| 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 | 45.1 | Very low | 47.9 | Very low | 244 Ų | 244 | 164.3 Ų | 164.3 | 100% | 1.202 | 87% | 0.866 | S | S | * | * | 0 | 98.8 | 0 | -84.3 | -79.2 | 158.2 | 0 | 0 | 108.1 | |||||
| 2 | P | 49.2 | Very low | 47.3 | Very low | 125 Ų | 125 | 162.8 Ų | 162.8 | 81% | 0.812 | 86% | 0.857 | S | S | * | * | trans | -105.5 | 152.7 | -170.8 | 37.2 | -27.6 | 0 | 0 | 0 | 112.5 | ||||
| 3 | A | 48.2 | Very low | 46.8 | Very low | 97 Ų | 97 | 157.7 Ų | 157.7 | 80% | 0.802 | 84% | 0.843 | S | S | * | * | trans | 165.9 | 126.4 | 131.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 4 | P | 61 | Low | 46.2 | Very low | 117 Ų | 117 | 156.4 Ų | 156.4 | 76% | 0.76 | 84% | 0.844 | S | S | * | * | trans | -109 | 171.7 | 167.6 | 38.1 | -27.6 | 0 | 0 | 0 | 111.9 | ||||
| 5 | R | 45.5 | Very low | 46.1 | Very low | 242 Ų | 242 | 151.5 Ų | 151.5 | 91% | 0.913 | 85% | 0.845 | S | S | * | * | trans | 147.7 | 130.9 | 140.6 | -83.9 | 169.2 | 178.5 | -139.7 | -0.1 | 112.3 | ||||
| 6 | S | 55.7 | Low | 45.8 | Very low | 121 Ų | 121 | 153.7 Ų | 153.7 | 85% | 0.846 | 85% | 0.853 | S | S | * | * | -166.6 | 127.9 | 125.8 | -172.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 7 | S | 40.8 | Very low | 45.9 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 78% | 0.776 | 85% | 0.852 | S | S | * | * | trans | -100.5 | 149.6 | 177.7 | -54.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 8 | R | 51.5 | Low | 45.8 | Very low | 260 Ų | 260 | 154.3 Ų | 154.3 | 98% | 0.981 | 86% | 0.855 | S | S | * | * | trans | -145.4 | 127.4 | 151.4 | -112.3 | 179.9 | -177.6 | -167.2 | 0.4 | 110.9 | ||||
| 9 | S | 38.3 | Very low | 45.8 | Very low | 97 Ų | 97 | 151.8 Ų | 151.8 | 68% | 0.678 | 84% | 0.844 | S | S | * | * | trans | -112.4 | 140.8 | 177.1 | 177.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 10 | L | 50.4 | Low | 45.7 | Very low | 184 Ų | 184 | 154.5 Ų | 154.5 | 96% | 0.963 | 84% | 0.84 | S | S | * | * | trans | -136.8 | 148.4 | 157.5 | -78.3 | 175.7 | 0 | 0 | 0 | 108.9 | ||||
| 11 | R | 40.8 | Very low | 45.7 | Very low | 209 Ų | 209 | 158.2 Ų | 158.2 | 79% | 0.789 | 84% | 0.842 | S | S | * | * | trans | -135 | 161.4 | -149.9 | -133.6 | -170.2 | -146.9 | -155.4 | 6.6 | 108.1 | ||||
| 12 | L | 41 | Very low | 45.6 | Very low | 146 Ų | 146 | 150.2 Ų | 150.2 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | trans | 79.4 | 144.6 | 154.6 | -57.5 | 149.7 | 0 | 0 | 0 | 115.9 | ||||
| 13 | S | 40.9 | Very low | 45.3 | Very low | 97 Ų | 97 | 155.7 Ų | 155.7 | 68% | 0.678 | 83% | 0.826 | S | S | * | * | cis | -168.6 | 157.9 | -1.4 | -101.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 14 | T | 39.2 | Very low | 45 | Very low | 139 Ų | 139 | 157 Ų | 157 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -37.4 | 153.4 | 167 | 32.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 15 | G | 43.6 | Very low | 44.1 | Very low | 83 Ų | 83 | 156.6 Ų | 156.6 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | -164.3 | 108.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 16 | L | 42.3 | Very low | 44 | Very low | 187 Ų | 187 | 156.5 Ų | 156.5 | 98% | 0.979 | 83% | 0.825 | S | S | * | * | trans | -95 | 141.7 | 175.6 | -83.4 | 161 | 0 | 0 | 0 | 111.3 | ||||
| 17 | G | 46.9 | Very low | 43.3 | Very low | 81 Ų | 81 | 156.5 Ų | 156.5 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -146.8 | 136.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 18 | R | 44.4 | Very low | 43.5 | Very low | 237 Ų | 237 | 156.4 Ų | 156.4 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | trans | -128.9 | 166 | -150.8 | -163.2 | -164.5 | -165.9 | -165.7 | 6.9 | 109 | ||||
| 19 | V | 46.2 | Very low | 43 | Very low | 108 Ų | 108 | 154.6 Ų | 154.6 | 66% | 0.655 | 81% | 0.807 | S | S | * | * | trans | 84.5 | 140.1 | 151.9 | -176.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 20 | R | 43.5 | Very low | 43.1 | Very low | 204 Ų | 204 | 155.3 Ų | 155.3 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | cis | -164.6 | 140.6 | 6.1 | -119.2 | 164.4 | -179 | 175.8 | -5.6 | 108.6 | ||||
| 21 | R | 46.4 | Very low | 42.8 | Very low | 234 Ų | 234 | 153.1 Ų | 153.1 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | 67.1 | 134.1 | 104.9 | -73.7 | -171.2 | -173 | -162.8 | -0.8 | 120.5 | |||||
| 22 | G | 41.9 | Very low | 42.7 | Very low | 75 Ų | 75 | 148.2 Ų | 148.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 133.2 | 89.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 23 | R | 43.1 | Very low | 42.7 | Very low | 240 Ų | 240 | 146.8 Ų | 146.8 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | 54.7 | 105.5 | 71.2 | -151 | -175.3 | -162.4 | -158.7 | 5.8 | 113.9 | |||||
| 24 | S | 42.2 | Very low | 43 | Very low | 124 Ų | 124 | 147 Ų | 147 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -158.4 | 141.1 | 139.8 | -156.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 25 | T | 41.1 | Very low | 43.2 | Very low | 109 Ų | 109 | 151.7 Ų | 151.7 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | trans | -119.1 | 144 | -167.1 | 37.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 26 | R | 43 | Very low | 43.2 | Very low | 240 Ų | 240 | 152.7 Ų | 152.7 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -165.9 | 113 | 153.8 | -113.8 | -179.5 | -177 | 177.9 | 0.9 | 105.4 | ||||
| 27 | V | 41.7 | Very low | 43.4 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | cis | 58.7 | 137.8 | 44.4 | -161.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 28 | V | 44.8 | Very low | 43.1 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 67% | 0.667 | 79% | 0.788 | S | S | * | * | trans | 97.5 | 122.8 | 165.8 | -170.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 29 | R | 41.5 | Very low | 43 | Very low | 221 Ų | 221 | 149.8 Ų | 149.8 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | cis | -163.2 | 139.1 | 18 | -130.5 | 160.8 | 161.2 | 134.2 | -6.8 | 110.5 | ||||
| 30 | T | 41.2 | Very low | 42.8 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | trans | -10.2 | 147.9 | 141.1 | 49.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 31 | V | 43.7 | Very low | 43.1 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | -167.1 | 137.8 | 100 | 159.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 32 | P | 39.2 | Very low | 42.8 | Very low | 106 Ų | 106 | 140.2 Ų | 140.2 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | trans | -117.1 | 163 | -174.1 | 41.8 | -31.3 | 0 | 0 | 0 | 116.3 | ||||
| 33 | S | 40.7 | Very low | 42.5 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 58.1 | 178.7 | 145.1 | -110.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 34 | P | 47.1 | Very low | 42.3 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | cis | -140.9 | -165.3 | -20.5 | 30.2 | -6.8 | 0 | 0 | 0 | 113.9 | ||||
| 35 | R | 42.7 | Very low | 42.1 | Very low | 237 Ų | 237 | 140.8 Ų | 140.8 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | trans | 110.2 | 124 | 160 | -60.8 | 173.6 | 179.1 | -143.1 | -1.1 | 111.6 | ||||
