3Å; F74-L78 VanDerWaalsContact O-CB 3.29Å; F74-L78 WeakPolarHBondContact O-CB 3.11Å; F74-L78 PolarHBondContact O-N 3.13Å |
| 75 | S | 82.4 | Confident | 76.8 | Confident | 73 Ų | 73 | 103.8 Ų | 103.8 | 51% | 0.51 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 177 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | R71 A72 F79 | R71-S75 WeakPolarHBondContact O-CB 3.5Å; R71-S75 PolarHBondContact O-N 3.12Å; R71-S75 PolarHBondContact O-OG 3Å; A72-S75 PolarHBondContact O-N 3.4Å; S75-F79 WeakPolarHBondContact O-CB 3.24Å; S75-F79 PolarHBondContact O-N 3.38Å |
| 76 | I | 87.9 | Confident | 77.5 | Confident | 100 Ų | 100 | 109.8 Ų | 109.8 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 174.7 | -67.8 | 162.7 | 0 | 0 | 0 | 110.3 | A72 L73 L78 F79 L80 | A72-I76 WeakPolarHBondContact O-CD1 3.4Å; A72-I76 VanDerWaalsContact O-CG1 3.26Å; A72-I76 WeakPolarHBondContact O-CG1 3.42Å; A72-I76 PolarHBondContact O-N 3.44Å; L73-I76 PolarHBondContact O-N 3.11Å; I76-L78 PolarHBondContact O-N 3.34Å; I76-F79 WeakPolarHBondContact O-CB 3.16Å; I76-F79 PolarHBondContact O-N 3.35Å; I76-L80 HydrophobicContact CG2-CD1 4.13Å; I76-L80 HydrophobicContact CG2-CG 4.48Å; I76-L80 WeakPolarHBondContact O-CG 3.04Å; I76-L80 PolarHBondContact O-N 3.33Å |
| 77 | W | 88.6 | Confident | 77.9 | Confident | 164 Ų | 164 | 110.2 Ų | 110.2 | 62% | 0.621 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.7 | -44.6 | 177.6 | -171.9 | 79.1 | 0 | 0 | 0 | 111.9 | L73 F74 F79 L80 V81 | L73-W77 VanDerWaalsContact O-CB 3.26Å; L73-W77 WeakPolarHBondContact O-CB 3.35Å; L73-W77 PolarHBondContact O-N 2.99Å; F74-W77 HydrophobicContact CE2-CE3 4.44Å; F74-W77 PolarHBondContact O-N 3.3Å; W77-F79 VanDerWaalsContact C-N 3.33Å; W77-F79 PolarHBondContact O-N 3.03Å; W77-L80 PolarHBondContact O-N 3.46Å; W77-V81 HydrophobicContact CD2-CG2 4.26Å; W77-V81 HydrophobicContact CE3-CG2 4.43Å; W77-V81 HydrophobicContact CH2-CG2 4.49Å; W77-V81 HydrophobicContact CZ2-CG2 4.31Å; W77-V81 VanDerWaalsContact O-CG2 3.32Å; W77-V81 WeakPolarHBondContact O-CG2 3.39Å; W77-V81 PolarHBondContact O-N 3.13Å |
| 78 | L | 87.5 | Confident | 78 | Confident | 79 Ų | 79 | 111.5 Ų | 111.5 | 41% | 0.414 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 174.5 | -175.5 | 64.6 | 0 | 0 | 0 | 111.7 | F74 I76 V81 L82 | F74-L78 VanDerWaalsContact O-CB 3.29Å; F74-L78 WeakPolarHBondContact O-CB 3.11Å; F74-L78 PolarHBondContact O-N 3.13Å; I76-L78 PolarHBondContact O-N 3.34Å; L78-V81 PolarHBondContact O-N 3.12Å; L78-L82 HydrophobicContact CG-CD1 4.18Å; L78-L82 WeakPolarHBondContact O-CB 3.48Å; L78-L82 VanDerWaalsContact O-CG 3.26Å; L78-L82 WeakPolarHBondContact O-CG 3.49Å; L78-L82 PolarHBondContact O-N 3.21Å |
| 79 | F | 86.3 | Confident | 77.9 | Confident | 140 Ų | 140 | 113.2 Ų | 113.2 | 61% | 0.614 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.6 | -41.5 | 176.2 | -168.6 | -93.2 | 0 | 0 | 0 | 112.1 | S75 I76 W77 L82 L83 | S75-F79 WeakPolarHBondContact O-CB 3.24Å; S75-F79 PolarHBondContact O-N 3.38Å; I76-F79 WeakPolarHBondContact O-CB 3.16Å; I76-F79 PolarHBondContact O-N 3.35Å; W77-F79 VanDerWaalsContact C-N 3.33Å; W77-F79 PolarHBondContact O-N 3.03Å; F79-L82 PolarHBondContact O-N 3.25Å; F79-L83 WeakPolarHBondContact O-CB 3.35Å; F79-L83 PolarHBondContact O-N 3.01Å |
| 80 | L | 87.6 | Confident | 77.6 | Confident | 96 Ų | 96 | 114.2 Ų | 114.2 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.4 | -39.3 | 175.2 | -69.7 | 172.8 | 0 | 0 | 0 | 112.3 | I76 W77 L83 K84 | I76-L80 HydrophobicContact CG2-CD1 4.13Å; I76-L80 HydrophobicContact CG2-CG 4.48Å; I76-L80 WeakPolarHBondContact O-CG 3.04Å; I76-L80 PolarHBondContact O-N 3.33Å; W77-L80 PolarHBondContact O-N 3.46Å; L80-L83 PolarHBondContact O-N 2.61Å; L80-K84 WeakPolarHBondContact O-CB 3.45Å; L80-K84 PolarHBondContact O-N 2.85Å |
| 81 | V | 89.3 | Confident | 76.9 | Confident | 65 Ų | 65 | 113 Ų | 113 | 39% | 0.394 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.4 | -43.4 | 173.9 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | W77 L78 K84 L85 | W77-V81 HydrophobicContact CD2-CG2 4.26Å; W77-V81 HydrophobicContact CE3-CG2 4.43Å; W77-V81 HydrophobicContact CH2-CG2 4.49Å; W77-V81 HydrophobicContact CZ2-CG2 4.31Å; W77-V81 VanDerWaalsContact O-CG2 3.32Å; W77-V81 WeakPolarHBondContact O-CG2 3.39Å; W77-V81 PolarHBondContact O-N 3.13Å; L78-V81 PolarHBondContact O-N 3.12Å; V81-K84 PolarHBondContact O-N 3.41Å; V81-L85 WeakPolarHBondContact O-CB 3.08Å; V81-L85 PolarHBondContact O-N 2.82Å |
| 82 | L | 83.5 | Confident | 75.7 | Confident | 88 Ų | 88 | 108 Ų | 108 | 46% | 0.461 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.3 | -39.5 | 175.4 | -72.3 | 169.7 | 0 | 0 | 0 | 111.8 | L78 F79 L85 R86 | L78-L82 HydrophobicContact CG-CD1 4.18Å; L78-L82 WeakPolarHBondContact O-CB 3.48Å; L78-L82 VanDerWaalsContact O-CG 3.26Å; L78-L82 WeakPolarHBondContact O-CG 3.49Å; L78-L82 PolarHBondContact O-N 3.21Å; F79-L82 PolarHBondContact O-N 3.25Å; L82-L85 PolarHBondContact O-N 2.85Å; L82-R86 WeakPolarHBondContact O-CG 3.4Å; L82-R86 PolarHBondContact O-N 3.26Å |
| 83 | L | 82.4 | Confident | 74.3 | Confident | 86 Ų | 86 | 110.7 Ų | 110.7 | 45% | 0.45 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.7 | -45 | 176.1 | -171.1 | 67 | 0 | 0 | 0 | 111.5 | F79 L80 L85 R86 L87 | F79-L83 WeakPolarHBondContact O-CB 3.35Å; F79-L83 PolarHBondContact O-N 3.01Å; L80-L83 PolarHBondContact O-N 2.61Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 3.22Å; L83-R86 PolarHBondContact O-N 2.04Å; L83-L87 HydrophobicContact CG-CD1 4.15Å; L83-L87 PolarHBondContact O-N 2.8Å |
| 84 | K | 82.4 | Confident | 72.4 | Confident | 148 Ų | 148 | 114 Ų | 114 | 64% | 0.643 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -57.4 | -44.4 | 172.2 | -82.8 | -94.2 | -174.5 | 174.2 | 0 | 111.6 | L80 V81 R86 L87 L88 | L80-K84 WeakPolarHBondContact O-CB 3.45Å; L80-K84 PolarHBondContact O-N 2.85Å; V81-K84 PolarHBondContact O-N 3.41Å; K84-R86 VanDerWaalsContact C-N 3.33Å; K84-R86 PolarHBondContact O-N 2.93Å; K84-L87 PolarHBondContact O-N 2.87Å; K84-L88 WeakPolarHBondContact O-CD1 3.41Å; K84-L88 PolarHBondContact O-N 2.99Å |
| 85 | L | 78.1 | Confident | 70.7 | Confident | 89 Ų | 89 | 115.3 Ų | 115.3 | 47% | 0.466 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66 | -34.4 | 178.3 | -172.4 | 63.6 | 0 | 0 | 0 | 112.6 | V81 L82 L83 R89 | V81-L85 WeakPolarHBondContact O-CB 3.08Å; V81-L85 PolarHBondContact O-N 2.82Å; L82-L85 PolarHBondContact O-N 2.85Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 3.22Å; L85-R89 PolarHBondContact O-N 3.25Å; L85-R89 VanDerWaalsContact O-N 3.13Å |
| 86 | R | 75.4 | Confident | 68.9 | Low | 190 Ų | 190 | 118.1 Ų | 118.1 | 72% | 0.717 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.7 | -42.3 | 173.6 | -68.2 | -76.5 | -174.9 | 163.1 | 3.2 | 111.7 | L82 L83 K84 R89 A90 | L82-R86 WeakPolarHBondContact O-CG 3.4Å; L82-R86 PolarHBondContact O-N 3.26Å; L83-R86 PolarHBondContact O-N 2.04Å; K84-R86 VanDerWaalsContact C-N 3.33Å; K84-R86 PolarHBondContact O-N 2.93Å; R86-R89 PolarHBondContact O-N 2.84Å; R86-A90 PolarHBondContact O-N 3.21Å |
| 87 | L | 68.4 | Low | 67 | Low | 104 Ų | 104 | 117.3 Ų | 117.3 | 55% | 0.545 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63.2 | -40.8 | 175.6 | -81.7 | 154.3 | 0 | 0 | 0 | 112.3 | L83 K84 A90 S91 | L83-L87 HydrophobicContact CG-CD1 4.15Å; L83-L87 PolarHBondContact O-N 2.8Å; K84-L87 PolarHBondContact O-N 2.87Å; L87-A90 PolarHBondContact O-N 3.35Å; L87-S91 PolarHBondContact O-N 3.32Å |
| 88 | L | 61.9 | Low | 65 | Low | 125 Ų | 125 | 113.3 Ų | 113.3 | 65% | 0.654 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.9 | -36.8 | 174.3 | -93.2 | 77.7 | 0 | 0 | 0 | 112.2 | K84 A90 S91 | K84-L88 WeakPolarHBondContact O-CD1 3.41Å; K84-L88 PolarHBondContact O-N 2.99Å; L88-A90 VanDerWaalsContact C-N 3.32Å; L88-A90 PolarHBondContact O-N 3.11Å; L88-S91 PolarHBondContact O-N 3.45Å |
| 89 | R | 57.2 | Low | 63.6 | Low | 195 Ų | 195 | 112.2 Ų | 112.2 | 74% | 0.736 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.3 | -25 | 173.6 | -102.4 | -173.3 | 179.2 | 96.3 | -2.7 | 113.8 | L85 R86 S91 | L85-R89 PolarHBondContact O-N 3.25Å; L85-R89 VanDerWaalsContact O-N 3.13Å; R86-R89 PolarHBondContact O-N 2.84Å; R89-S91 VanDerWaalsContact C-N 3.32Å |
| 90 | A | 55.1 | Low | 62.8 | Low | 83 Ų | 83 | 113 Ų | 113 | 69% | 0.686 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.2 | -20.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R86 L87 L88 G92 | R86-A90 PolarHBondContact O-N 3.21Å; L87-A90 PolarHBondContact O-N 3.35Å; L88-A90 VanDerWaalsContact C-N 3.32Å; L88-A90 PolarHBondContact O-N 3.11Å; A90-G92 PolarHBondContact O-N 3.17Å; A90-G92 VanDerWaalsContact O-N 3.11Å |
| 91 | S | 51.4 | Low | 62.6 | Low | 98 Ų | 98 | 114.1 Ų | 114.1 | 69% | 0.685 | 64% | 0.636 | S | S | * | * | trans | -86.5 | 57.6 | 171.9 | -63.1 | 0 | 0 | 0 | 0 | 111.1 | L87 L88 R89 A93 | L87-S91 PolarHBondContact O-N 3.32Å; L88-S91 PolarHBondContact O-N 3.45Å; R89-S91 VanDerWaalsContact C-N 3.32Å; S91-A93 VanDerWaalsContact C-N 3.35Å; S91-A93 PolarHBondContact O-N 2.93Å | ||
| 92 | G | 46.5 | Very low | 62.7 | Low | 62 Ų | 62 | 113 Ų | 113 | 64% | 0.639 | 63% | 0.627 | S | S | * | * | trans | -65.4 | 101.9 | 156.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | A90 K94 | A90-G92 PolarHBondContact O-N 3.17Å; A90-G92 VanDerWaalsContact O-N 3.11Å; G92-K94 PolarHBondContact O-N 3.21Å | ||
| 93 | A | 45.3 | Very low | 63.1 | Low | 98 Ų | 98 | 109.3 Ų | 109.3 | 81% | 0.81 | 61% | 0.61 | S | S | * | * | trans | -48.7 | 103.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S91 Q95 | S91-A93 VanDerWaalsContact C-N 3.35Å; S91-A93 PolarHBondContact O-N 2.93Å; A93-Q95 PolarHBondContact O-N 2.04Å | ||
| 94 | K | 41.8 | Very low | 63.7 | Low | 187 Ų | 187 | 106.9 Ų | 106.9 | 81% | 0.813 | 61% | 0.606 | S | S | * | * | trans | -72.8 | 111.7 | 168.5 | -170.5 | 164.5 | -176.1 | -179.8 | 0 | 106.2 | G92 | G92-K94 PolarHBondContact O-N 3.21Š| ||
| 95 | Q | 46.8 | Very low | 64.3 | Low | 152 Ų | 152 | 101.2 Ų | 101.2 | 71% | 0.71 | 59% | 0.59 | S | S | * | * | trans | -59 | 150.1 | 176.4 | -77.4 | -174.2 | -30.7 | 0 | 0 | 111 | A93 G97 | A93-Q95 PolarHBondContact O-N 2.04Å; Q95-G97 PolarHBondContact O-N 3.5Å | ||
| 96 | P | 44 | Very low | 65.2 | Low | 132 Ų | 132 | 102.2 Ų | 102.2 | 86% | 0.857 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 129.3 | -176.3 | -3.8 | 21.6 | 0 | 0 | 0 | 110.2 | ||
| 97 | G | 47.3 | Very low | 66.1 | Low | 83 Ų | 83 | 93.8 Ų | 93.8 | 86% | 0.856 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.8 | 11.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | Q95 A99 | Q95-G97 PolarHBondContact O-N 3.5Å; G97-A99 PolarHBondContact O-N 3.39Å |
| 98 | V | 47.3 | Very low | 67.4 | Low | 80 Ų | 80 | 92.3 Ų | 92.3 | 49% | 0.485 | 56% | 0.564 | S | S | . | * | trans | -83 | 117 | -175.6 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 99 | A | 56.6 | Low | 68.8 | Low | 56 Ų | 56 | 87 Ų | 87 | 46% | 0.463 | 54% | 0.536 | S | S | . | . | trans | -41.6 | 139.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G97 Q101 | G97-A99 PolarHBondContact O-N 3.39Å; A99-Q101 PolarHBondContact O-N 3.29Å | ||
| 100 | Q | 69.9 | Low | 70.4 | Confident | 156 Ų | 156 | 81.8 Ų | 81.8 | 73% | 0.729 | 53% | 0.53 | S | S | * | . | trans | -36.8 | 107.1 | -176.3 | -168.8 | 95.8 | -18.7 | 0 | 0 | 111.7 | I102 | Q100-I102 PolarHBondContact O-N 3.34Š| ||
| 101 | Q | 84.4 | Confident | 71.9 | Confident | 119 Ų | 119 | 81.7 Ų | 81.7 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 110.9 | -176.7 | -174.8 | -173.8 | -92.1 | 0 | 0 | 109.5 | A99 G103 S118 A119 | A99-Q101 PolarHBondContact O-N 3.29Å; Q101-G103 WeakPolarHBondContact CG-O 3.11Å; Q101-S118 VanDerWaalsContact OE1-CB 3.31Å; Q101-A119 CarbonylContact C-O 3.53Å; Q101-A119 WeakPolarHBondContact CA-O 3.22Å |
| 102 | I | 91 | Very high | 73.7 | Confident | 42 Ų | 42 | 78.4 Ų | 78.4 | 22% | 0.215 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -13.7 | -178.1 | 60.4 | 172.2 | 0 | 0 | 0 | 113.3 | Q100 A119 E121 V126 W163 | Q100-I102 PolarHBondContact O-N 3.34Å; I102-A119 HydrophobicContact CG1-CB 3.89Å; I102-A119 PolarHBondContact N-O 3.11Å; I102-E121 HydrophobicContact CD1-CG 3.96Å; I102-E121 HydrophobicContact CG2-CG 3.98Å; I102-V126 HydrophobicContact CD1-CG1 3.81Å; I102-V126 HydrophobicContact CD1-CG2 4.06Å; I102-W163 HydrophobicContact CD1-CZ2 3.54Å; I102-W163 HydrophobicContact CG1-CZ2 3.85Å; I102-W163 PolarHBondContact O-NE1 3.4Å |
| 103 | G | 92.3 | Very high | 75.8 | Confident | 10 Ų | 10 | 76.2 Ų | 76.2 | 10% | 0.103 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | 160.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q101 S118 A119 | Q101-G103 WeakPolarHBondContact CG-O 3.11Å; G103-S118 WeakPolarHBondContact O-CA 3.36Å; G103-A119 PolarHBondContact O-N 2.87Å |
| 104 | G | 95.1 | Very high | 78.2 | Confident | 35 Ų | 35 | 78.5 Ų | 78.5 | 36% | 0.361 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | 171.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | W117 | G104-W117 CarbonylContact C-O 3.5Å; G104-W117 WeakPolarHBondContact CA-O 3.5Å |
| 105 | G | 95.3 | Very high | 80.7 | Confident | 29 Ų | 29 | 69.7 Ų | 69.7 | 30% | 0.299 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 174 | -178.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A116 W117 | G105-A116 WeakPolarHBondContact O-CA 3.49Å; G105-W117 PolarHBondContact N-O 2.92Å; G105-W117 PolarHBondContact O-N 2.89Å |
| 106 | T | 95.8 | Very high | 83 | Confident | 111 Ų | 111 | 64.7 Ų | 64.7 | 68% | 0.681 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 153.4 | 177.1 | 60.5 | 0 | 0 | 0 | 0 | 110.5 | C115 A116 | T106-C115 CarbonylContact C-O 3.5Å; T106-C115 WeakPolarHBondContact CA-O 3.27Å; T106-C115 WeakPolarHBondContact CB-O 3.45Å; T106-A116 HydrophobicContact CG2-CB 3.97Å |
| 107 | F | 95.3 | Very high | 85.5 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 5% | 0.053 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 164.1 | 172.3 | 62.9 | -87.4 | 0 | 0 | 0 | 109.9 | T109 C115 F170 R174 V177 | F107-T109 HydrophobicContact CD2-CG2 4.41Å; F107-T109 HydrophobicContact CE2-CG2 4Å; F107-C115 HydrophobicContact CD1-CB 4.13Å; F107-C115 HydrophobicContact CD2-CB 4.06Å; F107-C115 HydrophobicContact CE1-CB 3.64Å; F107-C115 HydrophobicContact CE2-CB 3.57Å; F107-C115 HydrophobicContact CG-CB 4.32Å; F107-C115 HydrophobicContact CZ-CB 3.32Å; F107-C115 PolarHBondContact N-O 2.83Å; F107-C115 PolarHBondContact O-N 3.24Å; F107-F170 HydrophobicContact CD1-CB 4.17Å; F107-F170 HydrophobicContact CE1-CB 4.05Å; F107-F170 HydrophobicContact CE1-CD1 4.41Å; F107-F170 HydrophobicContact CE1-CG 4.4Å; F107-R174 HydrophobicContact CD2-CB 3.77Å; F107-R174 HydrophobicContact CE2-CB 3.95Å; F107-V177 HydrophobicContact CE2-CB 4.44Å; F107-V177 HydrophobicContact CE2-CG2 4.13Å; F107-V177 HydrophobicContact CZ-CB 4.03Å; F107-V177 HydrophobicContact CZ-CG1 3.93Å; F107-V177 HydrophobicContact CZ-CG2 3.79Å |
| 108 | V | 94.3 | Very high | 87.8 | Confident | 73 Ų | 73 | 56.3 Ų | 56.3 | 44% | 0.442 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.4 | 176 | -176.1 | 0 | 0 | 0 | 0 | 107.5 | T113 R174 | V108-T113 WeakPolarHBondContact CA-O 3.08Å; V108-R174 WeakPolarHBondContact O-CD 3.34Å |
| 109 | T | 92.8 | Very high | 90.1 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 9% | 0.086 | 32% | 0.315 | C | S | . | . | trans | -74.5 | 170.1 | 176.2 | 50.2 | 0 | 0 | 0 | 0 | 111.3 | F107 D111 G112 T113 R174 | F107-T109 HydrophobicContact CD2-CG2 4.41Å; F107-T109 HydrophobicContact CE2-CG2 4Å; T109-D111 VanDerWaalsContact C-N 3.25Å; T109-D111 VanDerWaalsContact CB-OD1 3.23Å; T109-D111 WeakPolarHBondContact CB-OD1 3.45Å; T109-D111 PolarHBondContact O-N 3.35Å; T109-D111 PolarHBondContact OG1-OD1 3.26Å; T109-G112 PolarHBondContact O-N 3.45Å; T109-T113 PolarHBondContact N-O 2.86Å; T109-T113 WeakPolarHBondContact OG1-CA 3.28Å; T109-T113 WeakPolarHBondContact OG1-CB 3.4Å; T109-T113 PolarHBondContact OG1-N 3.01Å; T109-T113 VanDerWaalsContact OG1-N 3.14Å; T109-T113 PolarHBondContact OG1-O 3.27Å; T109-R174 HydrophobicContact CG2-CB 4.29Å; T109-R174 WeakPolarHBondContact CG2-O 3.26Å | ||
| 110 | S | 89.4 | Confident | 91.8 | Very high | 85 Ų | 85 | 50 Ų | 50 | 59% | 0.594 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -30.4 | 179.3 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | G112 D175 | S110-G112 PolarHBondContact O-N 3.3Å; S110-D175 WeakPolarHBondContact CB-OD1 3.39Å; S110-D175 PolarHBondContact N-OD1 2.83Å; S110-D175 VanDerWaalsContact OG-CG 3.26Å; S110-D175 PolarHBondContact OG-OD1 2.89Å |
| 111 | D | 88 | Confident | 92.5 | Very high | 82 Ų | 82 | 48.2 Ų | 48.2 | 44% | 0.439 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 9 | 176.9 | 75 | -35.3 | 0 | 0 | 0 | 113.7 | T109 T113 R134 | T109-D111 VanDerWaalsContact C-N 3.25Å; T109-D111 VanDerWaalsContact CB-OD1 3.23Å; T109-D111 WeakPolarHBondContact CB-OD1 3.45Å; T109-D111 PolarHBondContact O-N 3.35Å; T109-D111 PolarHBondContact OG1-OD1 3.26Å; D111-T113 VanDerWaalsContact C-N 3.28Å; D111-T113 VanDerWaalsContact CG-OG1 3.29Å; D111-T113 PolarHBondContact O-N 3.25Å; D111-T113 WeakPolarHBondContact OD1-CB 3.49Å; D111-T113 PolarHBondContact OD1-N 2.79Å; D111-T113 PolarHBondContact OD1-OG1 2.83Å; D111-T113 PolarHBondContact OD2-OG1 2.78Å; D111-R134 IonicContact OD2-CZ 3.76Å; D111-R134 IonicContact OD2-NE 3.66Å; D111-R134 IonicContact OD2-NH2 3.76Å; D111-R134 PolarHBondContact OD2-NH2 2.89Å |
| 112 | G | 88.4 | Confident | 92.3 | Very high | 28 Ų | 28 | 44.4 Ų | 44.4 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 78.1 | 6.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T109 S110 | T109-G112 PolarHBondContact O-N 3.45Å; S110-G112 PolarHBondContact O-N 3.3Å |
| 113 | T | 91.5 | Very high | 91.7 | Very high | 16 Ų | 16 | 46 Ų | 46 | 10% | 0.098 | 30% | 0.301 | C | S | . | . | trans | -70.6 | 128.9 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 110.2 | V108 T109 D111 C132 | V108-T113 WeakPolarHBondContact CA-O 3.08Å; T109-T113 PolarHBondContact N-O 2.86Å; T109-T113 WeakPolarHBondContact OG1-CA 3.28Å; T109-T113 WeakPolarHBondContact OG1-CB 3.4Å; T109-T113 PolarHBondContact OG1-N 3.01Å; T109-T113 VanDerWaalsContact OG1-N 3.14Å; T109-T113 PolarHBondContact OG1-O 3.27Å; D111-T113 VanDerWaalsContact C-N 3.28Å; D111-T113 VanDerWaalsContact CG-OG1 3.29Å; D111-T113 PolarHBondContact O-N 3.25Å; D111-T113 WeakPolarHBondContact OD1-CB 3.49Å; D111-T113 PolarHBondContact OD1-N 2.79Å; D111-T113 PolarHBondContact OD1-OG1 2.83Å; D111-T113 PolarHBondContact OD2-OG1 2.78Å; T113-C132 HydrophobicContact CG2-CB 3.9Å | ||
| 114 | R | 94.2 | Very high | 90.9 | Very high | 147 Ų | 147 | 52.9 Ų | 52.9 | 56% | 0.555 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.9 | -179.7 | -175.4 | 178.5 | -67.2 | 108.8 | -1.4 | 109.2 | C132 E133 | R114-C132 CarbonylContact O-C 3.52Å; R114-C132 WeakPolarHBondContact O-CA 3.36Å; R114-E133 PolarHBondContact N-O 3.13Å; R114-E133 PolarHBondContact O-N 2.83Å |
| 115 | C | 95.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 138.9 | 177.7 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | T106 F107 V130 N131 C132 | T106-C115 CarbonylContact C-O 3.5Å; T106-C115 WeakPolarHBondContact CA-O 3.27Å; T106-C115 WeakPolarHBondContact CB-O 3.45Å; F107-C115 HydrophobicContact CD1-CB 4.13Å; F107-C115 HydrophobicContact CD2-CB 4.06Å; F107-C115 HydrophobicContact CE1-CB 3.64Å; F107-C115 HydrophobicContact CE2-CB 3.57Å; F107-C115 HydrophobicContact CG-CB 4.32Å; F107-C115 HydrophobicContact CZ-CB 3.32Å; F107-C115 PolarHBondContact N-O 2.83Å; F107-C115 PolarHBondContact O-N 3.24Å; C115-V130 HydrophobicContact CB-CG1 4.47Å; C115-N131 CarbonylContact C-O 3.56Å; C115-N131 VanDerWaalsContact CA-O 3.26Å; C115-N131 WeakPolarHBondContact CA-O 3.32Å; C115-C132 HydrophobicContact CB-CB 4.11Å; C115-C132 WeakPolarHBondContact CB-SG 3.05Å; C115-C132 WeakPolarHBondContact SG-CB 3.3Å; C115-C132 CovalentContact SG-SG 2.04Å; C115-C132 PolarHBondContact SG-SG 2.92Å |
| 116 | A | 96.1 | Very high | 90.4 | Very high | 47 Ų | 47 | 51.6 Ų | 51.6 | 39% | 0.388 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 143.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109 | G105 T106 V130 N131 | G105-A116 WeakPolarHBondContact O-CA 3.49Å; T106-A116 HydrophobicContact CG2-CB 3.97Å; A116-V130 CarbonylContact O-C 3.49Å; A116-V130 WeakPolarHBondContact O-CA 3.41Å; A116-N131 PolarHBondContact N-O 2.78Å; A116-N131 PolarHBondContact O-N 3.16Å |
| 117 | W | 96.4 | Very high | 90.3 | Very high | 9 Ų | 9 | 49 Ų | 49 | 3% | 0.034 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 148.2 | 175.2 | 68.2 | -85.7 | 0 | 0 | 0 | 111.3 | G104 G105 A119 V128 W129 V130 W163 V166 A167 F170 | G104-W117 CarbonylContact C-O 3.5Å; G104-W117 WeakPolarHBondContact CA-O 3.5Å; G105-W117 PolarHBondContact N-O 2.92Å; G105-W117 PolarHBondContact O-N 2.89Å; W117-A119 HydrophobicContact CZ3-CB 4.22Å; W117-V128 HydrophobicContact CB-CG1 4.35Å; W117-V128 HydrophobicContact CD2-CG1 4.37Å; W117-V128 HydrophobicContact CE3-CG1 3.56Å; W117-V128 HydrophobicContact CZ3-CG1 4.28Å; W117-W129 CarbonylContact C-O 3.4Å; W117-W129 WeakPolarHBondContact CA-O 3.15Å; W117-W129 WeakPolarHBondContact CB-O 3.38Å; W117-V130 HydrophobicContact CB-CB 4.4Å; W117-V130 HydrophobicContact CB-CG1 4.44Å; W117-V130 HydrophobicContact CB-CG2 3.87Å; W117-W163 AromaticContact CH2-CE3 3.96Å; W117-W163 HydrophobicContact CH2-CE3 3.96Å; W117-W163 AromaticContact CZ3-CE3 3.84Å; W117-W163 HydrophobicContact CZ3-CE3 3.84Å; W117-W163 HydrophobicContact CZ3-CZ3 4.1Å; W117-V166 HydrophobicContact CH2-CB 4.46Å; W117-V166 HydrophobicContact CH2-CG1 3.88Å; W117-V166 HydrophobicContact CZ2-CG1 4.37Å; W117-V166 HydrophobicContact CZ3-CG1 4.12Å; W117-A167 HydrophobicContact CZ2-CB 3.71Å; W117-F170 AromaticContact CD2-CD2 3.9Å; W117-F170 HydrophobicContact CD2-CD2 3.9Å; W117-F170 AromaticContact CD2-CE2 3.81Å; W117-F170 HydrophobicContact CD2-CE2 3.81Å; W117-F170 AromaticContact CE2-CD2 3.79Å; W117-F170 HydrophobicContact CE3-CD2 4.46Å; W117-F170 AromaticContact CE3-CE2 4Å; W117-F170 HydrophobicContact CE3-CE2 4Å; W117-F170 HydrophobicContact CG-CD2 4.13Å; W117-F170 HydrophobicContact CG-CE2 4.13Å; W117-F170 HydrophobicContact CZ2-CD2 4.28Å; W117-F170 HydrophobicContact CZ3-CE2 4.45Å; W117-F170 AromaticContact NE1-CD2 3.91Å |
| 118 | S | 95.6 | Very high | 90.4 | Very high | 31 Ų | 31 | 48.5 Ų | 48.5 | 22% | 0.217 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 135.5 | 178.4 | 55.3 | 0 | 0 | 0 | 0 | 109.8 | Q101 G103 V128 W129 | Q101-S118 VanDerWaalsContact OE1-CB 3.31Å; G103-S118 WeakPolarHBondContact O-CA 3.36Å; S118-V128 CarbonylContact O-C 3.55Å; S118-V128 VanDerWaalsContact O-CA 3.28Å; S118-V128 WeakPolarHBondContact O-CA 3.29Å; S118-W129 PolarHBondContact N-O 3.49Å; S118-W129 PolarHBondContact O-N 3.33Å |
| 119 | A | 95 | Very high | 90.4 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 133.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q101 I102 G103 W117 V126 K127 V128 W163 | Q101-A119 CarbonylContact C-O 3.53Å; Q101-A119 WeakPolarHBondContact CA-O 3.22Å; I102-A119 HydrophobicContact CG1-CB 3.89Å; I102-A119 PolarHBondContact N-O 3.11Å; G103-A119 PolarHBondContact O-N 2.87Å; W117-A119 HydrophobicContact CZ3-CB 4.22Å; A119-V126 HydrophobicContact CB-CG1 4.26Å; A119-K127 WeakPolarHBondContact CA-O 3.24Å; A119-V128 HydrophobicContact CB-CG2 3.77Å; A119-W163 HydrophobicContact CB-CD2 4.4Å; A119-W163 HydrophobicContact CB-CE3 4.02Å; A119-W163 HydrophobicContact CB-CH2 3.4Å; A119-W163 HydrophobicContact CB-CZ2 3.8Å; A119-W163 HydrophobicContact CB-CZ3 3.5Å; A119-W163 VanDerWaalsContact CB-CZ3 3.5Å |
| 120 | G | 91.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 153.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V126 K127 | G120-V126 WeakPolarHBondContact O-CG1 3.28Å; G120-K127 PolarHBondContact N-O 3.02Å; G120-K127 PolarHBondContact O-N 3.31Å; G120-K127 VanDerWaalsContact O-O 3.12Å |
| 121 | E | 85.9 | Confident | 90.9 | Very high | 120 Ų | 120 | 48.9 Ų | 48.9 | 56% | 0.561 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 141.4 | 178.4 | -64.9 | 179.7 | 172.3 | 0 | 0 | 110.8 | I102 | I102-E121 HydrophobicContact CD1-CG 3.96Å; I102-E121 HydrophobicContact CG2-CG 3.98Å |
| 122 | A | 78.9 | Confident | 91.1 | Very high | 38 Ų | 38 | 45.5 Ų | 45.5 | 31% | 0.314 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 57.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | A125 K127 | A122-A125 CarbonylContact C-O 3.11Å; A122-A125 VanDerWaalsContact CA-O 3.25Å; A122-A125 WeakPolarHBondContact CA-O 3.27Å; A122-A125 WeakPolarHBondContact CB-O 3.44Å; A122-A125 PolarHBondContact N-O 3.32Å; A122-A125 PolarHBondContact O-N 2.92Å; A122-A125 VanDerWaalsContact O-O 3.1Å; A122-K127 HydrophobicContact CB-CB 4.23Å; A122-K127 HydrophobicContact CB-CD 3.66Å; A122-K127 HydrophobicContact CB-CG 3.63Å |