| 36 | S | 44.7 | Very low | 42.1 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | -163.5 | 140.4 | 44.5 | 55 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 37 | S | 46.5 | Very low | 41.9 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | trans | 67.7 | 116.4 | 133.3 | -54 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 38 | G | 40.2 | Very low | 41.7 | Very low | 78 Ų | 78 | 140.7 Ų | 140.7 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 150.5 | 85.9 | 140.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 39 | R | 41.5 | Very low | 41.3 | Very low | 240 Ų | 240 | 142.3 Ų | 142.3 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | 80.9 | 94.2 | 138.9 | -145.7 | 167.8 | -147.8 | -142.2 | 3.4 | 120 | ||||
| 40 | S | 42.7 | Very low | 41.4 | Very low | 94 Ų | 94 | 135.6 Ų | 135.6 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | 30.6 | 135.7 | 125.5 | 49.1 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 41 | T | 48.8 | Very low | 41.4 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | cis | 170.3 | 171.5 | 17.1 | 24.5 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 42 | P | 41.2 | Very low | 41.6 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | cis | -127.4 | 174.9 | -43.2 | 38.2 | -20.7 | 0 | 0 | 0 | 113.3 | ||||
| 43 | E | 34.4 | Very low | 42.5 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | trans | -60.4 | 153.8 | 176.9 | -65.5 | 159.4 | 97.7 | 0 | 0 | 116.6 | ||||
| 44 | M | 40.1 | Very low | 43 | Very low | 197 Ų | 197 | 137.6 Ų | 137.6 | 97% | 0.97 | 78% | 0.782 | S | S | * | * | trans | -134.2 | 89.8 | 133.7 | -90.6 | -176.8 | 71.8 | 0 | 0 | 108.3 | ||||
| 45 | S | 37.3 | Very low | 43.4 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | -83.1 | 119.7 | 161.3 | -61.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 46 | A | 40.9 | Very low | 44.8 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | -102.1 | 95.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | F48 | A46-F48 PolarHBondContact O-N 2.72Š| ||
| 47 | E | 38.3 | Very low | 46.2 | Very low | 183 Ų | 183 | 132.4 Ų | 132.4 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | trans | -60.1 | 117.6 | 159.1 | -76.3 | 172.7 | 124.9 | 0 | 0 | 108.2 | ||||
| 48 | F | 39.3 | Very low | 47.6 | Very low | 187 Ų | 187 | 133.9 Ų | 133.9 | 82% | 0.82 | 76% | 0.756 | S | S | * | * | trans | -108 | 85.6 | 161.1 | -141.4 | -89.6 | 0 | 0 | 0 | 107 | A46 S50 | A46-F48 PolarHBondContact O-N 2.72Å; F48-S50 WeakPolarHBondContact CD1-OG 3.19Å; F48-S50 WeakPolarHBondContact CE1-OG 3.49Å; F48-S50 PolarHBondContact O-N 3.13Å | ||
| 49 | D | 36.2 | Very low | 49.2 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | trans | -73.3 | 117.3 | 166.1 | -142.4 | -5.1 | 0 | 0 | 0 | 106.7 | ||||
| 50 | S | 42.5 | Very low | 50.9 | Low | 81 Ų | 81 | 124 Ų | 124 | 57% | 0.566 | 70% | 0.704 | S | S | * | * | trans | -142.4 | 86.9 | 172.2 | -82.3 | 0 | 0 | 0 | 0 | 108.6 | F48 A52 | F48-S50 WeakPolarHBondContact CD1-OG 3.19Å; F48-S50 WeakPolarHBondContact CE1-OG 3.49Å; F48-S50 PolarHBondContact O-N 3.13Å; S50-A52 PolarHBondContact O-N 3.45Å | ||
| 51 | H | 42.4 | Very low | 52.8 | Low | 171 Ų | 171 | 123.2 Ų | 123.2 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | trans | 10.3 | 94.1 | 144.8 | -67.1 | -70.8 | 0 | 0 | 0 | 115 | V53 | H51-V53 PolarHBondContact O-N 2.97Š| ||
| 52 | A | 47.8 | Very low | 54.4 | Low | 95 Ų | 95 | 122 Ų | 122 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | trans | -63.3 | 115.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | S50 | S50-A52 PolarHBondContact O-N 3.45Š| ||
| 53 | V | 56.4 | Low | 56.2 | Low | 131 Ų | 131 | 119.9 Ų | 119.9 | 79% | 0.794 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 125.9 | 170.3 | 177.4 | 0 | 0 | 0 | 0 | 108 | H51 L55 | H51-V53 PolarHBondContact O-N 2.97Å; V53-L55 PolarHBondContact O-N 2.93Å; V53-L55 VanDerWaalsContact O-N 3.17Å |
| 54 | P | 52.5 | Low | 58.6 | Low | 116 Ų | 116 | 116.3 Ų | 116.3 | 75% | 0.753 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 121.2 | 179.9 | -15.1 | 27.6 | 0 | 0 | 0 | 109.2 | ||
| 55 | L | 55.2 | Low | 60.6 | Low | 100 Ų | 100 | 112.7 Ų | 112.7 | 52% | 0.524 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -56 | 137.6 | 166.8 | -85.5 | 158.8 | 0 | 0 | 0 | 108.5 | V53 N57 A59 | V53-L55 PolarHBondContact O-N 2.93Å; V53-L55 VanDerWaalsContact O-N 3.17Å; L55-N57 PolarHBondContact O-N 3.2Å; L55-A59 HydrophobicContact CB-CB 4.25Å; L55-A59 HydrophobicContact CD2-CB 4.06Å |
| 56 | P | 71.7 | Confident | 62.8 | Low | 92 Ų | 92 | 113.7 Ų | 113.7 | 60% | 0.597 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 139.3 | 177.3 | 20.1 | -30.2 | 0 | 0 | 0 | 109.2 | E58 A59 Q60 | P56-E58 PolarHBondContact O-N 3.34Å; P56-A59 HydrophobicContact CG-CB 4.31Å; P56-A59 PolarHBondContact O-N 2.86Å; P56-Q60 PolarHBondContact O-N 3.31Å |
| 57 | N | 74.8 | Confident | 64.8 | Low | 144 Ų | 144 | 111.9 Ų | 111.9 | 77% | 0.77 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -45.4 | -36.7 | -169.8 | -72 | -25.2 | 0 | 0 | 0 | 113.1 | L55 Q60 T61 | L55-N57 PolarHBondContact O-N 3.2Å; N57-Q60 PolarHBondContact O-N 3.46Å; N57-T61 PolarHBondContact O-N 3.45Å; N57-T61 PolarHBondContact O-OG1 3.45Å |
| 58 | E | 76.1 | Confident | 66.9 | Low | 156 Ų | 156 | 106 Ų | 106 | 73% | 0.729 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58.4 | -47.4 | 176.2 | -64.1 | -173.3 | 170.9 | 0 | 0 | 113.6 | P56 T61 L62 | P56-E58 PolarHBondContact O-N 3.34Å; E58-T61 VanDerWaalsContact C-OG1 3.28Å; E58-T61 WeakPolarHBondContact CA-OG1 3.48Å; E58-T61 PolarHBondContact O-N 3.02Å; E58-T61 PolarHBondContact O-OG1 3.36Å; E58-L62 PolarHBondContact O-N 3.01Å |
| 59 | A | 74.2 | Confident | 69.2 | Low | 29 Ų | 29 | 101.7 Ų | 101.7 | 24% | 0.24 | 59% | 0.586 | C | S | . | * | H | α-helix | trans | -66.1 | -39 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L55 P56 T61 L62 V63 | L55-A59 HydrophobicContact CB-CB 4.25Å; L55-A59 HydrophobicContact CD2-CB 4.06Å; P56-A59 HydrophobicContact CG-CB 4.31Å; P56-A59 PolarHBondContact O-N 2.86Å; A59-T61 VanDerWaalsContact C-N 3.34Å; A59-L62 PolarHBondContact O-N 3.5Å; A59-V63 WeakPolarHBondContact O-CG2 3.36Å; A59-V63 PolarHBondContact O-N 2.93Å |
| 60 | Q | 76.8 | Confident | 71.4 | Confident | 82 Ų | 82 | 99.8 Ų | 99.8 | 38% | 0.383 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.2 | -38.6 | 174.2 | -168.1 | 63.8 | 42.4 | 0 | 0 | 111.3 | P56 N57 V63 N64 | P56-Q60 PolarHBondContact O-N 3.31Å; N57-Q60 PolarHBondContact O-N 3.46Å; Q60-V63 PolarHBondContact O-N 3.48Å; Q60-N64 PolarHBondContact NE2-OD1 2.93Å; Q60-N64 WeakPolarHBondContact O-CB 3.38Å; Q60-N64 PolarHBondContact O-N 3.31Å; Q60-N64 PolarHBondContact O-ND2 3.06Å; Q60-N64 PolarHBondContact O-OD1 3.16Å |