| 123 | G | 78.2 | Confident | 91.3 | Very high | 76 Ų | 76 | 47.6 Ų | 47.6 | 78% | 0.784 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | -127.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A125 | G123-A125 PolarHBondContact O-N 2.95Š|
| 124 | E | 75.8 | Confident | 91.1 | Very high | 155 Ų | 155 | 52.3 Ų | 52.3 | 72% | 0.724 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -19.7 | 177.4 | -61.9 | -178.9 | 170 | 0 | 0 | 113.6 | ||
| 125 | A | 87.4 | Confident | 90.2 | Very high | 30 Ų | 30 | 52.5 Ų | 52.5 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 158.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A122 G123 G147 R148 | A122-A125 CarbonylContact C-O 3.11Å; A122-A125 VanDerWaalsContact CA-O 3.25Å; A122-A125 WeakPolarHBondContact CA-O 3.27Å; A122-A125 WeakPolarHBondContact CB-O 3.44Å; A122-A125 PolarHBondContact N-O 3.32Å; A122-A125 PolarHBondContact O-N 2.92Å; A122-A125 VanDerWaalsContact O-O 3.1Å; G123-A125 PolarHBondContact O-N 2.95Å; A125-G147 CarbonylContact C-O 3.57Å; A125-G147 WeakPolarHBondContact CA-O 3.13Å; A125-R148 HydrophobicContact CB-CG 4.22Å |
| 126 | V | 92.6 | Very high | 89.1 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 137.5 | 171.3 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | I102 A119 G120 V128 R146 G147 P149 W163 | I102-V126 HydrophobicContact CD1-CG1 3.81Å; I102-V126 HydrophobicContact CD1-CG2 4.06Å; A119-V126 HydrophobicContact CB-CG1 4.26Å; G120-V126 WeakPolarHBondContact O-CG1 3.28Å; V126-V128 HydrophobicContact CG1-CG2 4.41Å; V126-R146 WeakPolarHBondContact O-CA 3.35Å; V126-G147 PolarHBondContact N-O 3.44Å; V126-G147 PolarHBondContact O-N 3.21Å; V126-P149 HydrophobicContact CB-CG 4.16Å; V126-P149 HydrophobicContact CG2-CG 3.82Å; V126-W163 HydrophobicContact CG1-CH2 3.65Å; V126-W163 HydrophobicContact CG1-CZ2 3.87Å |
| 127 | K | 94.6 | Very high | 87.9 | Confident | 57 Ų | 57 | 54.8 Ų | 54.8 | 25% | 0.248 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 136 | 172.2 | -74.3 | 176.2 | 179.8 | -175.6 | 0 | 109.4 | A119 G120 A122 W129 E144 Y145 R146 | A119-K127 WeakPolarHBondContact CA-O 3.24Å; G120-K127 PolarHBondContact N-O 3.02Å; G120-K127 PolarHBondContact O-N 3.31Å; G120-K127 VanDerWaalsContact O-O 3.12Å; A122-K127 HydrophobicContact CB-CB 4.23Å; A122-K127 HydrophobicContact CB-CD 3.66Å; A122-K127 HydrophobicContact CB-CG 3.63Å; K127-W129 HydrophobicContact CB-CH2 3.61Å; K127-W129 HydrophobicContact CB-CZ2 3.57Å; K127-W129 HydrophobicContact CB-CZ3 4.14Å; K127-W129 HydrophobicContact CD-CH2 4.36Å; K127-W129 HydrophobicContact CD-CZ2 3.8Å; K127-W129 HydrophobicContact CG-CZ2 4.35Å; K127-E144 HydrophobicContact CB-CG 4.32Å; K127-E144 HydrophobicContact CG-CG 4.36Å; K127-Y145 CarbonylContact C-O 3.45Å; K127-Y145 WeakPolarHBondContact CA-O 3.47Å; K127-R146 HydrophobicContact CG-CG 4.3Å |
| 128 | V | 95.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 110.3 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | W117 S118 A119 V126 E144 Y145 W163 F170 L199 | W117-V128 HydrophobicContact CB-CG1 4.35Å; W117-V128 HydrophobicContact CD2-CG1 4.37Å; W117-V128 HydrophobicContact CE3-CG1 3.56Å; W117-V128 HydrophobicContact CZ3-CG1 4.28Å; S118-V128 CarbonylContact O-C 3.55Å; S118-V128 VanDerWaalsContact O-CA 3.28Å; S118-V128 WeakPolarHBondContact O-CA 3.29Å; A119-V128 HydrophobicContact CB-CG2 3.77Å; V126-V128 HydrophobicContact CG1-CG2 4.41Å; V128-E144 CarbonylContact O-C 3.57Å; V128-E144 WeakPolarHBondContact O-CA 3.4Å; V128-Y145 PolarHBondContact N-O 3.3Å; V128-Y145 PolarHBondContact O-N 3.11Å; V128-W163 HydrophobicContact CG2-CH2 4.07Å; V128-W163 HydrophobicContact CG2-CZ3 3.97Å; V128-F170 HydrophobicContact CG1-CE2 4.11Å; V128-F170 HydrophobicContact CG1-CZ 3.99Å; V128-L199 HydrophobicContact CG2-CD1 3.82Å; V128-L199 HydrophobicContact CG2-CD2 3.92Å |
| 129 | W | 95.6 | Very high | 86 | Confident | 98 Ų | 98 | 58.7 Ų | 58.7 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 135.6 | 175.4 | -60.2 | -82.9 | 0 | 0 | 0 | 109.3 | W117 S118 K127 E144 | W117-W129 CarbonylContact C-O 3.4Å; W117-W129 WeakPolarHBondContact CA-O 3.15Å; W117-W129 WeakPolarHBondContact CB-O 3.38Å; S118-W129 PolarHBondContact N-O 3.49Å; S118-W129 PolarHBondContact O-N 3.33Å; K127-W129 HydrophobicContact CB-CH2 3.61Å; K127-W129 HydrophobicContact CB-CZ2 3.57Å; K127-W129 HydrophobicContact CB-CZ3 4.14Å; K127-W129 HydrophobicContact CD-CH2 4.36Å; K127-W129 HydrophobicContact CD-CZ2 3.8Å; K127-W129 HydrophobicContact CG-CZ2 4.35Å; W129-E144 PolarHBondContact NE1-OE2 3.01Å |
| 130 | V | 96.1 | Very high | 85.8 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.018 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 131.9 | 174.2 | -173.9 | 0 | 0 | 0 | 0 | 107.7 | C115 A116 W117 G142 C143 Y145 F170 V177 | C115-V130 HydrophobicContact CB-CG1 4.47Å; A116-V130 CarbonylContact O-C 3.49Å; A116-V130 WeakPolarHBondContact O-CA 3.41Å; W117-V130 HydrophobicContact CB-CB 4.4Å; W117-V130 HydrophobicContact CB-CG1 4.44Å; W117-V130 HydrophobicContact CB-CG2 3.87Å; V130-G142 CarbonylContact O-C 3.45Å; V130-G142 WeakPolarHBondContact O-CA 3.42Å; V130-C143 PolarHBondContact N-O 2.9Å; V130-C143 PolarHBondContact O-N 2.89Å; V130-Y145 HydrophobicContact CG2-CD2 3.86Å; V130-Y145 HydrophobicContact CG2-CE2 3.89Å; V130-F170 HydrophobicContact CG2-CE1 4.07Å; V130-F170 HydrophobicContact CG2-CZ 4.2Å; V130-V177 HydrophobicContact CG1-CG1 3.86Å; V130-V177 HydrophobicContact CG2-CG1 4.39Å |
| 131 | N | 95.3 | Very high | 85.8 | Confident | 79 Ų | 79 | 64.8 Ų | 64.8 | 42% | 0.422 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 123.5 | 173.1 | -176.1 | 42.9 | 0 | 0 | 0 | 109.3 | C115 A116 T141 | C115-N131 CarbonylContact C-O 3.56Å; C115-N131 VanDerWaalsContact CA-O 3.26Å; C115-N131 WeakPolarHBondContact CA-O 3.32Å; A116-N131 PolarHBondContact N-O 2.78Å; A116-N131 PolarHBondContact O-N 3.16Å; N131-T141 CarbonylContact C-O 3.51Å |
| 132 | C | 93.7 | Very high | 86.2 | Confident | 11 Ų | 11 | 60 Ų | 60 | 7% | 0.074 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.7 | -178.5 | -68 | 0 | 0 | 0 | 0 | 110 | T113 R114 C115 K140 T141 | T113-C132 HydrophobicContact CG2-CB 3.9Å; R114-C132 CarbonylContact O-C 3.52Å; R114-C132 WeakPolarHBondContact O-CA 3.36Å; C115-C132 HydrophobicContact CB-CB 4.11Å; C115-C132 WeakPolarHBondContact CB-SG 3.05Å; C115-C132 WeakPolarHBondContact SG-CB 3.3Å; C115-C132 CovalentContact SG-SG 2.04Å; C115-C132 PolarHBondContact SG-SG 2.92Å; C132-K140 CarbonylContact O-C 3.5Å; C132-K140 WeakPolarHBondContact O-CA 3.44Å; C132-T141 PolarHBondContact N-O 3.46Å; C132-T141 PolarHBondContact O-N 2.85Å |
| 133 | E | 91.6 | Very high | 87 | Confident | 72 Ų | 72 | 58.4 Ų | 58.4 | 34% | 0.336 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 123.7 | -177.9 | -176.6 | 169.7 | -157.3 | 0 | 0 | 109.9 | R114 G137 K140 | R114-E133 PolarHBondContact N-O 3.13Å; R114-E133 PolarHBondContact O-N 2.83Å; E133-G137 WeakPolarHBondContact OE1-CA 3.4Å; E133-K140 HydrophobicContact CG-CG 4.2Å; E133-K140 WeakPolarHBondContact OE1-CE 3.4Å; E133-K140 IonicContact OE1-NZ 2.78Å |
| 134 | R | 87.4 | Confident | 87.8 | Confident | 116 Ų | 116 | 55.9 Ų | 55.9 | 44% | 0.438 | 30% | 0.299 | S | S | . | . | trans | -75 | 150.2 | 173.2 | -174.3 | 171.9 | -76.6 | 169.6 | -5.1 | 109.4 | D111 G136 G137 N139 | D111-R134 IonicContact OD2-CZ 3.76Å; D111-R134 IonicContact OD2-NE 3.66Å; D111-R134 IonicContact OD2-NH2 3.76Å; D111-R134 PolarHBondContact OD2-NH2 2.89Å; R134-G136 PolarHBondContact O-N 2.9Å; R134-G137 PolarHBondContact O-N 3.35Å; R134-N139 HydrophobicContact CB-CB 4.31Å; R134-N139 PolarHBondContact N-O 3.21Å; R134-N139 VanDerWaalsContact N-O 3.16Å | ||
| 135 | Q | 75.8 | Confident | 88.8 | Confident | 150 Ų | 150 | 48.5 Ų | 48.5 | 70% | 0.701 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 132.6 | 173.9 | -63.3 | -166.6 | 9.7 | 0 | 0 | 110.5 | ||
| 136 | G | 71.3 | Confident | 89.1 | Confident | 73 Ų | 73 | 52.3 Ų | 52.3 | 75% | 0.753 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.9 | -4.8 | -172 | 0 | 0 | 0 | 0 | 0 | 115 | R134 V138 | R134-G136 PolarHBondContact O-N 2.9Å; G136-V138 WeakPolarHBondContact O-CG2 3.38Å; G136-V138 PolarHBondContact O-N 3.37Å |
| 137 | G | 70.3 | Confident | 89.1 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 25% | 0.247 | 27% | 0.274 | C | S | . | . | S | Bend | trans | 68.7 | 0.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | E133 R134 | E133-G137 WeakPolarHBondContact OE1-CA 3.4Å; R134-G137 PolarHBondContact O-N 3.35Å |
| 138 | V | 72.7 | Confident | 89.1 | Confident | 66 Ų | 66 | 55.1 Ų | 55.1 | 40% | 0.4 | 28% | 0.283 | S | S | . | . | trans | -71.3 | -33.2 | -175.1 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | G136 T210 A211 | G136-V138 WeakPolarHBondContact O-CG2 3.38Å; G136-V138 PolarHBondContact O-N 3.37Å; V138-T210 HydrophobicContact CG1-CG2 4.44Å; V138-T210 CarbonylContact O-C 3.56Å; V138-T210 VanDerWaalsContact O-CA 3.29Å; V138-T210 WeakPolarHBondContact O-CA 3.33Å; V138-A211 HydrophobicContact CG1-CB 4.26Å; V138-A211 VanDerWaalsContact CG1-O 3.26Å; V138-A211 WeakPolarHBondContact CG1-O 3.4Å; V138-A211 PolarHBondContact O-N 2.87Å | ||
| 139 | N | 81 | Confident | 89 | Confident | 56 Ų | 56 | 55.1 Ų | 55.1 | 30% | 0.299 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 104.5 | -177.9 | -71.8 | -71.7 | 0 | 0 | 0 | 110.3 | R134 T210 | R134-N139 HydrophobicContact CB-CB 4.31Å; R134-N139 PolarHBondContact N-O 3.21Å; R134-N139 VanDerWaalsContact N-O 3.16Å; N139-T210 VanDerWaalsContact OD1-CG2 3.23Å; N139-T210 WeakPolarHBondContact OD1-CG2 3.34Å; N139-T210 PolarHBondContact OD1-OG1 3.5Å |
| 140 | K | 89.5 | Confident | 88.7 | Confident | 96 Ų | 96 | 55.5 Ų | 55.5 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.4 | 175.4 | -65.2 | -179.9 | -178.1 | 178.7 | 0 | 109.5 | C132 E133 S209 | C132-K140 CarbonylContact O-C 3.5Å; C132-K140 WeakPolarHBondContact O-CA 3.44Å; E133-K140 HydrophobicContact CG-CG 4.2Å; E133-K140 WeakPolarHBondContact OE1-CE 3.4Å; E133-K140 IonicContact OE1-NZ 2.78Å; K140-S209 PolarHBondContact N-O 3.22Å; K140-S209 PolarHBondContact O-N 2.9Å |
| 141 | T | 92.4 | Very high | 88.5 | Confident | 34 Ų | 34 | 57.8 Ų | 57.8 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122.3 | 176.2 | -58.1 | 0 | 0 | 0 | 0 | 109.3 | N131 C132 C178 K207 R208 | N131-T141 CarbonylContact C-O 3.51Å; C132-T141 PolarHBondContact N-O 3.46Å; C132-T141 PolarHBondContact O-N 2.85Å; T141-C178 HydrophobicContact CG2-CB 4.23Å; T141-K207 CarbonylContact C-O 3.55Å; T141-K207 VanDerWaalsContact CA-O 3.3Å; T141-K207 WeakPolarHBondContact CA-O 3.22Å; T141-R208 HydrophobicContact CG2-CG 3.93Å; T141-R208 WeakPolarHBondContact OG1-CG 3.16Å |
| 142 | G | 94.1 | Very high | 88.3 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 19% | 0.186 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 148.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V130 V206 K207 | V130-G142 CarbonylContact O-C 3.45Å; V130-G142 WeakPolarHBondContact O-CA 3.42Å; G142-V206 CarbonylContact O-C 3.59Å; G142-V206 WeakPolarHBondContact O-CA 3.35Å; G142-K207 PolarHBondContact N-O 3.44Å; G142-K207 PolarHBondContact O-N 2.93Å |
| 143 | C | 95.6 | Very high | 88.2 | Confident | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 164.9 | 167.6 | 72.2 | 0 | 0 | 0 | 0 | 112.5 | V130 Y145 C178 L201 V206 | V130-C143 PolarHBondContact N-O 2.9Å; V130-C143 PolarHBondContact O-N 2.89Å; C143-Y145 VanDerWaalsContact SG-CE2 3.56Å; C143-C178 HydrophobicContact CB-CB 3.66Å; C143-C178 WeakPolarHBondContact CB-SG 3.22Å; C143-C178 WeakPolarHBondContact SG-CA 3.18Å; C143-C178 WeakPolarHBondContact SG-CB 3.47Å; C143-C178 CovalentContact SG-SG 2.03Å; C143-C178 PolarHBondContact SG-SG 2.99Å; C143-L201 HydrophobicContact CB-CD1 3.63Å; C143-L201 VanDerWaalsContact SG-CD1 3.55Å; C143-V206 HydrophobicContact CB-CG2 3.96Å |
| 144 | E | 95.8 | Very high | 88.2 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 133.2 | 179.6 | -170.1 | 177.5 | 100.7 | 0 | 0 | 110.6 | K127 V128 W129 R146 D202 S205 | K127-E144 HydrophobicContact CB-CG 4.32Å; K127-E144 HydrophobicContact CG-CG 4.36Å; V128-E144 CarbonylContact O-C 3.57Å; V128-E144 WeakPolarHBondContact O-CA 3.4Å; W129-E144 PolarHBondContact NE1-OE2 3.01Å; E144-R146 IonicContact OE1-CZ 3.69Å; E144-R146 IonicContact OE1-NE 3.59Å; E144-R146 PolarHBondContact OE1-NE 3.02Å; E144-R146 IonicContact OE1-NH2 2.72Å; E144-R146 PolarHBondContact OE1-NH2 3.03Å; E144-D202 PolarHBondContact O-N 3.32Å; E144-S205 WeakPolarHBondContact CB-OG 3Å; E144-S205 PolarHBondContact N-OG 3.34Å; E144-S205 PolarHBondContact O-OG 3.35Å |
| 145 | Y | 95.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 142.7 | 168.3 | -71.4 | -107.7 | 0 | 0 | 0 | 110.1 | K127 V128 V130 C143 F170 V177 C178 V185 R200 L201 | K127-Y145 CarbonylContact C-O 3.45Å; K127-Y145 WeakPolarHBondContact CA-O 3.47Å; V128-Y145 PolarHBondContact N-O 3.3Å; V128-Y145 PolarHBondContact O-N 3.11Å; V130-Y145 HydrophobicContact CG2-CD2 3.86Å; V130-Y145 HydrophobicContact CG2-CE2 3.89Å; C143-Y145 VanDerWaalsContact SG-CE2 3.56Å; Y145-F170 HydrophobicContact CD2-CE1 4.18Å; Y145-F170 HydrophobicContact CD2-CZ 4.27Å; Y145-F170 AromaticContact CE2-CE1 3.93Å; Y145-F170 HydrophobicContact CE2-CE1 3.93Å; Y145-F170 HydrophobicContact CE2-CZ 4.47Å; Y145-F170 HydrophobicContact CG-CZ 4.46Å; Y145-V177 HydrophobicContact CE2-CG1 4.17Å; Y145-C178 PolarHBondContact OH-N 3.24Å; Y145-V185 HydrophobicContact CD1-CG2 3.97Å; Y145-V185 HydrophobicContact CE1-CG2 3.72Å; Y145-R200 CarbonylContact C-O 3.6Å; Y145-R200 WeakPolarHBondContact CA-O 3.39Å; Y145-R200 VanDerWaalsContact CD1-C 3.44Å; Y145-L201 HydrophobicContact CD1-CB 4.14Å; Y145-L201 VanDerWaalsContact CD1-N 3.33Å; Y145-L201 HydrophobicContact CD2-CD1 4.25Å; Y145-L201 HydrophobicContact CE1-CB 3.74Å; Y145-L201 HydrophobicContact CE2-CD1 3.89Å |
| 146 | R | 94.5 | Very high | 89.1 | Confident | 110 Ų | 110 | 47.7 Ų | 47.7 | 42% | 0.415 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 143.7 | 178.9 | -63.8 | -173.4 | 176.3 | -164.3 | 5.7 | 111.6 | V126 K127 E144 L199 R200 D202 | V126-R146 WeakPolarHBondContact O-CA 3.35Å; K127-R146 HydrophobicContact CG-CG 4.3Å; E144-R146 IonicContact OE1-CZ 3.69Å; E144-R146 IonicContact OE1-NE 3.59Å; E144-R146 PolarHBondContact OE1-NE 3.02Å; E144-R146 IonicContact OE1-NH2 2.72Å; E144-R146 PolarHBondContact OE1-NH2 3.03Å; R146-L199 WeakPolarHBondContact O-CA 3.32Å; R146-R200 PolarHBondContact N-O 2.94Å; R146-R200 PolarHBondContact O-N 3.45Å; R146-D202 IonicContact CZ-OD2 3.46Å; R146-D202 IonicContact NE-OD2 3.17Å; R146-D202 IonicContact NH2-OD2 3.7Å |
| 147 | G | 93.6 | Very high | 90.2 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 174.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A125 V126 P149 D196 | A125-G147 CarbonylContact C-O 3.57Å; A125-G147 WeakPolarHBondContact CA-O 3.13Å; V126-G147 PolarHBondContact N-O 3.44Å; V126-G147 PolarHBondContact O-N 3.21Å; G147-P149 WeakPolarHBondContact O-CD 3.37Å; G147-D196 CarbonylContact C-O 3.55Å; G147-D196 WeakPolarHBondContact CA-O 3.47Å |
| 148 | R | 94.1 | Very high | 91.3 | Very high | 115 Ų | 115 | 51.4 Ų | 51.4 | 43% | 0.434 | 28% | 0.282 | S | S | . | . | trans | -121 | 74.8 | -179.4 | -67.9 | 179.2 | 174.7 | 166.1 | -9.6 | 111.1 | A125 Q150 S151 D196 A197 | A125-R148 HydrophobicContact CB-CG 4.22Å; R148-Q150 PolarHBondContact O-N 2.79Å; R148-Q150 VanDerWaalsContact O-N 3.09Å; R148-S151 WeakPolarHBondContact O-CB 3.48Å; R148-S151 PolarHBondContact O-N 3.18Å; R148-S151 PolarHBondContact O-OG 3.5Å; R148-D196 PolarHBondContact N-O 2.95Å; R148-D196 IonicContact NH1-OD2 2.77Å; R148-D196 PolarHBondContact NH1-OD2 3.3Å; R148-A197 WeakPolarHBondContact O-CA 3.36Å | ||
| 149 | P | 92.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -55.8 | -30.1 | -177.6 | -25.1 | 35.5 | 0 | 0 | 0 | 113.7 | V126 G147 S151 C152 Y155 F162 | V126-P149 HydrophobicContact CB-CG 4.16Å; V126-P149 HydrophobicContact CG2-CG 3.82Å; G147-P149 WeakPolarHBondContact O-CD 3.37Å; P149-S151 PolarHBondContact O-N 2.93Å; P149-C152 WeakPolarHBondContact O-CB 3.5Å; P149-C152 PolarHBondContact O-N 3.07Å; P149-Y155 HydrophobicContact CB-CD1 3.82Å; P149-Y155 HydrophobicContact CB-CD2 3.44Å; P149-Y155 VanDerWaalsContact CB-CD2 3.44Å; P149-Y155 HydrophobicContact CB-CE1 4.07Å; P149-Y155 HydrophobicContact CB-CE2 3.69Å; P149-Y155 HydrophobicContact CB-CG 3.5Å; P149-Y155 HydrophobicContact CG-CE2 4.45Å; P149-Y155 WeakPolarHBondContact O-CB 3.45Å; P149-F162 HydrophobicContact CB-CE1 3.97Å; P149-F162 HydrophobicContact CB-CE2 4.2Å; P149-F162 HydrophobicContact CB-CZ 3.75Å; P149-F162 HydrophobicContact CG-CE1 3.89Å; P149-F162 HydrophobicContact CG-CZ 3.79Å |
| 150 | Q | 90.5 | Very high | 92.9 | Very high | 106 Ų | 106 | 55.7 Ų | 55.7 | 50% | 0.495 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -57.1 | -28.1 | 177.5 | -63.6 | -71.2 | -17.9 | 0 | 0 | 113.9 | R148 C152 Y155 N156 | R148-Q150 PolarHBondContact O-N 2.79Å; R148-Q150 VanDerWaalsContact O-N 3.09Å; Q150-C152 PolarHBondContact O-N 3.36Å; Q150-Y155 HydrophobicContact CG-CE1 4.43Å; Q150-N156 PolarHBondContact O-ND2 2.75Å; Q150-N156 PolarHBondContact OE1-OD1 2.03Å |
| 151 | S | 90.9 | Very high | 93.1 | Very high | 51 Ų | 51 | 52 Ų | 52 | 36% | 0.357 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -70.5 | -9.5 | 175.8 | 64.9 | 0 | 0 | 0 | 0 | 113.6 | R148 P149 A197 | R148-S151 WeakPolarHBondContact O-CB 3.48Å; R148-S151 PolarHBondContact O-N 3.18Å; R148-S151 PolarHBondContact O-OG 3.5Å; P149-S151 PolarHBondContact O-N 2.93Å; S151-A197 WeakPolarHBondContact OG-CA 3.26Å; S151-A197 WeakPolarHBondContact OG-CB 3.22Å |
| 152 | C | 91.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -104.2 | 118.3 | 175.5 | 170.2 | 0 | 0 | 0 | 0 | 109.7 | P149 Q150 G154 Y155 C190 A193 A197 | P149-C152 WeakPolarHBondContact O-CB 3.5Å; P149-C152 PolarHBondContact O-N 3.07Å; Q150-C152 PolarHBondContact O-N 3.36Å; C152-G154 PolarHBondContact O-N 3.33Å; C152-G154 VanDerWaalsContact O-N 3.17Å; C152-Y155 WeakPolarHBondContact O-CB 3.45Å; C152-Y155 PolarHBondContact O-N 3.09Å; C152-C190 HydrophobicContact CB-CB 3.77Å; C152-C190 WeakPolarHBondContact CB-SG 3.43Å; C152-C190 WeakPolarHBondContact SG-CA 3.26Å; C152-C190 WeakPolarHBondContact SG-CB 3.32Å; C152-C190 CovalentContact SG-SG 2.04Å; C152-C190 PolarHBondContact SG-SG 3.01Å; C152-A193 HydrophobicContact CB-CB 3.81Å; C152-A197 HydrophobicContact CB-CB 4.23Å |
| 153 | S | 91.3 | Very high | 93.3 | Very high | 96 Ų | 96 | 50.5 Ų | 50.5 | 67% | 0.671 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -55.9 | -35.6 | 177.7 | 57.1 | 0 | 0 | 0 | 0 | 113 | Y155 N156 S157 | S153-Y155 VanDerWaalsContact C-N 3.26Å; S153-Y155 PolarHBondContact O-N 2.89Å; S153-N156 PolarHBondContact O-N 2.81Å; S153-N156 VanDerWaalsContact O-N 3.1Å; S153-S157 PolarHBondContact O-N 2.81Å; S153-S157 VanDerWaalsContact O-N 3.09Å; S153-S157 PolarHBondContact O-OG 2.92Å |
| 154 | G | 91.7 | Very high | 93.3 | Very high | 17 Ų | 17 | 55.5 Ų | 55.5 | 18% | 0.175 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.1 | -30.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | C152 D158 | C152-G154 PolarHBondContact O-N 3.33Å; C152-G154 VanDerWaalsContact O-N 3.17Å; G154-D158 PolarHBondContact O-N 3.23Å; G154-D158 VanDerWaalsContact O-N 3.17Å |
| 155 | Y | 92.4 | Very high | 93.3 | Very high | 13 Ų | 13 | 57 Ų | 57 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.9 | -44.9 | 172.8 | 178 | -99.1 | 0 | 0 | 0 | 111 | P149 Q150 C152 S153 S157 D158 P159 F162 W163 | P149-Y155 HydrophobicContact CB-CD1 3.82Å; P149-Y155 HydrophobicContact CB-CD2 3.44Å; P149-Y155 VanDerWaalsContact CB-CD2 3.44Å; P149-Y155 HydrophobicContact CB-CE1 4.07Å; P149-Y155 HydrophobicContact CB-CE2 3.69Å; P149-Y155 HydrophobicContact CB-CG 3.5Å; P149-Y155 HydrophobicContact CG-CE2 4.45Å; P149-Y155 WeakPolarHBondContact O-CB 3.45Å; Q150-Y155 HydrophobicContact CG-CE1 4.43Å; C152-Y155 WeakPolarHBondContact O-CB 3.45Å; C152-Y155 PolarHBondContact O-N 3.09Å; S153-Y155 VanDerWaalsContact C-N 3.26Å; S153-Y155 PolarHBondContact O-N 2.89Å; Y155-S157 PolarHBondContact O-N 3.27Å; Y155-D158 CarbonylContact O-C 3.57Å; Y155-D158 PolarHBondContact O-N 3.21Å; Y155-P159 HydrophobicContact CD2-CB 4.39Å; Y155-P159 HydrophobicContact CE2-CB 3.93Å; Y155-P159 WeakPolarHBondContact O-CD 3.34Å; Y155-P159 VanDerWaalsContact O-CG 3.24Å; Y155-P159 WeakPolarHBondContact O-CG 3.39Å; Y155-P159 VanDerWaalsContact O-N 3.07Å; Y155-F162 HydrophobicContact CD2-CB 3.66Å; Y155-F162 AromaticContact CD2-CD1 3.55Å; Y155-F162 HydrophobicContact CD2-CD1 3.55Å; Y155-F162 AromaticContact CD2-CD2 3.92Å; Y155-F162 HydrophobicContact CD2-CD2 3.92Å; Y155-F162 HydrophobicContact CD2-CE1 4.1Å; Y155-F162 HydrophobicContact CD2-CE2 4.43Å; Y155-F162 AromaticContact CD2-CG 3.45Å; Y155-F162 HydrophobicContact CD2-CG 3.45Å; Y155-F162 VanDerWaalsContact CD2-CG 3.45Å; Y155-F162 HydrophobicContact CE2-CB 4.3Å; Y155-F162 AromaticContact CE2-CD1 3.73Å; Y155-F162 HydrophobicContact CE2-CD1 3.73Å; Y155-F162 HydrophobicContact CE2-CE1 4.24Å; Y155-F162 HydrophobicContact CE2-CG 4.1Å; Y155-F162 HydrophobicContact CG-CG 4.49Å; Y155-W163 HydrophobicContact CE2-CZ2 4.36Å; Y155-W163 AromaticContact CE2-NE1 3.83Å |
| 156 | N | 91.2 | Very high | 93.3 | Very high | 85 Ų | 85 | 57 Ų | 57 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.1 | -29.7 | -178.7 | -59.5 | -31.8 | 0 | 0 | 0 | 112 | Q150 S153 | Q150-N156 PolarHBondContact O-ND2 2.75Å; Q150-N156 PolarHBondContact OE1-OD1 2.03Å; S153-N156 PolarHBondContact O-N 2.81Å; S153-N156 VanDerWaalsContact O-N 3.1Å |
| 157 | S | 93.3 | Very high | 93.4 | Very high | 103 Ų | 103 | 53.4 Ų | 53.4 | 72% | 0.72 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -77.3 | -42.4 | 175.4 | -53.8 | 0 | 0 | 0 | 0 | 113.7 | S153 Y155 | S153-S157 PolarHBondContact O-N 2.81Å; S153-S157 VanDerWaalsContact O-N 3.09Å; S153-S157 PolarHBondContact O-OG 2.92Å; Y155-S157 PolarHBondContact O-N 3.27Å |
| 158 | D | 94.6 | Very high | 93.5 | Very high | 72 Ų | 72 | 62 Ų | 62 | 39% | 0.385 | 32% | 0.323 | S | S | . | . | trans | -147.3 | 84.2 | 179.5 | -171.9 | -10.8 | 0 | 0 | 0 | 112.2 | G154 Y155 K160 A161 F162 | G154-D158 PolarHBondContact O-N 3.23Å; G154-D158 VanDerWaalsContact O-N 3.17Å; Y155-D158 CarbonylContact O-C 3.57Å; Y155-D158 PolarHBondContact O-N 3.21Å; D158-K160 PolarHBondContact O-N 3.37Å; D158-K160 WeakPolarHBondContact OD1-CB 3.29Å; D158-K160 PolarHBondContact OD1-N 2.94Å; D158-K160 VanDerWaalsContact OD1-N 3.13Å; D158-A161 HydrophobicContact CB-CB 4.03Å; D158-A161 PolarHBondContact O-N 3.46Å; D158-A161 PolarHBondContact OD1-N 3.46Å; D158-A161 WeakPolarHBondContact OD2-CB 3.06Å; D158-F162 PolarHBondContact O-N 3.17Å; D158-F162 VanDerWaalsContact O-N 3.11Å | ||
| 159 | P | 92.6 | Very high | 93.6 | Very high | 55 Ų | 55 | 57.3 Ų | 57.3 | 36% | 0.357 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.3 | -31.9 | 177.6 | -23.8 | 32.1 | 0 | 0 | 0 | 112.5 | Y155 F162 W163 | Y155-P159 HydrophobicContact CD2-CB 4.39Å; Y155-P159 HydrophobicContact CE2-CB 3.93Å; Y155-P159 WeakPolarHBondContact O-CD 3.34Å; Y155-P159 VanDerWaalsContact O-CG 3.24Å; Y155-P159 WeakPolarHBondContact O-CG 3.39Å; Y155-P159 VanDerWaalsContact O-N 3.07Å; P159-F162 WeakPolarHBondContact O-CB 3.4Å; P159-F162 PolarHBondContact O-N 3.24Å; P159-W163 PolarHBondContact O-N 3.11Å; P159-W163 VanDerWaalsContact O-N 3.11Å |
| 160 | K | 93.4 | Very high | 93.7 | Very high | 158 Ų | 158 | 57.3 Ų | 57.3 | 69% | 0.687 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -71 | -40.3 | -178.1 | -172 | 179.6 | -179.2 | 176.2 | 0 | 111.1 | D158 F162 K164 | D158-K160 PolarHBondContact O-N 3.37Å; D158-K160 WeakPolarHBondContact OD1-CB 3.29Å; D158-K160 PolarHBondContact OD1-N 2.94Å; D158-K160 VanDerWaalsContact OD1-N 3.13Å; K160-F162 VanDerWaalsContact C-N 3.33Å; K160-K164 VanDerWaalsContact O-CE 3.27Å; K160-K164 WeakPolarHBondContact O-CE 3.34Å; K160-K164 PolarHBondContact O-N 3.38Å |
| 161 | A | 95.1 | Very high | 93.9 | Very high | 19 Ų | 19 | 59.2 Ų | 59.2 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.5 | -34.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | D158 K164 Q165 M189 | D158-A161 HydrophobicContact CB-CB 4.03Å; D158-A161 PolarHBondContact O-N 3.46Å; D158-A161 PolarHBondContact OD1-N 3.46Å; D158-A161 WeakPolarHBondContact OD2-CB 3.06Å; A161-K164 WeakPolarHBondContact O-CB 3.05Å; A161-K164 PolarHBondContact O-N 2.97Å; A161-Q165 WeakPolarHBondContact O-CG 3.06Å; A161-Q165 PolarHBondContact O-N 2.86Å; A161-M189 HydrophobicContact CB-CE 3.57Å |