| 61 | T | 82.4 | Confident | 73.3 | Confident | 78 Ų | 78 | 100.7 Ų | 100.7 | 48% | 0.479 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.7 | -42.5 | 171.9 | 13.3 | 0 | 0 | 0 | 0 | 112.4 | N57 E58 A59 N64 Q65 | N57-T61 PolarHBondContact O-N 3.45Å; N57-T61 PolarHBondContact O-OG1 3.45Å; E58-T61 VanDerWaalsContact C-OG1 3.28Å; E58-T61 WeakPolarHBondContact CA-OG1 3.48Å; E58-T61 PolarHBondContact O-N 3.02Å; E58-T61 PolarHBondContact O-OG1 3.36Å; A59-T61 VanDerWaalsContact C-N 3.34Å; T61-N64 PolarHBondContact O-N 3.34Å; T61-Q65 WeakPolarHBondContact O-CB 3.21Å; T61-Q65 WeakPolarHBondContact O-CG 3.39Å; T61-Q65 PolarHBondContact O-N 3.45Å |
| 62 | L | 81.6 | Confident | 75.3 | Confident | 104 Ų | 104 | 95.7 Ų | 95.7 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.1 | -43.8 | 177.5 | -76 | 172.9 | 0 | 0 | 0 | 111.8 | E58 A59 N64 Q65 L66 | E58-L62 PolarHBondContact O-N 3.01Å; A59-L62 PolarHBondContact O-N 3.5Å; L62-N64 VanDerWaalsContact C-N 3.33Å; L62-N64 PolarHBondContact O-N 3.1Å; L62-Q65 PolarHBondContact O-N 2.77Å; L62-L66 WeakPolarHBondContact O-CB 3.17Å; L62-L66 PolarHBondContact O-N 3.34Å |
| 63 | V | 80.1 | Confident | 77.2 | Confident | 77 Ų | 77 | 96.8 Ų | 96.8 | 47% | 0.467 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 175.2 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | A59 Q60 L66 S67 | A59-V63 WeakPolarHBondContact O-CG2 3.36Å; A59-V63 PolarHBondContact O-N 2.93Å; Q60-V63 PolarHBondContact O-N 3.48Å; V63-L66 PolarHBondContact O-N 2.82Å; V63-S67 WeakPolarHBondContact O-CB 3.19Å; V63-S67 PolarHBondContact O-N 2.87Å |
| 64 | N | 83.2 | Confident | 78.4 | Confident | 87 Ų | 87 | 95.5 Ų | 95.5 | 47% | 0.465 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 177.5 | -68 | -15.1 | 0 | 0 | 0 | 111.9 | Q60 T61 L62 A68 | Q60-N64 PolarHBondContact NE2-OD1 2.93Å; Q60-N64 WeakPolarHBondContact O-CB 3.38Å; Q60-N64 PolarHBondContact O-N 3.31Å; Q60-N64 PolarHBondContact O-ND2 3.06Å; Q60-N64 PolarHBondContact O-OD1 3.16Å; T61-N64 PolarHBondContact O-N 3.34Å; L62-N64 VanDerWaalsContact C-N 3.33Å; L62-N64 PolarHBondContact O-N 3.1Å; N64-A68 VanDerWaalsContact O-CB 3.29Å; N64-A68 WeakPolarHBondContact O-CB 3.38Å; N64-A68 PolarHBondContact O-N 3.43Å |
| 65 | Q | 83.9 | Confident | 79.9 | Confident | 121 Ų | 121 | 91.7 Ų | 91.7 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.7 | -46 | 175.4 | -81.4 | -175.3 | -36.8 | 0 | 0 | 111.7 | T61 L62 A68 T69 | T61-Q65 WeakPolarHBondContact O-CB 3.21Å; T61-Q65 WeakPolarHBondContact O-CG 3.39Å; T61-Q65 PolarHBondContact O-N 3.45Å; L62-Q65 PolarHBondContact O-N 2.77Å; Q65-A68 PolarHBondContact O-N 2.79Å; Q65-T69 WeakPolarHBondContact O-CB 3.48Å; Q65-T69 PolarHBondContact O-N 3.25Å; Q65-T69 PolarHBondContact O-OG1 3.28Å |
| 66 | L | 82.4 | Confident | 81.2 | Confident | 112 Ų | 112 | 92.8 Ų | 92.8 | 59% | 0.586 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.3 | -46.2 | 175.4 | -89.7 | 157.3 | 0 | 0 | 0 | 111.4 | L62 V63 A68 T69 L70 | L62-L66 WeakPolarHBondContact O-CB 3.17Å; L62-L66 PolarHBondContact O-N 3.34Å; V63-L66 PolarHBondContact O-N 2.82Å; L66-A68 PolarHBondContact O-N 2.8Å; L66-T69 PolarHBondContact O-N 3.23Å; L66-L70 WeakPolarHBondContact O-CB 3.46Å; L66-L70 WeakPolarHBondContact O-CG 3.33Å; L66-L70 PolarHBondContact O-N 3.15Å |
| 67 | S | 81.9 | Confident | 81.5 | Confident | 59 Ų | 59 | 91.9 Ų | 91.9 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 176.2 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | V63 T69 L70 N71 | V63-S67 WeakPolarHBondContact O-CB 3.19Å; V63-S67 PolarHBondContact O-N 2.87Å; S67-T69 PolarHBondContact O-N 2.7Å; S67-L70 PolarHBondContact O-N 3.44Å; S67-N71 WeakPolarHBondContact O-CB 3.49Å; S67-N71 VanDerWaalsContact O-CG 3.26Å; S67-N71 PolarHBondContact O-N 3.27Å; S67-N71 PolarHBondContact O-ND2 3.5Å; S67-N71 PolarHBondContact OG-ND2 3.36Å |
| 68 | A | 84.4 | Confident | 81.9 | Confident | 61 Ų | 61 | 93.2 Ų | 93.2 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | N64 Q65 L66 N71 S72 | N64-A68 VanDerWaalsContact O-CB 3.29Å; N64-A68 WeakPolarHBondContact O-CB 3.38Å; N64-A68 PolarHBondContact O-N 3.43Å; Q65-A68 PolarHBondContact O-N 2.79Å; L66-A68 PolarHBondContact O-N 2.8Å; A68-N71 PolarHBondContact O-N 3.33Å; A68-S72 WeakPolarHBondContact O-CB 3.34Å; A68-S72 PolarHBondContact O-N 2.96Å |
| 69 | T | 86 | Confident | 82.2 | Confident | 96 Ų | 96 | 93.2 Ų | 93.2 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.8 | -45.2 | -179.7 | -50 | 0 | 0 | 0 | 0 | 110.7 | Q65 L66 S67 S72 F73 | Q65-T69 WeakPolarHBondContact O-CB 3.48Å; Q65-T69 PolarHBondContact O-N 3.25Å; Q65-T69 PolarHBondContact O-OG1 3.28Å; L66-T69 PolarHBondContact O-N 3.23Å; S67-T69 PolarHBondContact O-N 2.7Å; T69-S72 PolarHBondContact O-N 2.91Å; T69-F73 WeakPolarHBondContact O-CB 3.27Å; T69-F73 PolarHBondContact O-N 3.45Å |
| 70 | L | 82.5 | Confident | 82.5 | Confident | 103 Ų | 103 | 97.5 Ų | 97.5 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 176.2 | -75.8 | 170.7 | 0 | 0 | 0 | 111.9 | L66 S67 S72 F73 L74 | L66-L70 WeakPolarHBondContact O-CB 3.46Å; L66-L70 WeakPolarHBondContact O-CG 3.33Å; L66-L70 PolarHBondContact O-N 3.15Å; S67-L70 PolarHBondContact O-N 3.44Å; L70-S72 VanDerWaalsContact C-N 3.35Å; L70-S72 PolarHBondContact O-N 3.48Å; L70-F73 PolarHBondContact O-N 3.19Å; L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 3.1Å |
| 71 | N | 83.3 | Confident | 82.3 | Confident | 101 Ų | 101 | 97.4 Ų | 97.4 | 54% | 0.54 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.6 | -37.5 | 177.5 | -74.2 | -40.6 | 0 | 0 | 0 | 112.2 | S67 A68 G75 | S67-N71 WeakPolarHBondContact O-CB 3.49Å; S67-N71 VanDerWaalsContact O-CG 3.26Å; S67-N71 PolarHBondContact O-N 3.27Å; S67-N71 PolarHBondContact O-ND2 3.5Å; S67-N71 PolarHBondContact OG-ND2 3.36Å; A68-N71 PolarHBondContact O-N 3.33Å; N71-G75 PolarHBondContact O-N 3.02Å |
| 72 | S | 84.9 | Confident | 82.2 | Confident | 66 Ų | 66 | 97.8 Ų | 97.8 | 46% | 0.462 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 173.7 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | A68 T69 L70 G75 Q76 | A68-S72 WeakPolarHBondContact O-CB 3.34Å; A68-S72 PolarHBondContact O-N 2.96Å; T69-S72 PolarHBondContact O-N 2.91Å; L70-S72 VanDerWaalsContact C-N 3.35Å; L70-S72 PolarHBondContact O-N 3.48Å; S72-G75 PolarHBondContact O-N 2.79Å; S72-Q76 WeakPolarHBondContact O-CG 3.37Å; S72-Q76 PolarHBondContact O-N 3.33Å |
| 73 | F | 86.2 | Confident | 81.8 | Confident | 117 Ų | 117 | 96 Ų | 96 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 178 | 178.5 | -107.1 | 0 | 0 | 0 | 111.6 | T69 L70 G75 Q76 L77 | T69-F73 WeakPolarHBondContact O-CB 3.27Å; T69-F73 PolarHBondContact O-N 3.45Å; L70-F73 PolarHBondContact O-N 3.19Å; F73-G75 VanDerWaalsContact C-N 3.28Å; F73-G75 PolarHBondContact O-N 2.83Å; F73-Q76 PolarHBondContact O-N 3.46Å; F73-L77 HydrophobicContact CD1-CD1 4Å; F73-L77 HydrophobicContact CE1-CD1 3.34Å; F73-L77 HydrophobicContact CE2-CD1 4.24Å; F73-L77 HydrophobicContact CZ-CD1 3.47Å; F73-L77 VanDerWaalsContact CZ-CD1 3.47Å; F73-L77 HydrophobicContact CZ-CG 4.48Å; F73-L77 WeakPolarHBondContact O-CB 3.14Å; F73-L77 PolarHBondContact O-N 3.28Å |