| 162 | F | 95.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 65.9 Ų | 65.9 | 1% | 0.013 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.7 | -52.8 | 174.6 | 176.4 | -93.3 | 0 | 0 | 0 | 111 | P149 Y155 D158 P159 K160 K164 Q165 V166 A187 M189 | P149-F162 HydrophobicContact CB-CE1 3.97Å; P149-F162 HydrophobicContact CB-CE2 4.2Å; P149-F162 HydrophobicContact CB-CZ 3.75Å; P149-F162 HydrophobicContact CG-CE1 3.89Å; P149-F162 HydrophobicContact CG-CZ 3.79Å; Y155-F162 HydrophobicContact CD2-CB 3.66Å; Y155-F162 AromaticContact CD2-CD1 3.55Å; Y155-F162 HydrophobicContact CD2-CD1 3.55Å; Y155-F162 AromaticContact CD2-CD2 3.92Å; Y155-F162 HydrophobicContact CD2-CD2 3.92Å; Y155-F162 HydrophobicContact CD2-CE1 4.1Å; Y155-F162 HydrophobicContact CD2-CE2 4.43Å; Y155-F162 AromaticContact CD2-CG 3.45Å; Y155-F162 HydrophobicContact CD2-CG 3.45Å; Y155-F162 VanDerWaalsContact CD2-CG 3.45Å; Y155-F162 HydrophobicContact CE2-CB 4.3Å; Y155-F162 AromaticContact CE2-CD1 3.73Å; Y155-F162 HydrophobicContact CE2-CD1 3.73Å; Y155-F162 HydrophobicContact CE2-CE1 4.24Å; Y155-F162 HydrophobicContact CE2-CG 4.1Å; Y155-F162 HydrophobicContact CG-CG 4.49Å; D158-F162 PolarHBondContact O-N 3.17Å; D158-F162 VanDerWaalsContact O-N 3.11Å; P159-F162 WeakPolarHBondContact O-CB 3.4Å; P159-F162 PolarHBondContact O-N 3.24Å; K160-F162 VanDerWaalsContact C-N 3.33Å; F162-K164 VanDerWaalsContact C-N 3.29Å; F162-K164 PolarHBondContact O-N 2.97Å; F162-Q165 WeakPolarHBondContact O-CA 3.26Å; F162-Q165 WeakPolarHBondContact O-CB 3.19Å; F162-Q165 PolarHBondContact O-N 3.29Å; F162-V166 HydrophobicContact CD1-CG2 3.96Å; F162-V166 HydrophobicContact CE1-CG2 3.57Å; F162-V166 HydrophobicContact CE2-CG2 4.48Å; F162-V166 HydrophobicContact CZ-CG2 3.86Å; F162-V166 PolarHBondContact O-N 2.87Å; F162-A187 HydrophobicContact CD2-CB 3.44Å; F162-A187 VanDerWaalsContact CD2-CB 3.44Å; F162-A187 HydrophobicContact CE2-CB 3.43Å; F162-A187 VanDerWaalsContact CE2-CB 3.43Å; F162-A187 HydrophobicContact CG-CB 4.32Å; F162-A187 HydrophobicContact CZ-CB 4.3Å; F162-M189 VanDerWaalsContact CA-CE 3.46Å; F162-M189 VanDerWaalsContact CA-SD 3.56Å; F162-M189 HydrophobicContact CB-CE 4.15Å; F162-M189 HydrophobicContact CB-SD 3.57Å; F162-M189 VanDerWaalsContact CB-SD 3.57Å; F162-M189 HydrophobicContact CD2-CG 4.24Å; F162-M189 HydrophobicContact CD2-SD 3.94Å; F162-M189 HydrophobicContact CG-SD 4.26Å |
| 163 | W | 94.8 | Very high | 94.2 | Very high | 16 Ų | 16 | 67 Ų | 67 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.4 | -33 | -179.6 | -68.8 | 119.6 | 0 | 0 | 0 | 113.1 | I102 W117 A119 V126 V128 Y155 P159 Q165 V166 A167 L199 | I102-W163 HydrophobicContact CD1-CZ2 3.54Å; I102-W163 HydrophobicContact CG1-CZ2 3.85Å; I102-W163 PolarHBondContact O-NE1 3.4Å; W117-W163 AromaticContact CH2-CE3 3.96Å; W117-W163 HydrophobicContact CH2-CE3 3.96Å; W117-W163 AromaticContact CZ3-CE3 3.84Å; W117-W163 HydrophobicContact CZ3-CE3 3.84Å; W117-W163 HydrophobicContact CZ3-CZ3 4.1Å; A119-W163 HydrophobicContact CB-CD2 4.4Å; A119-W163 HydrophobicContact CB-CE3 4.02Å; A119-W163 HydrophobicContact CB-CH2 3.4Å; A119-W163 HydrophobicContact CB-CZ2 3.8Å; A119-W163 HydrophobicContact CB-CZ3 3.5Å; A119-W163 VanDerWaalsContact CB-CZ3 3.5Å; V126-W163 HydrophobicContact CG1-CH2 3.65Å; V126-W163 HydrophobicContact CG1-CZ2 3.87Å; V128-W163 HydrophobicContact CG2-CH2 4.07Å; V128-W163 HydrophobicContact CG2-CZ3 3.97Å; Y155-W163 HydrophobicContact CE2-CZ2 4.36Å; Y155-W163 AromaticContact CE2-NE1 3.83Å; P159-W163 PolarHBondContact O-N 3.11Å; P159-W163 VanDerWaalsContact O-N 3.11Å; W163-Q165 VanDerWaalsContact C-N 3.32Å; W163-Q165 PolarHBondContact O-N 2.85Å; W163-V166 HydrophobicContact CE3-CB 4.02Å; W163-V166 HydrophobicContact CE3-CG1 4.02Å; W163-V166 HydrophobicContact CE3-CG2 4.1Å; W163-V166 HydrophobicContact CZ3-CB 4.4Å; W163-V166 HydrophobicContact CZ3-CG1 4.06Å; W163-V166 HydrophobicContact CZ3-CG2 4.24Å; W163-V166 PolarHBondContact O-N 3.05Å; W163-A167 WeakPolarHBondContact O-CB 3.23Å; W163-A167 PolarHBondContact O-N 2.95Å; W163-L199 HydrophobicContact CZ3-CD1 4.12Å |
| 164 | K | 95.5 | Very high | 94.3 | Very high | 112 Ų | 112 | 67.1 Ų | 67.1 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 169.5 | -82.6 | 179.7 | -92.3 | 167.5 | 0 | 112.4 | K160 A161 F162 R168 | K160-K164 VanDerWaalsContact O-CE 3.27Å; K160-K164 WeakPolarHBondContact O-CE 3.34Å; K160-K164 PolarHBondContact O-N 3.38Å; A161-K164 WeakPolarHBondContact O-CB 3.05Å; A161-K164 PolarHBondContact O-N 2.97Å; F162-K164 VanDerWaalsContact C-N 3.29Å; F162-K164 PolarHBondContact O-N 2.97Å; K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 2.97Å |
| 165 | Q | 95.9 | Very high | 94.3 | Very high | 53 Ų | 53 | 70.3 Ų | 70.3 | 25% | 0.248 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72.3 | -39 | 177.1 | -68.7 | -179.4 | 9 | 0 | 0 | 111.8 | A161 F162 W163 R168 A169 A187 M189 | A161-Q165 WeakPolarHBondContact O-CG 3.06Å; A161-Q165 PolarHBondContact O-N 2.86Å; F162-Q165 WeakPolarHBondContact O-CA 3.26Å; F162-Q165 WeakPolarHBondContact O-CB 3.19Å; F162-Q165 PolarHBondContact O-N 3.29Å; W163-Q165 VanDerWaalsContact C-N 3.32Å; W163-Q165 PolarHBondContact O-N 2.85Å; Q165-R168 PolarHBondContact O-N 3.29Å; Q165-A169 PolarHBondContact O-N 3.36Å; Q165-A187 HydrophobicContact CB-CB 4.1Å; Q165-M189 VanDerWaalsContact CD-CE 3.45Å; Q165-M189 HydrophobicContact CG-CE 4.25Å; Q165-M189 VanDerWaalsContact NE2-CE 3.31Å |
| 166 | V | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 172.8 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | W117 F162 W163 R168 A169 F170 V185 A187 L199 | W117-V166 HydrophobicContact CH2-CB 4.46Å; W117-V166 HydrophobicContact CH2-CG1 3.88Å; W117-V166 HydrophobicContact CZ2-CG1 4.37Å; W117-V166 HydrophobicContact CZ3-CG1 4.12Å; F162-V166 HydrophobicContact CD1-CG2 3.96Å; F162-V166 HydrophobicContact CE1-CG2 3.57Å; F162-V166 HydrophobicContact CE2-CG2 4.48Å; F162-V166 HydrophobicContact CZ-CG2 3.86Å; F162-V166 PolarHBondContact O-N 2.87Å; W163-V166 HydrophobicContact CE3-CB 4.02Å; W163-V166 HydrophobicContact CE3-CG1 4.02Å; W163-V166 HydrophobicContact CE3-CG2 4.1Å; W163-V166 HydrophobicContact CZ3-CB 4.4Å; W163-V166 HydrophobicContact CZ3-CG1 4.06Å; W163-V166 HydrophobicContact CZ3-CG2 4.24Å; W163-V166 PolarHBondContact O-N 3.05Å; V166-R168 VanDerWaalsContact C-N 3.29Å; V166-R168 PolarHBondContact O-N 3.26Å; V166-A169 WeakPolarHBondContact O-CB 3.47Å; V166-A169 PolarHBondContact O-N 2.99Å; V166-A169 VanDerWaalsContact O-N 3.09Å; V166-F170 HydrophobicContact CG1-CD2 3.73Å; V166-F170 HydrophobicContact CG1-CE2 3.49Å; V166-F170 VanDerWaalsContact CG1-CE2 3.49Å; V166-F170 WeakPolarHBondContact O-CD2 3.2Å; V166-F170 PolarHBondContact O-N 3.39Å; V166-V185 HydrophobicContact CG1-CG1 3.89Å; V166-A187 HydrophobicContact CG2-CB 4.48Å; V166-L199 HydrophobicContact CG1-CD1 3.76Å; V166-L199 HydrophobicContact CG2-CD1 4.07Å |
| 167 | A | 95.8 | Very high | 94.4 | Very high | 35 Ų | 35 | 71.4 Ų | 71.4 | 29% | 0.289 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.7 | -44.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | W117 W163 F170 K171 | W117-A167 HydrophobicContact CZ2-CB 3.71Å; W163-A167 WeakPolarHBondContact O-CB 3.23Å; W163-A167 PolarHBondContact O-N 2.95Å; A167-F170 PolarHBondContact O-N 2.96Å; A167-K171 PolarHBondContact O-N 2.79Å; A167-K171 VanDerWaalsContact O-N 3.09Å |
| 168 | R | 95.9 | Very high | 94.3 | Very high | 187 Ų | 187 | 66.9 Ų | 66.9 | 71% | 0.706 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.4 | -38.2 | 177.2 | -69.1 | 172.8 | -173.4 | -87.2 | 1.6 | 111.8 | K164 Q165 V166 K171 K172 | K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 2.97Å; Q165-R168 PolarHBondContact O-N 3.29Å; V166-R168 VanDerWaalsContact C-N 3.29Å; V166-R168 PolarHBondContact O-N 3.26Å; R168-K171 PolarHBondContact O-N 2.94Å; R168-K172 WeakPolarHBondContact O-CB 3.42Å; R168-K172 PolarHBondContact O-N 2.87Å |
| 169 | A | 95.6 | Very high | 94.1 | Very high | 17 Ų | 17 | 69 Ų | 69 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.1 | -48.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | Q165 V166 K171 K172 M173 V185 | Q165-A169 PolarHBondContact O-N 3.36Å; V166-A169 WeakPolarHBondContact O-CB 3.47Å; V166-A169 PolarHBondContact O-N 2.99Å; V166-A169 VanDerWaalsContact O-N 3.09Å; A169-K171 VanDerWaalsContact C-N 3.32Å; A169-K171 PolarHBondContact O-N 2.94Å; A169-K172 WeakPolarHBondContact O-CB 3.21Å; A169-K172 PolarHBondContact O-N 3.09Å; A169-K172 VanDerWaalsContact O-N 3.07Å; A169-M173 WeakPolarHBondContact O-CG 3.42Å; A169-M173 PolarHBondContact O-N 3.16Å; A169-V185 HydrophobicContact CB-CG1 3.74Å |
| 170 | F | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.5 | -46.8 | 173.3 | -81.7 | -62.8 | 0 | 0 | 0 | 112.1 | F107 W117 V128 V130 Y145 V166 A167 K172 M173 R174 V177 V185 | F107-F170 HydrophobicContact CD1-CB 4.17Å; F107-F170 HydrophobicContact CE1-CB 4.05Å; F107-F170 HydrophobicContact CE1-CD1 4.41Å; F107-F170 HydrophobicContact CE1-CG 4.4Å; W117-F170 AromaticContact CD2-CD2 3.9Å; W117-F170 HydrophobicContact CD2-CD2 3.9Å; W117-F170 AromaticContact CD2-CE2 3.81Å; W117-F170 HydrophobicContact CD2-CE2 3.81Å; W117-F170 AromaticContact CE2-CD2 3.79Å; W117-F170 HydrophobicContact CE3-CD2 4.46Å; W117-F170 AromaticContact CE3-CE2 4Å; W117-F170 HydrophobicContact CE3-CE2 4Å; W117-F170 HydrophobicContact CG-CD2 4.13Å; W117-F170 HydrophobicContact CG-CE2 4.13Å; W117-F170 HydrophobicContact CZ2-CD2 4.28Å; W117-F170 HydrophobicContact CZ3-CE2 4.45Å; W117-F170 AromaticContact NE1-CD2 3.91Å; V128-F170 HydrophobicContact CG1-CE2 4.11Å; V128-F170 HydrophobicContact CG1-CZ 3.99Å; V130-F170 HydrophobicContact CG2-CE1 4.07Å; V130-F170 HydrophobicContact CG2-CZ 4.2Å; Y145-F170 HydrophobicContact CD2-CE1 4.18Å; Y145-F170 HydrophobicContact CD2-CZ 4.27Å; Y145-F170 AromaticContact CE2-CE1 3.93Å; Y145-F170 HydrophobicContact CE2-CE1 3.93Å; Y145-F170 HydrophobicContact CE2-CZ 4.47Å; Y145-F170 HydrophobicContact CG-CZ 4.46Å; V166-F170 HydrophobicContact CG1-CD2 3.73Å; V166-F170 HydrophobicContact CG1-CE2 3.49Å; V166-F170 VanDerWaalsContact CG1-CE2 3.49Å; V166-F170 WeakPolarHBondContact O-CD2 3.2Å; V166-F170 PolarHBondContact O-N 3.39Å; A167-F170 PolarHBondContact O-N 2.96Å; F170-K172 VanDerWaalsContact C-N 3.3Å; F170-K172 PolarHBondContact O-N 2.8Å; F170-M173 CarbonylContact O-C 3.54Å; F170-M173 PolarHBondContact O-N 2.8Å; F170-R174 WeakPolarHBondContact O-CA 3.37Å; F170-R174 PolarHBondContact O-N 2.04Å; F170-V177 HydrophobicContact CD1-CG1 4.28Å; F170-V177 HydrophobicContact CD1-CG2 3.94Å; F170-V177 HydrophobicContact CE1-CG1 4.32Å; F170-V185 HydrophobicContact CD1-CG2 3.97Å; F170-V185 HydrophobicContact CD2-CG1 4.09Å; F170-V185 HydrophobicContact CE1-CG1 4.43Å; F170-V185 HydrophobicContact CE1-CG2 3.61Å; F170-V185 HydrophobicContact CE2-CG1 3.98Å; F170-V185 HydrophobicContact CG-CG1 4.36Å; F170-V185 HydrophobicContact CZ-CG1 4.15Å; F170-V185 HydrophobicContact CZ-CG2 3.93Å |
| 171 | K | 95 | Very high | 93.7 | Very high | 146 Ų | 146 | 64.1 Ų | 64.1 | 64% | 0.635 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.5 | -38 | 177.5 | -166.4 | 173.8 | -174.1 | 176.8 | 0 | 112.5 | A167 R168 A169 | A167-K171 PolarHBondContact O-N 2.79Å; A167-K171 VanDerWaalsContact O-N 3.09Å; R168-K171 PolarHBondContact O-N 2.94Å; A169-K171 VanDerWaalsContact C-N 3.32Å; A169-K171 PolarHBondContact O-N 2.94Å |
| 172 | K | 94.4 | Very high | 93.3 | Very high | 192 Ų | 192 | 73.9 Ų | 73.9 | 84% | 0.835 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -68.1 | -36.8 | 178.3 | -176.7 | 178.1 | 179.3 | 178.9 | 0 | 112.4 | R168 A169 F170 | R168-K172 WeakPolarHBondContact O-CB 3.42Å; R168-K172 PolarHBondContact O-N 2.87Å; A169-K172 WeakPolarHBondContact O-CB 3.21Å; A169-K172 PolarHBondContact O-N 3.09Å; A169-K172 VanDerWaalsContact O-N 3.07Å; F170-K172 VanDerWaalsContact C-N 3.3Å; F170-K172 PolarHBondContact O-N 2.8Å |
| 173 | M | 93.6 | Very high | 93 | Very high | 28 Ų | 28 | 74.4 Ų | 74.4 | 14% | 0.138 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 23.6 | -178.6 | 71 | 179.9 | -92.1 | 0 | 0 | 113.5 | A169 F170 D175 K176 V177 A183 V185 | A169-M173 WeakPolarHBondContact O-CG 3.42Å; A169-M173 PolarHBondContact O-N 3.16Å; F170-M173 CarbonylContact O-C 3.54Å; F170-M173 PolarHBondContact O-N 2.8Å; M173-D175 PolarHBondContact O-N 2.8Å; M173-K176 HydrophobicContact CE-CB 4.32Å; M173-K176 WeakPolarHBondContact O-CA 3.14Å; M173-K176 WeakPolarHBondContact O-CB 3.19Å; M173-K176 PolarHBondContact O-N 3.05Å; M173-V177 HydrophobicContact CE-CG2 4.48Å; M173-V177 HydrophobicContact CG-CG2 4.22Å; M173-V177 WeakPolarHBondContact O-CG2 3.23Å; M173-V177 PolarHBondContact O-N 3.29Å; M173-A183 HydrophobicContact CE-CB 3.35Å; M173-A183 HydrophobicContact SD-CB 4.38Å; M173-V185 HydrophobicContact CE-CG2 4.1Å; M173-V185 HydrophobicContact SD-CG2 3.64Å |