| 74 | L | 82.8 | Confident | 81.3 | Confident | 105 Ų | 105 | 98.3 Ų | 98.3 | 55% | 0.55 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.7 | -33.4 | 175.5 | -70 | 174 | 0 | 0 | 0 | 112.4 | L70 R78 | L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 3.1Å; L74-R78 WeakPolarHBondContact O-CB 3.33Å; L74-R78 PolarHBondContact O-N 2.93Å; L74-R78 VanDerWaalsContact O-N 3.09Å |
| 75 | G | 83 | Confident | 80 | Confident | 36 Ų | 36 | 104 Ų | 104 | 37% | 0.371 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64 | -49.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N71 S72 F73 R78 E79 | N71-G75 PolarHBondContact O-N 3.02Å; S72-G75 PolarHBondContact O-N 2.79Å; F73-G75 VanDerWaalsContact C-N 3.28Å; F73-G75 PolarHBondContact O-N 2.83Å; G75-R78 WeakPolarHBondContact O-CB 3.43Å; G75-R78 PolarHBondContact O-N 3.38Å; G75-R78 VanDerWaalsContact O-N 3.15Å; G75-E79 PolarHBondContact O-N 3.17Å |
| 76 | Q | 83.4 | Confident | 78.6 | Confident | 122 Ų | 122 | 103.4 Ų | 103.4 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.6 | -45.4 | 177.1 | -72.6 | 175.2 | -1.8 | 0 | 0 | 112 | S72 F73 R78 E79 E80 | S72-Q76 WeakPolarHBondContact O-CG 3.37Å; S72-Q76 PolarHBondContact O-N 3.33Å; F73-Q76 PolarHBondContact O-N 3.46Å; Q76-R78 PolarHBondContact O-N 3.45Å; Q76-E79 PolarHBondContact O-N 3.22Å; Q76-E79 VanDerWaalsContact O-N 3.15Å; Q76-E80 WeakPolarHBondContact O-CG 3.29Å; Q76-E80 PolarHBondContact O-N 3.47Å |
| 77 | L | 76.9 | Confident | 76.6 | Confident | 74 Ų | 74 | 102.6 Ų | 102.6 | 39% | 0.387 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.6 | -37.6 | 175 | -114.2 | 158.8 | 0 | 0 | 0 | 112 | F73 L81 | F73-L77 HydrophobicContact CD1-CD1 4Å; F73-L77 HydrophobicContact CE1-CD1 3.34Å; F73-L77 HydrophobicContact CE2-CD1 4.24Å; F73-L77 HydrophobicContact CZ-CD1 3.47Å; F73-L77 VanDerWaalsContact CZ-CD1 3.47Å; F73-L77 HydrophobicContact CZ-CG 4.48Å; F73-L77 WeakPolarHBondContact O-CB 3.14Å; F73-L77 PolarHBondContact O-N 3.28Å; L77-L81 HydrophobicContact CD2-CD1 4.26Å; L77-L81 WeakPolarHBondContact O-CB 3.42Å; L77-L81 WeakPolarHBondContact O-CG 3.33Å; L77-L81 PolarHBondContact O-N 2.9Å |
| 78 | R | 83.8 | Confident | 74.7 | Confident | 171 Ų | 171 | 105.3 Ų | 105.3 | 65% | 0.645 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -70.8 | -38.6 | 178 | -168.7 | 177.3 | 179.3 | -169.2 | -3.1 | 112.1 | L74 G75 Q76 V82 | L74-R78 WeakPolarHBondContact O-CB 3.33Å; L74-R78 PolarHBondContact O-N 2.93Å; L74-R78 VanDerWaalsContact O-N 3.09Å; G75-R78 WeakPolarHBondContact O-CB 3.43Å; G75-R78 PolarHBondContact O-N 3.38Å; G75-R78 VanDerWaalsContact O-N 3.15Å; Q76-R78 PolarHBondContact O-N 3.45Å; R78-V82 VanDerWaalsContact O-CG2 3.23Å; R78-V82 WeakPolarHBondContact O-CG2 3.36Å; R78-V82 PolarHBondContact O-N 3.45Å; R78-V82 VanDerWaalsContact O-N 3.1Å |
| 79 | E | 82.1 | Confident | 72.5 | Confident | 157 Ų | 157 | 106.6 Ų | 106.6 | 73% | 0.734 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.5 | -42.6 | 174.6 | -72 | -147.1 | 167 | 0 | 0 | 112.3 | G75 Q76 L81 V82 S83 | G75-E79 PolarHBondContact O-N 3.17Å; Q76-E79 PolarHBondContact O-N 3.22Å; Q76-E79 VanDerWaalsContact O-N 3.15Å; E79-L81 VanDerWaalsContact C-N 3.35Å; E79-L81 PolarHBondContact O-N 2.95Å; E79-V82 PolarHBondContact O-N 3.27Å; E79-V82 VanDerWaalsContact O-N 3.13Å; E79-S83 PolarHBondContact O-N 2.9Å |
| 80 | E | 81 | Confident | 70.4 | Confident | 119 Ų | 119 | 107.8 Ų | 107.8 | 56% | 0.556 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.4 | -42.8 | 174.7 | -74.7 | -65.6 | 156.4 | 0 | 0 | 111.8 | Q76 V82 S83 L84 | Q76-E80 WeakPolarHBondContact O-CG 3.29Å; Q76-E80 PolarHBondContact O-N 3.47Å; E80-V82 VanDerWaalsContact C-N 3.29Å; E80-V82 PolarHBondContact O-N 2.86Å; E80-S83 PolarHBondContact O-N 3.29Å; E80-S83 PolarHBondContact O-OG 3.33Å; E80-S83 VanDerWaalsContact O-OG 3.07Å; E80-L84 WeakPolarHBondContact O-CB 3.43Å; E80-L84 VanDerWaalsContact O-CG 3.29Å; E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 3.49Å |
| 81 | L | 72.1 | Confident | 68.1 | Low | 80 Ų | 80 | 108 Ų | 108 | 42% | 0.419 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.5 | -26.7 | 176.2 | -73.7 | 171.6 | 0 | 0 | 0 | 113.3 | L77 E79 R85 | L77-L81 HydrophobicContact CD2-CD1 4.26Å; L77-L81 WeakPolarHBondContact O-CB 3.42Å; L77-L81 WeakPolarHBondContact O-CG 3.33Å; L77-L81 PolarHBondContact O-N 2.9Å; E79-L81 VanDerWaalsContact C-N 3.35Å; E79-L81 PolarHBondContact O-N 2.95Å; L81-R85 WeakPolarHBondContact O-CG 3.32Å |
| 82 | V | 79.6 | Confident | 65.9 | Low | 85 Ų | 85 | 107.9 Ų | 107.9 | 52% | 0.515 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -78.3 | -41.4 | 173.5 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | R78 E79 E80 L84 R85 V86 | R78-V82 VanDerWaalsContact O-CG2 3.23Å; R78-V82 WeakPolarHBondContact O-CG2 3.36Å; R78-V82 PolarHBondContact O-N 3.45Å; R78-V82 VanDerWaalsContact O-N 3.1Å; E79-V82 PolarHBondContact O-N 3.27Å; E79-V82 VanDerWaalsContact O-N 3.13Å; E80-V82 VanDerWaalsContact C-N 3.29Å; E80-V82 PolarHBondContact O-N 2.86Å; V82-L84 VanDerWaalsContact C-N 3.33Å; V82-L84 PolarHBondContact O-N 2.68Å; V82-R85 PolarHBondContact O-N 2.88Å; V82-R85 VanDerWaalsContact O-N 3.09Å; V82-V86 WeakPolarHBondContact O-CG2 3.42Å; V82-V86 PolarHBondContact O-N 3.47Å |
| 83 | S | 75.2 | Confident | 63.5 | Low | 68 Ų | 68 | 109 Ų | 109 | 48% | 0.476 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.2 | -41.4 | 177.2 | 87.2 | 0 | 0 | 0 | 0 | 111.2 | E79 E80 R85 V86 | E79-S83 PolarHBondContact O-N 2.9Å; E80-S83 PolarHBondContact O-N 3.29Å; E80-S83 PolarHBondContact O-OG 3.33Å; E80-S83 VanDerWaalsContact O-OG 3.07Å; S83-R85 PolarHBondContact O-N 3.46Å; S83-V86 PolarHBondContact O-N 2.89Å |
| 84 | L | 68.4 | Low | 61.1 | Low | 125 Ų | 125 | 108.3 Ų | 108.3 | 65% | 0.654 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -24.3 | 175.3 | -75.5 | 166.8 | 0 | 0 | 0 | 113.3 | E80 V82 | E80-L84 WeakPolarHBondContact O-CB 3.43Å; E80-L84 VanDerWaalsContact O-CG 3.29Å; E80-L84 WeakPolarHBondContact O-CG 3.44Å; E80-L84 PolarHBondContact O-N 3.49Å; V82-L84 VanDerWaalsContact C-N 3.33Å; V82-L84 PolarHBondContact O-N 2.68Å |
| 85 | R | 56.3 | Low | 58.9 | Low | 206 Ų | 206 | 109.6 Ų | 109.6 | 78% | 0.777 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -12 | 178.9 | -77.6 | -179.6 | 179.1 | 173.8 | 2 | 114.2 | L81 V82 S83 | L81-R85 WeakPolarHBondContact O-CG 3.32Å; V82-R85 PolarHBondContact O-N 2.88Å; V82-R85 VanDerWaalsContact O-N 3.09Å; S83-R85 PolarHBondContact O-N 3.46Å |
| 86 | V | 55.1 | Low | 56.7 | Low | 109 Ų | 109 | 115.6 Ų | 115.6 | 66% | 0.661 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -100.3 | 2 | -176 | 179.5 | 0 | 0 | 0 | 0 | 112.7 | V82 S83 P88 | V82-V86 WeakPolarHBondContact O-CG2 3.42Å; V82-V86 PolarHBondContact O-N 3.47Å; S83-V86 PolarHBondContact O-N 2.89Å; V86-P88 WeakPolarHBondContact O-CD 3.39Å |
| 87 | S | 38.7 | Very low | 54.4 | Low | 95 Ų | 95 | 115.9 Ų | 115.9 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | trans | -97.9 | 96.7 | 172.8 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | A89 | S87-A89 PolarHBondContact O-N 2.93Š| ||