| 174 | R | 92.6 | Very high | 92.8 | Very high | 99 Ų | 99 | 75.4 Ų | 75.4 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -46.5 | -42.1 | -170.8 | 64.8 | -171.3 | -177.2 | 178.6 | -6 | 114.1 | F107 V108 T109 F170 K176 V177 | F107-R174 HydrophobicContact CD2-CB 3.77Å; F107-R174 HydrophobicContact CE2-CB 3.95Å; V108-R174 WeakPolarHBondContact O-CD 3.34Å; T109-R174 HydrophobicContact CG2-CB 4.29Å; T109-R174 WeakPolarHBondContact CG2-O 3.26Å; F170-R174 WeakPolarHBondContact O-CA 3.37Å; F170-R174 PolarHBondContact O-N 2.04Å; R174-K176 PolarHBondContact O-N 3.38Å; R174-V177 PolarHBondContact O-N 3.5Å |
| 175 | D | 91.5 | Very high | 92.7 | Very high | 83 Ų | 83 | 70.1 Ų | 70.1 | 44% | 0.444 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -76.9 | -9 | -176 | -52.1 | -54.4 | 0 | 0 | 0 | 113.2 | S110 M173 | S110-D175 WeakPolarHBondContact CB-OD1 3.39Å; S110-D175 PolarHBondContact N-OD1 2.83Å; S110-D175 VanDerWaalsContact OG-CG 3.26Å; S110-D175 PolarHBondContact OG-OD1 2.89Å; M173-D175 PolarHBondContact O-N 2.8Å |
| 176 | K | 92.5 | Very high | 92.5 | Very high | 113 Ų | 113 | 73.5 Ų | 73.5 | 49% | 0.491 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -105.3 | -7.8 | 178.8 | -58.1 | -175.1 | -179.5 | -170.8 | 0 | 112.9 | M173 R174 V179 D180 A183 | M173-K176 HydrophobicContact CE-CB 4.32Å; M173-K176 WeakPolarHBondContact O-CA 3.14Å; M173-K176 WeakPolarHBondContact O-CB 3.19Å; M173-K176 PolarHBondContact O-N 3.05Å; R174-K176 PolarHBondContact O-N 3.38Å; K176-V179 PolarHBondContact O-N 3.27Å; K176-D180 HydrophobicContact CB-CB 4.05Å; K176-D180 PolarHBondContact O-N 2.88Å; K176-A183 HydrophobicContact CB-CB 4.4Å |
| 177 | V | 93.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 73.6 Ų | 73.6 | 6% | 0.055 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 134.3 | -176.3 | -178.5 | 0 | 0 | 0 | 0 | 110 | F107 V130 Y145 F170 M173 R174 V179 | F107-V177 HydrophobicContact CE2-CB 4.44Å; F107-V177 HydrophobicContact CE2-CG2 4.13Å; F107-V177 HydrophobicContact CZ-CB 4.03Å; F107-V177 HydrophobicContact CZ-CG1 3.93Å; F107-V177 HydrophobicContact CZ-CG2 3.79Å; V130-V177 HydrophobicContact CG1-CG1 3.86Å; V130-V177 HydrophobicContact CG2-CG1 4.39Å; Y145-V177 HydrophobicContact CE2-CG1 4.17Å; F170-V177 HydrophobicContact CD1-CG1 4.28Å; F170-V177 HydrophobicContact CD1-CG2 3.94Å; F170-V177 HydrophobicContact CE1-CG1 4.32Å; M173-V177 HydrophobicContact CE-CG2 4.48Å; M173-V177 HydrophobicContact CG-CG2 4.22Å; M173-V177 WeakPolarHBondContact O-CG2 3.23Å; M173-V177 PolarHBondContact O-N 3.29Å; R174-V177 PolarHBondContact O-N 3.5Å; V177-V179 PolarHBondContact O-N 2.59Å |
| 178 | C | 91.3 | Very high | 92.1 | Very high | 8 Ų | 8 | 82.2 Ų | 82.2 | 5% | 0.054 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 4.4 | -174 | -54.5 | 0 | 0 | 0 | 0 | 116.2 | T141 C143 Y145 | T141-C178 HydrophobicContact CG2-CB 4.23Å; C143-C178 HydrophobicContact CB-CB 3.66Å; C143-C178 WeakPolarHBondContact CB-SG 3.22Å; C143-C178 WeakPolarHBondContact SG-CA 3.18Å; C143-C178 WeakPolarHBondContact SG-CB 3.47Å; C143-C178 CovalentContact SG-SG 2.03Å; C143-C178 PolarHBondContact SG-SG 2.99Å; Y145-C178 PolarHBondContact OH-N 3.24Å |
| 179 | V | 90.3 | Very high | 92 | Very high | 115 Ų | 115 | 76 Ų | 76 | 70% | 0.697 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | -53.7 | 179.9 | -179.5 | 0 | 0 | 0 | 0 | 110.6 | K176 V177 | K176-V179 PolarHBondContact O-N 3.27Å; V177-V179 PolarHBondContact O-N 2.59Å |
| 180 | D | 89.6 | Confident | 91.8 | Very high | 54 Ų | 54 | 75.2 Ų | 75.2 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | trans | -93.9 | 108.5 | -174.6 | -173.8 | -5.1 | 0 | 0 | 0 | 111.5 | K176 R182 A183 | K176-D180 HydrophobicContact CB-CB 4.05Å; K176-D180 PolarHBondContact O-N 2.88Å; D180-R182 PolarHBondContact O-N 2.77Å; D180-R182 WeakPolarHBondContact OD1-CA 3.39Å; D180-R182 WeakPolarHBondContact OD1-CB 3.47Å; D180-R182 PolarHBondContact OD1-N 2.8Å; D180-A183 HydrophobicContact CB-CB 3.83Å; D180-A183 PolarHBondContact O-N 2.47Å; D180-A183 PolarHBondContact OD1-N 3.39Å | ||
| 181 | V | 88.5 | Confident | 91.4 | Very high | 58 Ų | 58 | 82.5 Ų | 82.5 | 35% | 0.352 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -24.9 | 177.8 | -174.9 | 0 | 0 | 0 | 0 | 112.3 | L201 R203 | V181-L201 HydrophobicContact CG2-CD2 4.26Å; V181-R203 HydrophobicContact CG1-CB 4.12Å; V181-R203 HydrophobicContact CG2-CB 4.1Å; V181-R203 HydrophobicContact CG2-CG 3.89Å |
| 182 | R | 86.8 | Confident | 91 | Very high | 224 Ų | 224 | 83.3 Ų | 83.3 | 85% | 0.845 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -18.3 | -179.5 | -59 | -179 | -178.2 | -174.8 | 1.1 | 111.9 | D180 L184 | D180-R182 PolarHBondContact O-N 2.77Å; D180-R182 WeakPolarHBondContact OD1-CA 3.39Å; D180-R182 WeakPolarHBondContact OD1-CB 3.47Å; D180-R182 PolarHBondContact OD1-N 2.8Å; R182-L184 PolarHBondContact O-N 3.22Å |
| 183 | A | 87.7 | Confident | 90.6 | Very high | 13 Ų | 13 | 75.2 Ų | 75.2 | 11% | 0.107 | 35% | 0.348 | C | S | . | . | trans | -70.9 | 121.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | M173 K176 D180 | M173-A183 HydrophobicContact CE-CB 3.35Å; M173-A183 HydrophobicContact SD-CB 4.38Å; K176-A183 HydrophobicContact CB-CB 4.4Å; D180-A183 HydrophobicContact CB-CB 3.83Å; D180-A183 PolarHBondContact O-N 2.47Å; D180-A183 PolarHBondContact OD1-N 3.39Å | ||
| 184 | L | 90.5 | Very high | 90.2 | Very high | 37 Ų | 37 | 77.2 Ų | 77.2 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.9 | -179.8 | -65.3 | 174.2 | 0 | 0 | 0 | 110.2 | R182 K186 R200 | R182-L184 PolarHBondContact O-N 3.22Å; L184-K186 HydrophobicContact CB-CD 4.45Å; L184-K186 HydrophobicContact CB-CG 3.89Å; L184-K186 PolarHBondContact O-N 2.97Å; L184-R200 HydrophobicContact CD2-CB 4.26Å; L184-R200 HydrophobicContact CD2-CG 3.48Å; L184-R200 VanDerWaalsContact CD2-CG 3.48Å |
| 185 | V | 94.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 81.6 Ų | 81.6 | 1% | 0.006 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 100.6 | 170.5 | -179 | 0 | 0 | 0 | 0 | 107.2 | Y145 V166 A169 F170 M173 L199 | Y145-V185 HydrophobicContact CD1-CG2 3.97Å; Y145-V185 HydrophobicContact CE1-CG2 3.72Å; V166-V185 HydrophobicContact CG1-CG1 3.89Å; A169-V185 HydrophobicContact CB-CG1 3.74Å; F170-V185 HydrophobicContact CD1-CG2 3.97Å; F170-V185 HydrophobicContact CD2-CG1 4.09Å; F170-V185 HydrophobicContact CE1-CG1 4.43Å; F170-V185 HydrophobicContact CE1-CG2 3.61Å; F170-V185 HydrophobicContact CE2-CG1 3.98Å; F170-V185 HydrophobicContact CG-CG1 4.36Å; F170-V185 HydrophobicContact CZ-CG1 4.15Å; F170-V185 HydrophobicContact CZ-CG2 3.93Å; M173-V185 HydrophobicContact CE-CG2 4.1Å; M173-V185 HydrophobicContact SD-CG2 3.64Å; V185-L199 HydrophobicContact CB-CB 4.01Å; V185-L199 HydrophobicContact CG1-CD1 4.35Å; V185-L199 PolarHBondContact N-O 2.95Å; V185-L199 PolarHBondContact O-N 3.22Å |
| 186 | K | 91.3 | Very high | 89.5 | Confident | 125 Ų | 125 | 80.6 Ų | 80.6 | 54% | 0.543 | 37% | 0.374 | S | S | . | . | trans | -101.5 | 129.6 | -172.2 | -61.3 | -177.1 | 179.7 | 174.6 | 0 | 111.9 | L184 N198 | L184-K186 HydrophobicContact CB-CD 4.45Å; L184-K186 HydrophobicContact CB-CG 3.89Å; L184-K186 PolarHBondContact O-N 2.97Å; K186-N198 WeakPolarHBondContact CA-OD1 3.42Å; K186-N198 WeakPolarHBondContact CG-OD1 3.35Å | ||
| 187 | A | 93 | Very high | 89.2 | Confident | 2 Ų | 2 | 75.2 Ų | 75.2 | 2% | 0.017 | 35% | 0.351 | C | S | . | . | trans | -85.6 | 127.4 | 163 | 0 | 0 | 0 | 0 | 0 | 109.1 | F162 Q165 V166 M189 C190 | F162-A187 HydrophobicContact CD2-CB 3.44Å; F162-A187 VanDerWaalsContact CD2-CB 3.44Å; F162-A187 HydrophobicContact CE2-CB 3.43Å; F162-A187 VanDerWaalsContact CE2-CB 3.43Å; F162-A187 HydrophobicContact CG-CB 4.32Å; F162-A187 HydrophobicContact CZ-CB 4.3Å; Q165-A187 HydrophobicContact CB-CB 4.1Å; V166-A187 HydrophobicContact CG2-CB 4.48Å; A187-M189 HydrophobicContact CB-CG 4.07Å; A187-M189 PolarHBondContact O-N 3.18Å; A187-C190 CarbonylContact O-C 3.5Å; A187-C190 WeakPolarHBondContact O-CA 3.43Å; A187-C190 PolarHBondContact O-N 3.36Å | ||
| 188 | R | 91 | Very high | 89.1 | Confident | 215 Ų | 215 | 75.5 Ų | 75.5 | 81% | 0.811 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -58.7 | -32.9 | -179.3 | -176 | 177.2 | 173.4 | 175.4 | -1.5 | 112.5 | C190 K191 | R188-C190 PolarHBondContact O-N 3.14Å; R188-K191 WeakPolarHBondContact O-CB 3.33Å; R188-K191 PolarHBondContact O-N 3.3Å |
| 189 | M | 92.7 | Very high | 89.3 | Confident | 56 Ų | 56 | 75.1 Ų | 75.1 | 28% | 0.276 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -64.6 | -19.2 | 175.3 | 64.4 | 179.6 | 63.6 | 0 | 0 | 113.5 | A161 F162 Q165 A187 | A161-M189 HydrophobicContact CB-CE 3.57Å; F162-M189 VanDerWaalsContact CA-CE 3.46Å; F162-M189 VanDerWaalsContact CA-SD 3.56Å; F162-M189 HydrophobicContact CB-CE 4.15Å; F162-M189 HydrophobicContact CB-SD 3.57Å; F162-M189 VanDerWaalsContact CB-SD 3.57Å; F162-M189 HydrophobicContact CD2-CG 4.24Å; F162-M189 HydrophobicContact CD2-SD 3.94Å; F162-M189 HydrophobicContact CG-SD 4.26Å; Q165-M189 VanDerWaalsContact CD-CE 3.45Å; Q165-M189 HydrophobicContact CG-CE 4.25Å; Q165-M189 VanDerWaalsContact NE2-CE 3.31Å; A187-M189 HydrophobicContact CB-CG 4.07Å; A187-M189 PolarHBondContact O-N 3.18Å |
| 190 | C | 91.3 | Very high | 89.4 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.007 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -107.2 | 25.2 | 178.6 | -57 | 0 | 0 | 0 | 0 | 112.3 | C152 A187 R188 H192 A193 | C152-C190 HydrophobicContact CB-CB 3.77Å; C152-C190 WeakPolarHBondContact CB-SG 3.43Å; C152-C190 WeakPolarHBondContact SG-CA 3.26Å; C152-C190 WeakPolarHBondContact SG-CB 3.32Å; C152-C190 CovalentContact SG-SG 2.04Å; C152-C190 PolarHBondContact SG-SG 3.01Å; A187-C190 CarbonylContact O-C 3.5Å; A187-C190 WeakPolarHBondContact O-CA 3.43Å; A187-C190 PolarHBondContact O-N 3.36Å; R188-C190 PolarHBondContact O-N 3.14Å; C190-H192 PolarHBondContact O-N 2.97Å; C190-A193 HydrophobicContact CB-CB 3.87Å; C190-A193 WeakPolarHBondContact O-CB 3.49Å; C190-A193 PolarHBondContact O-N 2.88Å; C190-A193 VanDerWaalsContact O-N 3.13Å |
| 191 | K | 87 | Confident | 89.7 | Confident | 153 Ų | 153 | 73.7 Ų | 73.7 | 67% | 0.665 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -30.7 | -177.1 | 89.2 | 177.3 | -171.2 | -179.7 | 0 | 113.4 | R188 | R188-K191 WeakPolarHBondContact O-CB 3.33Å; R188-K191 PolarHBondContact O-N 3.3Å |
| 192 | H | 86.6 | Confident | 89.9 | Confident | 163 Ų | 163 | 73 Ų | 73 | 76% | 0.755 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -2 | -179.5 | -65.4 | -60.7 | 0 | 0 | 0 | 113.1 | C190 | C190-H192 PolarHBondContact O-N 2.97Š|
| 193 | A | 86.9 | Confident | 90 | Very high | 23 Ų | 23 | 70.7 Ų | 70.7 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -72.1 | 158.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | C152 C190 A197 | C152-A193 HydrophobicContact CB-CB 3.81Å; C190-A193 HydrophobicContact CB-CB 3.87Å; C190-A193 WeakPolarHBondContact O-CB 3.49Å; C190-A193 PolarHBondContact O-N 2.88Å; C190-A193 VanDerWaalsContact O-N 3.13Å; A193-A197 HydrophobicContact CB-CB 3.51Å |
| 194 | P | 85.5 | Confident | 90.1 | Very high | 69 Ų | 69 | 76.6 Ų | 76.6 | 45% | 0.448 | 34% | 0.343 | S | S | . | . | trans | -58.7 | 159.7 | 174.7 | 27.4 | -36.7 | 0 | 0 | 0 | 111.4 | D196 A197 | P194-D196 WeakPolarHBondContact CB-OD1 3.26Å; P194-D196 VanDerWaalsContact CG-OD1 3.24Å; P194-D196 WeakPolarHBondContact CG-OD1 3.29Å; P194-D196 PolarHBondContact O-N 3.13Å; P194-D196 VanDerWaalsContact O-N 3.17Å; P194-A197 WeakPolarHBondContact O-CB 3.34Å; P194-A197 PolarHBondContact O-N 2.92Å | ||
| 195 | R | 84.3 | Confident | 90 | Very high | 192 Ų | 192 | 75.8 Ų | 75.8 | 73% | 0.725 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -63.1 | -27.5 | -171.1 | -70.4 | -158.3 | -171.5 | -130.4 | 6 | 113.1 | A197 N198 | R195-A197 VanDerWaalsContact C-N 3.28Å; R195-N198 PolarHBondContact O-N 2.97Å |
| 196 | D | 83.9 | Confident | 89.9 | Confident | 62 Ų | 62 | 77.8 Ų | 77.8 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -72.7 | -17 | 176.9 | 65.6 | -31 | 0 | 0 | 0 | 113.4 | G147 R148 P194 N198 | G147-D196 CarbonylContact C-O 3.55Å; G147-D196 WeakPolarHBondContact CA-O 3.47Å; R148-D196 PolarHBondContact N-O 2.95Å; R148-D196 IonicContact NH1-OD2 2.77Å; R148-D196 PolarHBondContact NH1-OD2 3.3Å; P194-D196 WeakPolarHBondContact CB-OD1 3.26Å; P194-D196 VanDerWaalsContact CG-OD1 3.24Å; P194-D196 WeakPolarHBondContact CG-OD1 3.29Å; P194-D196 PolarHBondContact O-N 3.13Å; P194-D196 VanDerWaalsContact O-N 3.17Å; D196-N198 PolarHBondContact O-N 3.45Å |
| 197 | A | 88.2 | Confident | 89.8 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -64.6 | -25.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R148 S151 C152 A193 P194 R195 | R148-A197 WeakPolarHBondContact O-CA 3.36Å; S151-A197 WeakPolarHBondContact OG-CA 3.26Å; S151-A197 WeakPolarHBondContact OG-CB 3.22Å; C152-A197 HydrophobicContact CB-CB 4.23Å; A193-A197 HydrophobicContact CB-CB 3.51Å; P194-A197 WeakPolarHBondContact O-CB 3.34Å; P194-A197 PolarHBondContact O-N 2.92Å; R195-A197 VanDerWaalsContact C-N 3.28Å |
| 198 | N | 91.4 | Very high | 89.5 | Confident | 14 Ų | 14 | 88.4 Ų | 88.4 | 8% | 0.075 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -90.8 | 152.1 | -179.2 | -62.3 | -88.9 | 0 | 0 | 0 | 110.4 | K186 R195 D196 | K186-N198 WeakPolarHBondContact CA-OD1 3.42Å; K186-N198 WeakPolarHBondContact CG-OD1 3.35Å; R195-N198 PolarHBondContact O-N 2.97Å; D196-N198 PolarHBondContact O-N 3.45Å |
| 199 | L | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 129.3 | -179.3 | -65 | 170.1 | 0 | 0 | 0 | 110.4 | V128 R146 W163 V166 V185 | V128-L199 HydrophobicContact CG2-CD1 3.82Å; V128-L199 HydrophobicContact CG2-CD2 3.92Å; R146-L199 WeakPolarHBondContact O-CA 3.32Å; W163-L199 HydrophobicContact CZ3-CD1 4.12Å; V166-L199 HydrophobicContact CG1-CD1 3.76Å; V166-L199 HydrophobicContact CG2-CD1 4.07Å; V185-L199 HydrophobicContact CB-CB 4.01Å; V185-L199 HydrophobicContact CG1-CD1 4.35Å; V185-L199 PolarHBondContact N-O 2.95Å; V185-L199 PolarHBondContact O-N 3.22Å |
| 200 | R | 93.7 | Very high | 87.9 | Confident | 131 Ų | 131 | 83.4 Ų | 83.4 | 49% | 0.494 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 140.9 | -179.7 | -47.9 | -168.1 | 58.7 | -174.7 | -5 | 110.3 | Y145 R146 L184 D202 | Y145-R200 CarbonylContact C-O 3.6Å; Y145-R200 WeakPolarHBondContact CA-O 3.39Å; Y145-R200 VanDerWaalsContact CD1-C 3.44Å; R146-R200 PolarHBondContact N-O 2.94Å; R146-R200 PolarHBondContact O-N 3.45Å; L184-R200 HydrophobicContact CD2-CB 4.26Å; L184-R200 HydrophobicContact CD2-CG 3.48Å; L184-R200 VanDerWaalsContact CD2-CG 3.48Å; R200-D202 PolarHBondContact O-N 3.4Å |
| 201 | L | 94.8 | Very high | 86.2 | Confident | 9 Ų | 9 | 86.5 Ų | 86.5 | 5% | 0.047 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 127.5 | 174 | 179.3 | 60.3 | 0 | 0 | 0 | 110 | C143 Y145 V181 R203 V206 | C143-L201 HydrophobicContact CB-CD1 3.63Å; C143-L201 VanDerWaalsContact SG-CD1 3.55Å; Y145-L201 HydrophobicContact CD1-CB 4.14Å; Y145-L201 VanDerWaalsContact CD1-N 3.33Å; Y145-L201 HydrophobicContact CD2-CD1 4.25Å; Y145-L201 HydrophobicContact CE1-CB 3.74Å; Y145-L201 HydrophobicContact CE2-CD1 3.89Å; V181-L201 HydrophobicContact CG2-CD2 4.26Å; L201-R203 PolarHBondContact O-N 2.85Å; L201-V206 HydrophobicContact CD1-CG2 4.19Å; L201-V206 HydrophobicContact CD2-CG2 4.29Å |
| 202 | D | 92.6 | Very high | 84.3 | Confident | 43 Ų | 43 | 82.3 Ų | 82.3 | 23% | 0.23 | 41% | 0.413 | C | S | . | . | trans | -78.5 | 108.5 | 166.7 | -176.5 | -13.2 | 0 | 0 | 0 | 108.3 | E144 R146 R200 N204 S205 | E144-D202 PolarHBondContact O-N 3.32Å; R146-D202 IonicContact CZ-OD2 3.46Å; R146-D202 IonicContact NE-OD2 3.17Å; R146-D202 IonicContact NH2-OD2 3.7Å; R200-D202 PolarHBondContact O-N 3.4Å; D202-N204 PolarHBondContact O-N 3.33Å; D202-N204 VanDerWaalsContact O-N 3.12Å; D202-N204 PolarHBondContact OD1-N 3.38Å; D202-N204 VanDerWaalsContact OD1-N 3.13Å; D202-S205 WeakPolarHBondContact O-CB 3.35Å; D202-S205 PolarHBondContact O-N 2.88Å; D202-S205 PolarHBondContact O-OG 2.92Å | ||
| 203 | R | 89.4 | Confident | 82.4 | Confident | 176 Ų | 176 | 80.2 Ų | 80.2 | 66% | 0.664 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -54.5 | -35.1 | -175.6 | -173.2 | 177.1 | 79.1 | 177 | 5.8 | 112.5 | V181 L201 S205 | V181-R203 HydrophobicContact CG1-CB 4.12Å; V181-R203 HydrophobicContact CG2-CB 4.1Å; V181-R203 HydrophobicContact CG2-CG 3.89Å; L201-R203 PolarHBondContact O-N 2.85Å; R203-S205 VanDerWaalsContact C-N 3.26Å; R203-S205 PolarHBondContact O-N 3.37Å |
| 204 | N | 90 | Very high | 80.3 | Confident | 136 Ų | 136 | 86 Ų | 86 | 73% | 0.727 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -84 | -6.8 | -174.1 | -61.4 | -5 | 0 | 0 | 0 | 112.2 | D202 | D202-N204 PolarHBondContact O-N 3.33Å; D202-N204 VanDerWaalsContact O-N 3.12Å; D202-N204 PolarHBondContact OD1-N 3.38Å; D202-N204 VanDerWaalsContact OD1-N 3.13Å |
| 205 | S | 89.1 | Confident | 78.1 | Confident | 20 Ų | 20 | 88 Ų | 88 | 14% | 0.14 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -89.7 | -8.8 | -178.6 | 73.9 | 0 | 0 | 0 | 0 | 114.3 | E144 D202 R203 K207 | E144-S205 WeakPolarHBondContact CB-OG 3Å; E144-S205 PolarHBondContact N-OG 3.34Å; E144-S205 PolarHBondContact O-OG 3.35Å; D202-S205 WeakPolarHBondContact O-CB 3.35Å; D202-S205 PolarHBondContact O-N 2.88Å; D202-S205 PolarHBondContact O-OG 2.92Å; R203-S205 VanDerWaalsContact C-N 3.26Å; R203-S205 PolarHBondContact O-N 3.37Å; S205-K207 PolarHBondContact O-N 3.26Å |
| 206 | V | 91.1 | Very high | 76.1 | Confident | 43 Ų | 43 | 84.3 Ų | 84.3 | 26% | 0.261 | 46% | 0.459 | S | S | . | . | trans | -71.7 | 116.4 | -176.6 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | G142 C143 L201 | G142-V206 CarbonylContact O-C 3.59Å; G142-V206 WeakPolarHBondContact O-CA 3.35Å; C143-V206 HydrophobicContact CB-CG2 3.96Å; L201-V206 HydrophobicContact CD1-CG2 4.19Å; L201-V206 HydrophobicContact CD2-CG2 4.29Å | ||
| 207 | K | 89.4 | Confident | 74.2 | Confident | 155 Ų | 155 | 87.2 Ų | 87.2 | 67% | 0.674 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 128.6 | 177.8 | -62.9 | -178.6 | -177 | -171.2 | 0 | 109 | T141 G142 S205 | T141-K207 CarbonylContact C-O 3.55Å; T141-K207 VanDerWaalsContact CA-O 3.3Å; T141-K207 WeakPolarHBondContact CA-O 3.22Å; G142-K207 PolarHBondContact N-O 3.44Å; G142-K207 PolarHBondContact O-N 2.93Å; S205-K207 PolarHBondContact O-N 3.26Å |
| 208 | R | 87.7 | Confident | 72 | Confident | 195 Ų | 195 | 93.8 Ų | 93.8 | 74% | 0.736 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 128.9 | 173.1 | -102.5 | 175.9 | -93.5 | 145.9 | -5.5 | 108.6 | T141 | T141-R208 HydrophobicContact CG2-CG 3.93Å; T141-R208 WeakPolarHBondContact OG1-CG 3.16Å |
| 209 | S | 79.8 | Confident | 69.4 | Low | 77 Ų | 77 | 101.5 Ų | 101.5 | 54% | 0.538 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126 | 114.2 | 173.9 | -59.2 | 0 | 0 | 0 | 0 | 107.6 | K140 | K140-S209 PolarHBondContact N-O 3.22Å; K140-S209 PolarHBondContact O-N 2.9Å |
| 210 | T | 68.3 | Low | 67.4 | Low | 90 Ų | 90 | 107 Ų | 107 | 55% | 0.552 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 120.3 | 168.5 | -55.8 | 0 | 0 | 0 | 0 | 106.5 | V138 N139 A212 | V138-T210 HydrophobicContact CG1-CG2 4.44Å; V138-T210 CarbonylContact O-C 3.56Å; V138-T210 VanDerWaalsContact O-CA 3.29Å; V138-T210 WeakPolarHBondContact O-CA 3.33Å; N139-T210 VanDerWaalsContact OD1-CG2 3.23Å; N139-T210 WeakPolarHBondContact OD1-CG2 3.34Å; N139-T210 PolarHBondContact OD1-OG1 3.5Å; T210-A212 PolarHBondContact O-N 2.94Å |
| 211 | A | 56.1 | Low | 64.5 | Low | 66 Ų | 66 | 106.8 Ų | 106.8 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | trans | -70.7 | 87.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | V138 | V138-A211 HydrophobicContact CG1-CB 4.26Å; V138-A211 VanDerWaalsContact CG1-O 3.26Å; V138-A211 WeakPolarHBondContact CG1-O 3.4Å; V138-A211 PolarHBondContact O-N 2.87Å | ||
| 212 | A | 46.9 | Very low | 62.3 | Low | 65 Ų | 65 | 112.4 Ų | 112.4 | 54% | 0.537 | 65% | 0.646 | S | S | . | * | trans | -72.3 | 145.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | T210 | T210-A212 PolarHBondContact O-N 2.94Š| ||
| 213 | P | 46.6 | Very low | 59.7 | Low | 118 Ų | 118 | 114.8 Ų | 114.8 | 77% | 0.766 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -59.6 | 136.2 | 156.9 | -1.7 | 16.5 | 0 | 0 | 0 | 107.7 | T215 | P213-T215 PolarHBondContact O-N 3.44Š|
| 214 | T | 43.5 | Very low | 57.3 | Low | 145 Ų | 145 | 110.7 Ų | 110.7 | 89% | 0.89 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -4.5 | 89.2 | 169.5 | -50.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 215 | T | 39.6 | Very low | 55 | Low | 112 Ų | 112 | 109.3 Ų | 109.3 | 69% | 0.687 | 68% | 0.675 | S | S | * | * | trans | -171.3 | 122.3 | 148.4 | -52.7 | 0 | 0 | 0 | 0 | 107 | P213 | P213-T215 PolarHBondContact O-N 3.44Š| ||
| 216 | P | 42.8 | Very low | 52.8 | Low | 114 Ų | 114 | 114.1 Ų | 114.1 | 74% | 0.74 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 135.8 | -178.4 | 26.6 | -30.9 | 0 | 0 | 0 | 111.9 | V218 | P216-V218 PolarHBondContact O-N 2.92Š|
| 217 | P | 42.4 | Very low | 50.7 | Low | 122 Ų | 122 | 120.5 Ų | 120.5 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 119.1 | 173.8 | 30.1 | -29.8 | 0 | 0 | 0 | 110.2 | Q219 | P217-Q219 PolarHBondContact O-N 2.86Š|
| 218 | V | 43.4 | Very low | 48.8 | Very low | 138 Ų | 138 | 122 Ų | 122 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 119.3 | 165.6 | 176.6 | 0 | 0 | 0 | 0 | 108.9 | P216 | P216-V218 PolarHBondContact O-N 2.92Š|
| 219 | Q | 36.8 | Very low | 47 | Very low | 176 Ų | 176 | 116 Ų | 116 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | trans | -122.5 | 138.2 | 154 | -90 | -169.5 | -25.2 | 0 | 0 | 109.8 | P217 T221 | P217-Q219 PolarHBondContact O-N 2.86Å; Q219-T221 PolarHBondContact O-N 3.44Å | ||
| 220 | P | 51.1 | Low | 45.5 | Very low | 117 Ų | 117 | 117.4 Ų | 117.4 | 76% | 0.76 | 72% | 0.723 | S | S | * | * | trans | -88.5 | 111.8 | -169.2 | 34 | -29.4 | 0 | 0 | 0 | 109.7 | ||||
| 221 | T | 33.6 | Very low | 44.7 | Very low | 126 Ų | 126 | 120.3 Ų | 120.3 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -142.4 | 112.3 | 154.5 | 45.8 | 0 | 0 | 0 | 0 | 108.5 | Q219 A223 | Q219-T221 PolarHBondContact O-N 3.44Å; T221-A223 PolarHBondContact O-N 2.74Å | ||
| 222 | S | 48.1 | Very low | 44.4 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 89% | 0.888 | 74% | 0.738 | S | S | * | * | trans | -32.3 | 104.4 | 163.3 | 51 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 223 | A | 38 | Very low | 44.8 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -126.7 | 102.5 | 158.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | T221 | T221-A223 PolarHBondContact O-N 2.74Š| ||
| 224 | A | 38.5 | Very low | 45.1 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | trans | -45.9 | 143 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V226 | A224-V226 PolarHBondContact O-N 3.24Š| ||
| 225 | C | 42.6 | Very low | 45.7 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | trans | -45.8 | 99.4 | 173.8 | -162.8 | 0 | 0 | 0 | 0 | 110.7 | K227 | C225-K227 PolarHBondContact O-N 2.97Š| ||
| 226 | V | 43.6 | Very low | 46.4 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 74% | 0.739 | 71% | 0.713 | S | S | * | * | trans | -75.5 | 123.3 | 173.2 | 179.6 | 0 | 0 | 0 | 0 | 107 | A224 R228 | A224-V226 PolarHBondContact O-N 3.24Å; V226-R228 PolarHBondContact O-N 2.94Å | ||
| 227 | K | 45.2 | Very low | 47.2 | Very low | 177 Ų | 177 | 129.8 Ų | 129.8 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | -53 | 132.1 | -173.7 | -126.9 | 173.4 | -179.2 | 175.6 | 0 | 111.1 | C225 A229 D230 | C225-K227 PolarHBondContact O-N 2.97Å; K227-A229 PolarHBondContact O-N 3.48Å; K227-D230 PolarHBondContact O-N 2.91Å | ||
| 228 | R | 50.2 | Low | 48.1 | Very low | 185 Ų | 185 | 132.3 Ų | 132.3 | 70% | 0.698 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -46.8 | -10.8 | 178.9 | -74.3 | 177.8 | 168.6 | 88.8 | -1.6 | 117.1 | V226 | V226-R228 PolarHBondContact O-N 2.94Å |
| 229 | A | 49.7 | Very low | 49.3 | Very low | 70 Ų | 70 | 126.6 Ų | 126.6 | 58% | 0.579 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -80.4 | -36 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K227 | K227-A229 PolarHBondContact O-N 3.48Å |