| 88 | P | 42.6 | Very low | 52.5 | Low | 116 Ų | 116 | 117.7 Ų | 117.7 | 75% | 0.753 | 71% | 0.709 | S | S | * | * | trans | -70.3 | 110.3 | 165.4 | 29.2 | -30.9 | 0 | 0 | 0 | 108.2 | V86 | V86-P88 WeakPolarHBondContact O-CD 3.39Š| ||
| 89 | A | 38.2 | Very low | 50.1 | Low | 87 Ų | 87 | 118.5 Ų | 118.5 | 72% | 0.719 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 133.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | S87 | S87-A89 PolarHBondContact O-N 2.93Š|
| 90 | P | 43.1 | Very low | 48 | Very low | 122 Ų | 122 | 117.9 Ų | 117.9 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -70 | 139.9 | 177.5 | 29.3 | -31.7 | 0 | 0 | 0 | 109.9 | A92 | P90-A92 PolarHBondContact O-N 3.48Š|
| 91 | A | 33.3 | Very low | 45.8 | Very low | 108 Ų | 108 | 118.9 Ų | 118.9 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 125.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 92 | A | 38 | Very low | 44.1 | Very low | 98 Ų | 98 | 119.7 Ų | 119.7 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -117.2 | 106.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | P90 | P90-A92 PolarHBondContact O-N 3.48Š| ||
| 93 | A | 34 | Very low | 42.2 | Very low | 89 Ų | 89 | 123.7 Ų | 123.7 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | 62.7 | 104.3 | 146.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 94 | A | 36.3 | Very low | 40.5 | Very low | 102 Ų | 102 | 128.4 Ų | 128.4 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -53.5 | 139.8 | 145.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 95 | T | 36.6 | Very low | 39.2 | Very low | 133 Ų | 133 | 128.5 Ų | 128.5 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | -144.9 | 101.1 | 157.6 | -49.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 96 | L | 35.6 | Very low | 38.7 | Very low | 162 Ų | 162 | 124.3 Ų | 124.3 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | -160.7 | 93.7 | 155.6 | -100.6 | 167.8 | 0 | 0 | 0 | 106.3 | ||||
| 97 | S | 34.9 | Very low | 37.9 | Very low | 128 Ų | 128 | 123.7 Ų | 123.7 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | trans | -161.2 | 92 | 159.2 | -77.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 98 | T | 37.5 | Very low | 37.9 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | trans | -111.3 | 137 | 152.2 | 32.6 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 99 | F | 33.8 | Very low | 37.7 | Very low | 187 Ų | 187 | 129.6 Ų | 129.6 | 82% | 0.82 | 80% | 0.799 | S | S | * | * | cis | -164.4 | 133.3 | 23.7 | -114.7 | -77.5 | 0 | 0 | 0 | 107 | ||||
| 100 | T | 37.6 | Very low | 38 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -160.1 | 115.9 | 136.2 | 31.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 101 | D | 34.9 | Very low | 37.6 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | trans | 41.4 | 114.7 | 157.7 | -103.4 | -32.5 | 0 | 0 | 0 | 123.5 | ||||
| 102 | S | 37 | Very low | 38.2 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | 28.1 | 124.8 | 119.2 | -38.7 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 103 | Q | 38.5 | Very low | 38.1 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | -168.6 | 159.7 | 54.1 | -79.5 | -169.1 | -0.1 | 0 | 0 | 111.7 | |||||
| 104 | Q | 39.3 | Very low | 38.5 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | 94.5 | 73.6 | 150.1 | -93.7 | 159.1 | -9.5 | 0 | 0 | 121.9 | ||||
| 105 | T | 42.6 | Very low | 38.6 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | 30.8 | 162.6 | 110.4 | 3.1 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 106 | P | 44.8 | Very low | 38.9 | Very low | 117 Ų | 117 | 148.5 Ų | 148.5 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | -135.2 | -177.4 | -90.1 | 45.1 | -27.5 | 0 | 0 | 0 | 114.2 | |||||
| 107 | A | 38.1 | Very low | 39.2 | Very low | 97 Ų | 97 | 146.1 Ų | 146.1 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -177 | 142.2 | 142.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 108 | A | 38.9 | Very low | 39.3 | Very low | 94 Ų | 94 | 144.6 Ų | 144.6 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | 72.6 | 112.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 109 | R | 39.4 | Very low | 39.8 | Very low | 241 Ų | 241 | 145.3 Ų | 145.3 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | cis | 93.2 | 114.5 | 49.4 | -84.4 | -171.9 | 155.5 | 174.5 | -4.5 | 114.5 | ||||
| 110 | S | 43.4 | Very low | 39.9 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 155.9 | 104.2 | 133.7 | 48.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 111 | N | 35.3 | Very low | 40.1 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | 55 | 113 | 84.8 | -81.2 | -21.2 | 0 | 0 | 0 | 115.8 | |||||
| 112 | L | 46 | Very low | 40.5 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 98% | 0.979 | 79% | 0.793 | S | S | * | * | trans | -155.3 | 128.7 | 132.7 | -117.2 | 124.4 | 0 | 0 | 0 | 111.3 | ||||
| 113 | D | 36.7 | Very low | 40.4 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -101 | 142.4 | -168.3 | -158.1 | -7.2 | 0 | 0 | 0 | 109.2 | ||||
| 114 | R | 42.3 | Very low | 40.3 | Very low | 228 Ų | 228 | 138.4 Ų | 138.4 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -156.5 | 104.2 | 160.7 | -154.7 | 167.4 | -169.9 | 169.8 | 2.6 | 112.4 | ||||
| 115 | S | 36.6 | Very low | 40.3 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 62% | 0.622 | 79% | 0.794 | S | S | * | * | trans | -66.8 | 148.5 | 173.4 | -31.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 116 | Y | 43 | Very low | 40.2 | Very low | 218 Ų | 218 | 137.2 Ų | 137.2 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -149.1 | 134.8 | 144.2 | -107.7 | -81.6 | 0 | 0 | 0 | 111.2 | ||||
| 117 | S | 43.5 | Very low | 40.1 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -80.1 | 152.5 | -162.3 | -46.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 118 | A | 35.3 | Very low | 40.3 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -81.7 | 155.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 119 | P | 48.1 | Very low | 40.8 | Very low | 126 Ų | 126 | 145 Ų | 145 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -111.6 | 134.7 | 153.2 | 33.6 | -22.1 | 0 | 0 | 0 | 111.2 | ||||
| 120 | A | 36.1 | Very low | 40.9 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -81.1 | 175.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 121 | V | 42.7 | Very low | 40.7 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | trans | 102 | 110.8 | 152.7 | -166.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 122 | M | 42.4 | Very low | 41.1 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 82% | 0.823 | 80% | 0.797 | S | S | * | * | 177.9 | 123.6 | 114.7 | -89.8 | -78.8 | 101.8 | 0 | 0 | 109.9 | |||||
| 123 | P | 36.5 | Very low | 40.9 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | trans | -105.4 | 153.6 | 165.7 | 35.6 | -25.5 | 0 | 0 | 0 | 113 | ||||