| 230 | D | 48.9 | Very low | 50.5 | Low | 107 Ų | 107 | 123.1 Ų | 123.1 | 57% | 0.572 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -79.4 | -35.4 | -176.2 | -76.9 | -31.7 | 0 | 0 | 0 | 112.5 | K227 R232 R233 T234 | K227-D230 PolarHBondContact O-N 2.91Å; D230-R232 VanDerWaalsContact C-N 3.26Å; D230-R232 PolarHBondContact O-N 3.04Å; D230-R233 PolarHBondContact O-N 3.46Å; D230-T234 PolarHBondContact O-N 3.32Å; D230-T234 PolarHBondContact O-OG1 3.29Å |
| 231 | Q | 50.4 | Low | 50.9 | Low | 151 Ų | 151 | 123.2 Ų | 123.2 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66 | -29.4 | 178 | -123 | -161.4 | -11.6 | 0 | 0 | 113 | T234 A235 | Q231-T234 PolarHBondContact O-N 3.03Å; Q231-A235 WeakPolarHBondContact O-CB 3.4Å; Q231-A235 PolarHBondContact O-N 3.48Å |
| 232 | R | 51.3 | Low | 52.3 | Low | 189 Ų | 189 | 123.3 Ų | 123.3 | 71% | 0.713 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.6 | -38.3 | -178.6 | -149.1 | 171.2 | -173.9 | 167.3 | 1.8 | 111.5 | D230 A235 D236 | D230-R232 VanDerWaalsContact C-N 3.26Å; D230-R232 PolarHBondContact O-N 3.04Å; R232-A235 PolarHBondContact O-N 3.31Å; R232-D236 PolarHBondContact O-N 3.45Å; R232-D236 VanDerWaalsContact O-N 3.12Å |
| 233 | R | 53.7 | Low | 53 | Low | 195 Ų | 195 | 120 Ų | 120 | 74% | 0.736 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.2 | -39.2 | 174.7 | -83.3 | -174.7 | 174.4 | 162.4 | -2.2 | 112.9 | D230 A235 | D230-R233 PolarHBondContact O-N 3.46Å; R233-A235 VanDerWaalsContact C-N 3.35Å |
| 234 | T | 53.9 | Low | 54.2 | Low | 99 Ų | 99 | 120.2 Ų | 120.2 | 61% | 0.607 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.2 | -31.4 | 176.4 | -47.2 | 0 | 0 | 0 | 0 | 112.2 | D230 Q231 | D230-T234 PolarHBondContact O-N 3.32Å; D230-T234 PolarHBondContact O-OG1 3.29Å; Q231-T234 PolarHBondContact O-N 3.03Å |
| 235 | A | 55.2 | Low | 55.6 | Low | 43 Ų | 43 | 119.7 Ų | 119.7 | 36% | 0.355 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -73.7 | -34.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q231 R232 R233 E237 F238 C239 | Q231-A235 WeakPolarHBondContact O-CB 3.4Å; Q231-A235 PolarHBondContact O-N 3.48Å; R232-A235 PolarHBondContact O-N 3.31Å; R233-A235 VanDerWaalsContact C-N 3.35Å; A235-E237 VanDerWaalsContact C-N 3.26Å; A235-E237 PolarHBondContact O-N 2.94Å; A235-F238 PolarHBondContact O-N 3.25Å; A235-F238 VanDerWaalsContact O-N 3.11Å; A235-C239 PolarHBondContact O-N 3.08Å |
| 236 | D | 54.9 | Low | 56.9 | Low | 123 Ų | 123 | 115.3 Ų | 115.3 | 66% | 0.658 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.8 | -27.8 | 178.8 | -78.2 | -20.9 | 0 | 0 | 0 | 112.8 | R232 | R232-D236 PolarHBondContact O-N 3.45Å; R232-D236 VanDerWaalsContact O-N 3.12Å |
| 237 | E | 59.8 | Low | 58 | Low | 170 Ų | 170 | 112.4 Ų | 112.4 | 79% | 0.794 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -75.6 | -27.2 | 174 | -67.1 | -172.7 | 174.6 | 0 | 0 | 112.9 | A235 | A235-E237 VanDerWaalsContact C-N 3.26Å; A235-E237 PolarHBondContact O-N 2.94Å |
| 238 | F | 61.2 | Low | 59.1 | Low | 174 Ų | 174 | 110.7 Ų | 110.7 | 76% | 0.763 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -92.5 | -27.2 | -175 | -132.2 | -89.8 | 0 | 0 | 0 | 113.2 | A235 | A235-F238 PolarHBondContact O-N 3.25Å; A235-F238 VanDerWaalsContact O-N 3.11Å |
| 239 | C | 69 | Low | 60 | Low | 18 Ų | 18 | 107.3 Ų | 107.3 | 12% | 0.122 | 57% | 0.571 | C | S | . | * | trans | -104.6 | 56.7 | -177.7 | -72.8 | 0 | 0 | 0 | 0 | 111.9 | A235 C246 | A235-C239 PolarHBondContact O-N 3.08Å; C239-C246 HydrophobicContact CB-CB 3.69Å; C239-C246 WeakPolarHBondContact CB-SG 3.41Å; C239-C246 WeakPolarHBondContact SG-CB 3.28Å; C239-C246 CovalentContact SG-SG 2.04Å; C239-C246 PolarHBondContact SG-SG 3.36Å | ||
| 240 | S | 62.3 | Low | 60.9 | Low | 104 Ų | 104 | 108.4 Ų | 108.4 | 73% | 0.727 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -68.6 | -55.1 | -179.8 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 241 | S | 58.8 | Low | 61.4 | Low | 118 Ų | 118 | 107.4 Ų | 107.4 | 83% | 0.825 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -102.8 | 4.4 | -170.2 | -165.4 | 0 | 0 | 0 | 0 | 115.7 | ||
| 242 | W | 64.1 | Low | 61.9 | Low | 129 Ų | 129 | 106.3 Ų | 106.3 | 49% | 0.489 | 56% | 0.563 | S | S | . | * | trans | -144 | 28.6 | -174.6 | 70.2 | -54 | 0 | 0 | 0 | 112.2 | S244 V245 C246 | W242-S244 PolarHBondContact O-N 2.79Å; W242-S244 VanDerWaalsContact O-N 3.11Å; W242-V245 HydrophobicContact CE3-CB 3.99Å; W242-V245 HydrophobicContact CE3-CG1 3.95Å; W242-V245 HydrophobicContact CZ3-CG1 4.22Å; W242-V245 PolarHBondContact O-N 3.44Å; W242-C246 HydrophobicContact CD2-CB 3.99Å; W242-C246 HydrophobicContact CE3-CB 4.2Å; W242-C246 HydrophobicContact CG-CB 4.5Å; W242-C246 HydrophobicContact CH2-CB 4.36Å; W242-C246 HydrophobicContact CZ2-CB 4.16Å; W242-C246 HydrophobicContact CZ3-CB 4.38Å; W242-C246 WeakPolarHBondContact O-CB 3.38Å; W242-C246 PolarHBondContact O-N 2.98Å | ||
| 243 | A | 62.2 | Low | 62.4 | Low | 56 Ų | 56 | 102.7 Ų | 102.7 | 46% | 0.463 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -53.3 | -34.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A247 | A243-A247 WeakPolarHBondContact O-CB 3.26Å; A243-A247 PolarHBondContact O-N 2.82Å |
| 244 | S | 63.7 | Low | 62.2 | Low | 99 Ų | 99 | 99.1 Ų | 99.1 | 69% | 0.692 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.1 | -38.6 | 177.6 | 48.4 | 0 | 0 | 0 | 0 | 113.4 | W242 F248 | W242-S244 PolarHBondContact O-N 2.79Å; W242-S244 VanDerWaalsContact O-N 3.11Å; S244-F248 WeakPolarHBondContact O-CB 3.45Å; S244-F248 PolarHBondContact O-N 2.89Å |
| 245 | V | 67.3 | Low | 61.9 | Low | 78 Ų | 78 | 98.8 Ų | 98.8 | 47% | 0.473 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -79.7 | -39 | 177.6 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | W242 F248 F249 | W242-V245 HydrophobicContact CE3-CB 3.99Å; W242-V245 HydrophobicContact CE3-CG1 3.95Å; W242-V245 HydrophobicContact CZ3-CG1 4.22Å; W242-V245 PolarHBondContact O-N 3.44Å; V245-F248 PolarHBondContact O-N 3.26Å; V245-F249 WeakPolarHBondContact O-CB 3.5Å; V245-F249 PolarHBondContact O-N 3.42Å |
| 246 | C | 70.2 | Confident | 61.3 | Low | 15 Ų | 15 | 105.6 Ų | 105.6 | 10% | 0.101 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -63.9 | -42.8 | 176.3 | 178 | 0 | 0 | 0 | 0 | 111.8 | C239 W242 F249 M250 | C239-C246 HydrophobicContact CB-CB 3.69Å; C239-C246 WeakPolarHBondContact CB-SG 3.41Å; C239-C246 WeakPolarHBondContact SG-CB 3.28Å; C239-C246 CovalentContact SG-SG 2.04Å; C239-C246 PolarHBondContact SG-SG 3.36Å; W242-C246 HydrophobicContact CD2-CB 3.99Å; W242-C246 HydrophobicContact CE3-CB 4.2Å; W242-C246 HydrophobicContact CG-CB 4.5Å; W242-C246 HydrophobicContact CH2-CB 4.36Å; W242-C246 HydrophobicContact CZ2-CB 4.16Å; W242-C246 HydrophobicContact CZ3-CB 4.38Å; W242-C246 WeakPolarHBondContact O-CB 3.38Å; W242-C246 PolarHBondContact O-N 2.98Å; C246-F249 PolarHBondContact O-N 2.87Å; C246-M250 VanDerWaalsContact O-CB 3.29Å; C246-M250 WeakPolarHBondContact O-CB 3.48Å; C246-M250 VanDerWaalsContact O-CG 3.24Å; C246-M250 WeakPolarHBondContact O-CG 3.31Å; C246-M250 PolarHBondContact O-N 3.36Å |
| 247 | A | 65.9 | Low | 60.7 | Low | 61 Ų | 61 | 107.5 Ų | 107.5 | 50% | 0.504 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66 | -41.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A243 S251 | A243-A247 WeakPolarHBondContact O-CB 3.26Å; A243-A247 PolarHBondContact O-N 2.82Å; A247-S251 VanDerWaalsContact O-CB 3.28Å; A247-S251 WeakPolarHBondContact O-CB 3.4Å; A247-S251 PolarHBondContact O-N 3.04Å |
| 248 | F | 69.6 | Low | 59.9 | Low | 140 Ų | 140 | 107.7 Ų | 107.7 | 61% | 0.614 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.6 | -45.6 | 175.6 | -179.8 | -97.9 | 0 | 0 | 0 | 111.5 | S244 V245 S251 M252 | S244-F248 WeakPolarHBondContact O-CB 3.45Å; S244-F248 PolarHBondContact O-N 2.89Å; V245-F248 PolarHBondContact O-N 3.26Å; F248-S251 PolarHBondContact O-N 3.49Å; F248-M252 PolarHBondContact O-N 2.95Å |
| 249 | F | 68.5 | Low | 59.8 | Low | 114 Ų | 114 | 104.4 Ų | 104.4 | 50% | 0.5 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.4 | -38.9 | -179.4 | -141.6 | -89.9 | 0 | 0 | 0 | 112.4 | V245 C246 S251 M252 L253 | V245-F249 WeakPolarHBondContact O-CB 3.5Å; V245-F249 PolarHBondContact O-N 3.42Å; C246-F249 PolarHBondContact O-N 2.87Å; F249-S251 VanDerWaalsContact C-N 3.33Å; F249-M252 PolarHBondContact O-N 3.39Å; F249-L253 HydrophobicContact CD1-CD1 3.75Å; F249-L253 HydrophobicContact CD1-CG 4.18Å; F249-L253 HydrophobicContact CE1-CD1 4.12Å; F249-L253 HydrophobicContact CE1-CG 4.42Å; F249-L253 WeakPolarHBondContact O-CB 3.32Å; F249-L253 VanDerWaalsContact O-CG 3.32Å; F249-L253 WeakPolarHBondContact O-CG 3.42Å; F249-L253 PolarHBondContact O-N 2.95Å |
| 250 | M | 67.2 | Low | 59.3 | Low | 94 Ų | 94 | 108.9 Ų | 108.9 | 46% | 0.463 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.5 | -33 | 173.9 | -74 | -68 | 116.7 | 0 | 0 | 112.2 | C246 M252 L253 Q254 | C246-M250 VanDerWaalsContact O-CB 3.29Å; C246-M250 WeakPolarHBondContact O-CB 3.48Å; C246-M250 VanDerWaalsContact O-CG 3.24Å; C246-M250 WeakPolarHBondContact O-CG 3.31Å; C246-M250 PolarHBondContact O-N 3.36Å; M250-M252 VanDerWaalsContact C-N 3.34Å; M250-L253 HydrophobicContact CE-CD1 3.53Å; M250-L253 PolarHBondContact O-N 3.25Å; M250-Q254 WeakPolarHBondContact O-CB 3.13Å; M250-Q254 VanDerWaalsContact O-CG 3.27Å; M250-Q254 WeakPolarHBondContact O-CG 3.38Å; M250-Q254 PolarHBondContact O-N 3.48Å; M250-Q254 VanDerWaalsContact O-N 3.16Å |
| 251 | S | 59.3 | Low | 59.1 | Low | 86 Ų | 86 | 109.2 Ų | 109.2 | 60% | 0.601 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.7 | -29.9 | 172.9 | -160.1 | 0 | 0 | 0 | 0 | 112.2 | A247 F248 F249 Q254 | A247-S251 VanDerWaalsContact O-CB 3.28Å; A247-S251 WeakPolarHBondContact O-CB 3.4Å; A247-S251 PolarHBondContact O-N 3.04Å; F248-S251 PolarHBondContact O-N 3.49Å; F249-S251 VanDerWaalsContact C-N 3.33Å; S251-Q254 PolarHBondContact O-N 3.45Å |
| 252 | M | 62.3 | Low | 59.2 | Low | 127 Ų | 127 | 108.7 Ų | 108.7 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.6 | -29.6 | 174.3 | -150.4 | -165.6 | -163.1 | 0 | 0 | 112.5 | F248 F249 M250 Q254 | F248-M252 PolarHBondContact O-N 2.95Å; F249-M252 PolarHBondContact O-N 3.39Å; M250-M252 VanDerWaalsContact C-N 3.34Å; M252-Q254 VanDerWaalsContact C-N 3.31Å |
| 253 | L | 61.8 | Low | 58.9 | Low | 113 Ų | 113 | 107.4 Ų | 107.4 | 59% | 0.592 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -5.9 | 173.5 | -69.6 | 170 | 0 | 0 | 0 | 113.5 | F249 M250 | F249-L253 HydrophobicContact CD1-CD1 3.75Å; F249-L253 HydrophobicContact CD1-CG 4.18Å; F249-L253 HydrophobicContact CE1-CD1 4.12Å; F249-L253 HydrophobicContact CE1-CG 4.42Å; F249-L253 WeakPolarHBondContact O-CB 3.32Å; F249-L253 VanDerWaalsContact O-CG 3.32Å; F249-L253 WeakPolarHBondContact O-CG 3.42Å; F249-L253 PolarHBondContact O-N 2.95Å; M250-L253 HydrophobicContact CE-CD1 3.53Å; M250-L253 PolarHBondContact O-N 3.25Å |
| 254 | Q | 49.2 | Very low | 58.6 | Low | 121 Ų | 121 | 110.9 Ų | 110.9 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 16.3 | 175.2 | -76.6 | -177.9 | 24.5 | 0 | 0 | 113.3 | M250 S251 M252 E256 | M250-Q254 WeakPolarHBondContact O-CB 3.13Å; M250-Q254 VanDerWaalsContact O-CG 3.27Å; M250-Q254 WeakPolarHBondContact O-CG 3.38Å; M250-Q254 PolarHBondContact O-N 3.48Å; M250-Q254 VanDerWaalsContact O-N 3.16Å; S251-Q254 PolarHBondContact O-N 3.45Å; M252-Q254 VanDerWaalsContact C-N 3.31Å; Q254-E256 VanDerWaalsContact C-N 3.32Å; Q254-E256 PolarHBondContact O-N 2.87Å |
| 255 | S | 47.6 | Very low | 58.3 | Low | 92 Ų | 92 | 111.7 Ų | 111.7 | 64% | 0.643 | 61% | 0.614 | S | S | * | * | trans | -80.3 | 92.7 | 155.3 | 66.2 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 256 | E | 41.5 | Very low | 57.6 | Low | 185 Ų | 185 | 114.3 Ų | 114.3 | 86% | 0.864 | 63% | 0.625 | S | S | * | * | -163.5 | 123.6 | 125.3 | -59.1 | -144.9 | 147.2 | 0 | 0 | 105.2 | Q254 | Q254-E256 VanDerWaalsContact C-N 3.32Å; Q254-E256 PolarHBondContact O-N 2.87Å | |||
| 257 | D | 44.3 | Very low | 56.5 | Low | 163 Ų | 163 | 122.6 Ų | 122.6 | 87% | 0.872 | 67% | 0.669 | S | S | * | * | trans | -53.4 | 151.1 | 169.4 | -66.8 | -65.2 | 0 | 0 | 0 | 109.8 | ||||
| 258 | C | 41.2 | Very low | 55.7 | Low | 175 Ų | 175 | 128.2 Ų | 128.2 | 100% | 1.182 | 68% | 0.684 | S | S | * | * | trans | -56.9 | 0 | 167.8 | -75.9 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 258 of 258 residues in 196.8 ms
(Link to these results)