| 124 | S | 35.1 | Very low | 41.4 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 64.6 | 117.9 | 153.7 | -57.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 125 | A | 40.2 | Very low | 41.1 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -124.3 | 109.3 | 148 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 126 | E | 38.9 | Very low | 41.3 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -64.5 | 132.4 | 169.6 | -76.8 | 163.1 | 117.6 | 0 | 0 | 110.4 | ||||
| 127 | Y | 44.6 | Very low | 40.9 | Very low | 220 Ų | 220 | 130.1 Ų | 130.1 | 86% | 0.863 | 79% | 0.786 | S | S | * | * | trans | -103.4 | 102.1 | 160.3 | -87.1 | -89.6 | 0 | 0 | 0 | 108.4 | ||||
| 128 | T | 41.3 | Very low | 40.8 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -75.8 | 119.2 | 166.1 | -52.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 129 | V | 49.1 | Very low | 41 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | trans | -105.5 | 131.8 | 166.1 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 130 | P | 42.7 | Very low | 40.3 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 130.5 | -179.9 | -13.3 | 28.3 | 0 | 0 | 0 | 112.1 | ||
| 131 | S | 38.3 | Very low | 40.4 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 126.6 | 165.8 | -89.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 132 | E | 44.1 | Very low | 40.3 | Very low | 201 Ų | 201 | 136.2 Ų | 136.2 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 125.5 | 158.6 | -113.4 | -178.9 | 150.1 | 0 | 0 | 109.7 | ||
| 133 | T | 41.9 | Very low | 40 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 128.6 | -176.2 | -57 | 0 | 0 | 0 | 0 | 111.4 | ||
| 134 | V | 45.8 | Very low | 39.8 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -138.7 | 131.5 | 152.7 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 135 | P | 37.8 | Very low | 39.7 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | trans | -98.1 | 150.8 | -165.4 | 37.1 | -33.3 | 0 | 0 | 0 | 115.3 | ||||
| 136 | A | 38.9 | Very low | 39.7 | Very low | 93 Ų | 93 | 142 Ų | 142 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 70 | 149.7 | 131.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 137 | E | 36.2 | Very low | 39.4 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | 82.9 | 128.8 | 171.6 | -67.8 | -167.3 | 114.4 | 0 | 0 | 116.6 | ||||
| 138 | M | 40.1 | Very low | 39 | Very low | 141 Ų | 141 | 134 Ų | 134 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | cis | -164.9 | 144.7 | 20.3 | -131.6 | 165.9 | 177.3 | 0 | 0 | 110.9 | ||||
| 139 | K | 39.3 | Very low | 38.7 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 70.8 | 106.4 | 147.7 | -93.3 | 169.4 | 173.6 | 173.4 | 0 | 122 | ||||
| 140 | A | 34.6 | Very low | 37.8 | Very low | 88 Ų | 88 | 132.9 Ų | 132.9 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -88.6 | -158.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 141 | P | 39.1 | Very low | 37.5 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | -130.7 | 175.3 | -72.3 | 35.4 | -18.7 | 0 | 0 | 0 | 112.1 | |||||
| 142 | S | 40.2 | Very low | 37.2 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -141.8 | 122.9 | 159.4 | -90.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 143 | K | 34.4 | Very low | 36.8 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 82% | 0.817 | 81% | 0.806 | S | S | * | * | trans | -74.4 | 155.7 | 169 | -67.7 | 170.3 | 173.5 | 177.1 | 0 | 110.2 | ||||
| 144 | C | 34.3 | Very low | 36.3 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 90% | 0.899 | 80% | 0.798 | S | S | * | * | -159.1 | 127.2 | 128.6 | -101 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 145 | L | 31.6 | Very low | 35.6 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 73% | 0.728 | 79% | 0.793 | S | S | * | * | trans | -67.1 | 154.4 | 163.5 | -74.1 | 88.4 | 0 | 0 | 0 | 110.1 | ||||
| 146 | T | 40.8 | Very low | 35.3 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | -165.9 | 131.4 | 121.4 | 43 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 147 | D | 32.1 | Very low | 35.1 | Very low | 162 Ų | 162 | 134 Ų | 134 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -58.3 | 152.8 | 169.5 | -70 | -54.7 | 0 | 0 | 0 | 113.3 | ||||
| 148 | G | 36.5 | Very low | 34.9 | Very low | 69 Ų | 69 | 134.3 Ų | 134.3 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | 176.3 | 76 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 149 | T | 35.7 | Very low | 34.7 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 93% | 0.933 | 81% | 0.812 | S | S | * | * | trans | -0.8 | 124.7 | 152.6 | 29.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 150 | G | 29.2 | Very low | 34.6 | Very low | 74 Ų | 74 | 134.6 Ų | 134.6 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | 109.6 | 85.5 | 137.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 151 | S | 35.9 | Very low | 35.1 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | -164.4 | 119.9 | 138.3 | -116.6 | 0 | 0 | 0 | 0 | 112.1 | C153 | S151-C153 PolarHBondContact O-N 2.93Š| ||
| 152 | K | 32.8 | Very low | 35.9 | Very low | 214 Ų | 214 | 142.5 Ų | 142.5 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | -59.4 | 99.9 | 168.2 | -86.8 | 174.1 | 167.5 | 174.6 | 0 | 109.1 | ||||
| 153 | C | 36.5 | Very low | 37.2 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -92.1 | 111.5 | 159 | -74.7 | 0 | 0 | 0 | 0 | 108.2 | S151 | S151-C153 PolarHBondContact O-N 2.93Š| ||
| 154 | G | 31.7 | Very low | 39.1 | Very low | 60 Ų | 60 | 132.2 Ų | 132.2 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | trans | -55.8 | 136.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F156 | G154-F156 PolarHBondContact O-N 3.38Å; G154-F156 VanDerWaalsContact O-N 3.15Å | ||
| 155 | A | 29.7 | Very low | 41.2 | Very low | 89 Ų | 89 | 128.2 Ų | 128.2 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | trans | -58.7 | 113.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.7 | T157 | A155-T157 HydrophobicContact CB-CG2 4.48Å; A155-T157 PolarHBondContact O-N 3.36Å | ||
| 156 | F | 31.7 | Very low | 43.6 | Very low | 209 Ų | 209 | 122.5 Ų | 122.5 | 92% | 0.917 | 71% | 0.712 | S | S | * | * | trans | -68.1 | 88.1 | 159.3 | -70.7 | -81.1 | 0 | 0 | 0 | 107.2 | G154 N158 | G154-F156 PolarHBondContact O-N 3.38Å; G154-F156 VanDerWaalsContact O-N 3.15Å; F156-N158 PolarHBondContact O-N 3.14Å | ||
| 157 | T | 35.8 | Very low | 45.5 | Very low | 112 Ų | 112 | 118.9 Ų | 118.9 | 69% | 0.687 | 69% | 0.688 | S | S | * | * | trans | -65 | 120.1 | 170.8 | 54.7 | 0 | 0 | 0 | 0 | 108.1 | A155 K159 | A155-T157 HydrophobicContact CB-CG2 4.48Å; A155-T157 PolarHBondContact O-N 3.36Å; T157-K159 VanDerWaalsContact C-N 3.3Å; T157-K159 PolarHBondContact O-N 3.49Å | ||
| 158 | N | 32.1 | Very low | 47.9 | Very low | 172 Ų | 172 | 112.9 Ų | 112.9 | 92% | 0.92 | 65% | 0.653 | S | S | * | * | trans | -58.4 | 85.1 | 175.8 | -150.7 | -25.3 | 0 | 0 | 0 | 110 | F156 | F156-N158 PolarHBondContact O-N 3.14Š| ||
| 159 | K | 34.7 | Very low | 50.1 | Low | 180 Ų | 180 | 109.8 Ų | 109.8 | 78% | 0.783 | 62% | 0.62 | S | S | * | * | trans | -134.1 | 19.1 | -178.2 | -143.1 | 179.9 | -175.1 | 178.2 | 0 | 113.1 | T157 R161 | T157-K159 VanDerWaalsContact C-N 3.3Å; T157-K159 PolarHBondContact O-N 3.49Å; K159-R161 PolarHBondContact O-N 3.32Å | ||
| 160 | D | 36.6 | Very low | 52 | Low | 158 Ų | 158 | 106.6 Ų | 106.6 | 85% | 0.845 | 60% | 0.604 | S | S | * | * | trans | -80.5 | 72.1 | 162.2 | -75.3 | -35.4 | 0 | 0 | 0 | 108.9 | Q162 | D160-Q162 PolarHBondContact O-N 2.82Š| ||
| 161 | R | 45.8 | Very low | 53.9 | Low | 239 Ų | 239 | 110.6 Ų | 110.6 | 90% | 0.902 | 60% | 0.603 | S | S | * | * | trans | -63.5 | 100.9 | 147 | -82.9 | -176 | 175.4 | 168.5 | -1.6 | 104.3 | K159 A163 | K159-R161 PolarHBondContact O-N 3.32Å; R161-A163 VanDerWaalsContact C-N 3.29Å; R161-A163 PolarHBondContact O-N 3.31Å | ||
| 162 | Q | 56.7 | Low | 55.5 | Low | 133 Ų | 133 | 106.7 Ų | 106.7 | 62% | 0.621 | 57% | 0.572 | S | S | * | * | trans | -56 | 99.6 | 173.8 | -162.9 | 166.5 | 9.5 | 0 | 0 | 106.8 | D160 S164 | D160-Q162 PolarHBondContact O-N 2.82Å; Q162-S164 PolarHBondContact O-N 2.87Å | ||
| 163 | A | 66.6 | Low | 56.9 | Low | 74 Ų | 74 | 102 Ų | 102 | 61% | 0.612 | 56% | 0.557 | S | S | * | * | trans | -57.6 | 128.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 108 | R161 D167 | R161-A163 VanDerWaalsContact C-N 3.29Å; R161-A163 PolarHBondContact O-N 3.31Å; A163-D167 VanDerWaalsContact CA-OD2 3.22Å; A163-D167 WeakPolarHBondContact CA-OD2 3.32Å; A163-D167 WeakPolarHBondContact CB-OD2 3.4Å | ||
| 164 | S | 73.9 | Confident | 57.7 | Low | 26 Ų | 26 | 103.8 Ų | 103.8 | 18% | 0.182 | 55% | 0.553 | C | S | . | * | trans | -62.2 | 139.2 | 177.8 | -165.3 | 0 | 0 | 0 | 0 | 108 | Q162 D166 D167 | Q162-S164 PolarHBondContact O-N 2.87Å; S164-D166 WeakPolarHBondContact CB-OD1 3.34Å; S164-D166 PolarHBondContact O-N 3.18Å; S164-D166 PolarHBondContact OG-OD1 3.44Å; S164-D167 VanDerWaalsContact CB-OD1 3.28Å; S164-D167 WeakPolarHBondContact CB-OD1 3.41Å; S164-D167 VanDerWaalsContact N-CG 3.35Å; S164-D167 PolarHBondContact N-OD2 3.12Å; S164-D167 WeakPolarHBondContact O-CB 3.45Å; S164-D167 VanDerWaalsContact O-CG 3.29Å; S164-D167 PolarHBondContact O-N 3.03Å | ||
| 165 | P | 79.5 | Confident | 58.6 | Low | 49 Ų | 49 | 105.2 Ų | 105.2 | 32% | 0.318 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.8 | -14 | -176.1 | 24.1 | -35.4 | 0 | 0 | 0 | 113.7 | W168 G207 I210 | P165-W168 PolarHBondContact O-NE1 2.69Å; P165-G207 VanDerWaalsContact CG-CA 3.44Å; P165-I210 HydrophobicContact CB-CG2 3.81Å; P165-I210 HydrophobicContact CG-CG2 4.26Å |
| 166 | D | 81.5 | Confident | 59.7 | Low | 19 Ų | 19 | 104.4 Ų | 104.4 | 10% | 0.102 | 54% | 0.542 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 3.7 | 175.9 | 49.5 | 0.9 | 0 | 0 | 0 | 114.8 | S164 W168 I169 W206 I210 V247 | S164-D166 WeakPolarHBondContact CB-OD1 3.34Å; S164-D166 PolarHBondContact O-N 3.18Å; S164-D166 PolarHBondContact OG-OD1 3.44Å; D166-W168 PolarHBondContact O-N 3.12Å; D166-W168 VanDerWaalsContact O-N 3.12Å; D166-I169 HydrophobicContact CB-CD1 3.97Å; D166-I169 WeakPolarHBondContact O-CB 3.41Å; D166-I169 PolarHBondContact O-N 3.26Å; D166-W206 HydrophobicContact CB-CZ2 4.46Å; D166-W206 PolarHBondContact OD2-NE1 3.18Å; D166-I210 HydrophobicContact CB-CG1 4.35Å; D166-I210 HydrophobicContact CB-CG2 4.48Å; D166-V247 HydrophobicContact CB-CG1 3.85Å; D166-V247 WeakPolarHBondContact OD2-CG2 3.43Å |
| 167 | D | 80.2 | Confident | 60.7 | Low | 65 Ų | 65 | 102 Ų | 102 | 35% | 0.348 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57 | -32.2 | -179.2 | -79 | -15.7 | 0 | 0 | 0 | 112.7 | A163 S164 I169 S170 H171 | A163-D167 VanDerWaalsContact CA-OD2 3.22Å; A163-D167 WeakPolarHBondContact CA-OD2 3.32Å; A163-D167 WeakPolarHBondContact CB-OD2 3.4Å; S164-D167 VanDerWaalsContact CB-OD1 3.28Å; S164-D167 WeakPolarHBondContact CB-OD1 3.41Å; S164-D167 VanDerWaalsContact N-CG 3.35Å; S164-D167 PolarHBondContact N-OD2 3.12Å; S164-D167 WeakPolarHBondContact O-CB 3.45Å; S164-D167 VanDerWaalsContact O-CG 3.29Å; S164-D167 PolarHBondContact O-N 3.03Å; D167-I169 PolarHBondContact O-N 3.38Å; D167-S170 WeakPolarHBondContact O-CB 3.19Å; D167-S170 PolarHBondContact O-N 3.1Å; D167-S170 VanDerWaalsContact O-N 3.08Å; D167-H171 PolarHBondContact O-CD2 2.87Å; D167-H171 VanDerWaalsContact O-CD2 3.3Å |
| 168 | W | 83.7 | Confident | 61.5 | Low | 36 Ų | 36 | 99.5 Ų | 99.5 | 14% | 0.136 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -60.3 | -28.3 | 177.5 | 66.8 | -88.8 | 0 | 0 | 0 | 112.9 | P165 D166 S170 H171 M172 I210 K214 H218 Y251 | P165-W168 PolarHBondContact O-NE1 2.69Å; D166-W168 PolarHBondContact O-N 3.12Å; D166-W168 VanDerWaalsContact O-N 3.12Å; W168-S170 VanDerWaalsContact C-N 3.27Å; W168-S170 PolarHBondContact O-N 3.25Å; W168-H171 CarbonylContact O-C 3.57Å; W168-H171 PolarHBondContact O-N 2.97Å; W168-H171 VanDerWaalsContact O-N 3.14Å; W168-M172 HydrophobicContact CE3-CG 3.97Å; W168-M172 HydrophobicContact CE3-SD 4.17Å; W168-M172 HydrophobicContact CZ3-CG 4.05Å; W168-M172 HydrophobicContact CZ3-SD 3.67Å; W168-M172 WeakPolarHBondContact O-CG 3.49Å; W168-M172 PolarHBondContact O-N 2.92Å; W168-I210 HydrophobicContact CZ2-CD1 3.9Å; W168-I210 HydrophobicContact CZ2-CG1 4.04Å; W168-K214 HydrophobicContact CB-CD 4.37Å; W168-K214 HydrophobicContact CD2-CB 4.45Å; W168-K214 HydrophobicContact CD2-CD 3.77Å; W168-K214 HydrophobicContact CD2-CG 3.79Å; W168-K214 HydrophobicContact CE3-CD 4.47Å; W168-K214 HydrophobicContact CE3-CG 4.18Å; W168-K214 HydrophobicContact CG-CD 3.69Å; W168-K214 HydrophobicContact CG-CG 4.27Å; W168-K214 HydrophobicContact CH2-CB 4.35Å; W168-K214 HydrophobicContact CH2-CG 4.21Å; W168-K214 HydrophobicContact CZ2-CB 3.68Å; W168-K214 HydrophobicContact CZ2-CG 3.82Å; W168-K214 HydrophobicContact CZ3-CG 4.38Å; W168-H218 AromaticContact CE3-CD2 3.65Å; W168-H218 AromaticContact CE3-NE2 3.9Å; W168-H218 HydrophobicContact CH2-CB 3.88Å; W168-H218 AromaticContact CH2-CD2 3.83Å; W168-H218 AromaticContact CH2-CG 3.67Å; W168-H218 HydrophobicContact CZ3-CB 4.1Å; W168-H218 AromaticContact CZ3-CD2 3.13Å; W168-H218 WeakPolarHBondContact CZ3-CD2 3.29Å; W168-H218 AromaticContact CZ3-CE1 3.89Å; W168-H218 AromaticContact CZ3-CG 3.39Å; W168-H218 AromaticContact CZ3-ND1 3.86Å; W168-H218 AromaticContact CZ3-NE2 3.45Å; W168-H218 WeakPolarHBondContact CZ3-NE2 3.44Å; W168-Y251 AromaticContact CH2-CD2 3.99Å; W168-Y251 HydrophobicContact CH2-CD2 3.99Å; W168-Y251 AromaticContact CH2-CE2 3.46Å; W168-Y251 HydrophobicContact CH2-CE2 3.46Å; W168-Y251 VanDerWaalsContact CH2-CE2 3.46Å; W168-Y251 HydrophobicContact CZ3-CD2 4.2Å; W168-Y251 AromaticContact CZ3-CE2 3.64Å; W168-Y251 HydrophobicContact CZ3-CE2 3.64Å |
| 169 | I | 81.3 | Confident | 62.3 | Low | 5 Ų | 5 | 96.9 Ų | 96.9 | 3% | 0.026 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 177.8 | -62.6 | 172.1 | 0 | 0 | 0 | 109.6 | D166 D167 H171 M172 I210 V247 Y251 K254 | D166-I169 HydrophobicContact CB-CD1 3.97Å; D166-I169 WeakPolarHBondContact O-CB 3.41Å; D166-I169 PolarHBondContact O-N 3.26Å; D167-I169 PolarHBondContact O-N 3.38Å; I169-H171 VanDerWaalsContact C-N 3.28Å; I169-H171 PolarHBondContact O-N 3.3Å; I169-M172 PolarHBondContact O-N 3.21Å; I169-I210 HydrophobicContact CD1-CD1 4Å; I169-I210 HydrophobicContact CD1-CG1 4.1Å; I169-V247 HydrophobicContact CD1-CG1 3.32Å; I169-Y251 HydrophobicContact CD1-CD2 4.36Å; I169-Y251 HydrophobicContact CG1-CD2 4.08Å; I169-Y251 HydrophobicContact CG2-CD2 4.11Å; I169-K254 VanDerWaalsContact O-CD 3.24Å; I169-K254 WeakPolarHBondContact O-CD 3.5Å; I169-K254 WeakPolarHBondContact O-CE 3.32Å; I169-K254 PolarHBondContact O-NZ 3.15Å |
| 170 | S | 75.1 | Confident | 63.3 | Low | 85 Ų | 85 | 95.5 Ų | 95.5 | 59% | 0.594 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65 | -32.2 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | D167 W168 K254 | D167-S170 WeakPolarHBondContact O-CB 3.19Å; D167-S170 PolarHBondContact O-N 3.1Å; D167-S170 VanDerWaalsContact O-N 3.08Å; W168-S170 VanDerWaalsContact C-N 3.27Å; W168-S170 PolarHBondContact O-N 3.25Å; S170-K254 PolarHBondContact O-NZ 3.15Å |
| 171 | H | 69.9 | Low | 64.2 | Low | 158 Ų | 158 | 95 Ų | 95 | 73% | 0.731 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -95.9 | 1.3 | -178.2 | -64 | -67.5 | 0 | 0 | 0 | 115.2 | D167 W168 I169 N173 | D167-H171 PolarHBondContact O-CD2 2.87Å; D167-H171 VanDerWaalsContact O-CD2 3.3Å; W168-H171 CarbonylContact O-C 3.57Å; W168-H171 PolarHBondContact O-N 2.97Å; W168-H171 VanDerWaalsContact O-N 3.14Å; I169-H171 VanDerWaalsContact C-N 3.28Å; I169-H171 PolarHBondContact O-N 3.3Å; H171-N173 PolarHBondContact O-N 2.97Å |
| 172 | M | 70 | Confident | 64.6 | Low | 34 Ų | 34 | 84.3 Ų | 84.3 | 17% | 0.167 | 47% | 0.472 | C | S | . | . | trans | -54 | 112.3 | 172.8 | -74.3 | 179.5 | 68.5 | 0 | 0 | 110.1 | W168 I169 H218 Y251 K254 L255 | W168-M172 HydrophobicContact CE3-CG 3.97Å; W168-M172 HydrophobicContact CE3-SD 4.17Å; W168-M172 HydrophobicContact CZ3-CG 4.05Å; W168-M172 HydrophobicContact CZ3-SD 3.67Å; W168-M172 WeakPolarHBondContact O-CG 3.49Å; W168-M172 PolarHBondContact O-N 2.92Å; I169-M172 PolarHBondContact O-N 3.21Å; M172-H218 WeakPolarHBondContact CE-CE1 3.34Å; M172-Y251 HydrophobicContact CE-CD2 4.3Å; M172-Y251 HydrophobicContact CE-CE2 3.78Å; M172-Y251 HydrophobicContact SD-CD2 3.51Å; M172-Y251 VanDerWaalsContact SD-CD2 3.51Å; M172-Y251 HydrophobicContact SD-CE2 3.4Å; M172-Y251 WeakPolarHBondContact SD-CE2 3.3Å; M172-K254 HydrophobicContact CB-CD 3.93Å; M172-K254 PolarHBondContact O-NZ 2.7Å; M172-K254 HydrophobicContact SD-CD 4.38Å; M172-L255 HydrophobicContact CE-CD2 3.97Å | ||
| 173 | N | 61.2 | Low | 64.6 | Low | 114 Ų | 114 | 81.6 Ų | 81.6 | 61% | 0.61 | 47% | 0.466 | S | S | * | . | trans | -84 | 142.3 | 168.9 | -160.3 | 17.9 | 0 | 0 | 0 | 107.9 | H171 S175 | H171-N173 PolarHBondContact O-N 2.97Å; N173-S175 PolarHBondContact O-N 3.3Å | ||
| 174 | E | 54.7 | Low | 64 | Low | 163 Ų | 163 | 82.7 Ų | 82.7 | 76% | 0.762 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -4.4 | -175.3 | -69.5 | 174.2 | 175.2 | 0 | 0 | 113.6 | ||
| 175 | S | 50 | Low | 63.2 | Low | 89 Ų | 89 | 84.3 Ų | 84.3 | 62% | 0.622 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 3.7 | -167.8 | -34 | 0 | 0 | 0 | 0 | 115.6 | N173 Q177 | N173-S175 PolarHBondContact O-N 3.3Å; S175-Q177 PolarHBondContact O-N 3.41Å |
| 176 | S | 52.8 | Low | 62.4 | Low | 72 Ų | 72 | 84 Ų | 84 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | trans | -79.2 | 60.3 | 177 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | T178 R227 | S176-T178 PolarHBondContact O-N 3.02Å; S176-R227 PolarHBondContact O-NH2 2.86Å | ||
| 177 | Q | 52.1 | Low | 61.4 | Low | 159 Ų | 159 | 86.4 Ų | 86.4 | 74% | 0.743 | 49% | 0.491 | S | S | * | . | trans | -84.9 | 91.5 | 164.2 | -68.5 | -177.6 | 17.9 | 0 | 0 | 107.7 | S175 S179 | S175-Q177 PolarHBondContact O-N 3.41Å; Q177-S179 PolarHBondContact O-N 2.89Å | ||
| 178 | T | 53.1 | Low | 60.5 | Low | 59 Ų | 59 | 88.8 Ų | 88.8 | 36% | 0.362 | 51% | 0.513 | S | S | . | . | trans | -70.8 | 108.5 | 158.3 | 31.4 | 0 | 0 | 0 | 0 | 106.8 | S176 F180 G222 | S176-T178 PolarHBondContact O-N 3.02Å; T178-F180 PolarHBondContact O-N 2.86Å; T178-G222 WeakPolarHBondContact O-CA 3.41Å | ||
| 179 | S | 49.1 | Very low | 59.2 | Low | 118 Ų | 118 | 93.9 Ų | 93.9 | 83% | 0.825 | 54% | 0.538 | S | S | * | . | trans | -74.1 | 67.1 | -179 | 31.3 | 0 | 0 | 0 | 0 | 111.2 | Q177 | Q177-S179 PolarHBondContact O-N 2.89Š| ||
| 180 | F | 55.2 | Low | 57.9 | Low | 151 Ų | 151 | 97.6 Ų | 97.6 | 66% | 0.662 | 56% | 0.556 | S | S | * | * | trans | -113.7 | 113.3 | 162 | -68.9 | -77.1 | 0 | 0 | 0 | 108.2 | T178 T182 | T178-F180 PolarHBondContact O-N 2.86Å; F180-T182 VanDerWaalsContact C-N 3.35Å; F180-T182 PolarHBondContact O-N 3.37Å; F180-T182 PolarHBondContact O-OG1 2.78Å | ||
| 181 | V | 55.1 | Low | 56.7 | Low | 148 Ų | 148 | 96.4 Ų | 96.4 | 90% | 0.897 | 55% | 0.552 | S | S | * | * | trans | -73.1 | 94.8 | 170.5 | -179.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 182 | T | 55.2 | Low | 55.8 | Low | 13 Ų | 13 | 95.5 Ų | 95.5 | 8% | 0.08 | 56% | 0.56 | C | S | . | * | trans | -87.4 | 123.8 | 176.9 | -10.1 | 0 | 0 | 0 | 0 | 109 | F180 W186 Q226 | F180-T182 VanDerWaalsContact C-N 3.35Å; F180-T182 PolarHBondContact O-N 3.37Å; F180-T182 PolarHBondContact O-OG1 2.78Å; T182-W186 HydrophobicContact CG2-CB 3.6Å; T182-W186 HydrophobicContact CG2-CD2 3.45Å; T182-W186 VanDerWaalsContact CG2-CD2 3.45Å; T182-W186 HydrophobicContact CG2-CE3 4.19Å; T182-W186 HydrophobicContact CG2-CG 3.16Å; T182-Q226 PolarHBondContact O-NE2 3.17Å | ||
| 183 | P | 56.1 | Low | 55 | Low | 76 Ų | 76 | 98.2 Ų | 98.2 | 49% | 0.494 | 59% | 0.588 | S | S | . | * | trans | -58.8 | 147.9 | 173.4 | -21.5 | 32 | 0 | 0 | 0 | 110.6 | S185 W186 | P183-S185 WeakPolarHBondContact CB-OG 3.41Å; P183-S185 PolarHBondContact O-N 3.2Å; P183-W186 WeakPolarHBondContact O-CB 3.32Å; P183-W186 PolarHBondContact O-N 3.39Å | ||
| 184 | A | 53.4 | Low | 55 | Low | 98 Ų | 98 | 95.6 Ų | 95.6 | 81% | 0.81 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -20 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | W186 | A184-W186 VanDerWaalsContact C-N 3.28Å; A184-W186 PolarHBondContact O-N 2.94Å |
| 185 | S | 57.5 | Low | 55.9 | Low | 59 Ų | 59 | 94.6 Ų | 94.6 | 41% | 0.413 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.4 | -13.8 | 172.9 | 58.6 | 0 | 0 | 0 | 0 | 114 | P183 L187 S188 E189 | P183-S185 WeakPolarHBondContact CB-OG 3.41Å; P183-S185 PolarHBondContact O-N 3.2Å; S185-L187 VanDerWaalsContact C-N 3.3Å; S185-L187 PolarHBondContact O-N 3.4Å; S185-S188 CarbonylContact O-C 3.59Å; S185-S188 WeakPolarHBondContact O-CA 3.49Å; S185-S188 WeakPolarHBondContact O-CB 3.26Å; S185-S188 PolarHBondContact O-N 3.09Å; S185-E189 WeakPolarHBondContact O-CB 3.26Å; S185-E189 PolarHBondContact O-N 2.96Å |
| 186 | W | 64.1 | Low | 57.3 | Low | 44 Ų | 44 | 91.2 Ų | 91.2 | 17% | 0.167 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -59.1 | -37.1 | -171.1 | -178.1 | 85.5 | 0 | 0 | 0 | 113.5 | T182 P183 A184 S188 E189 M190 V220 V221 | T182-W186 HydrophobicContact CG2-CB 3.6Å; T182-W186 HydrophobicContact CG2-CD2 3.45Å; T182-W186 VanDerWaalsContact CG2-CD2 3.45Å; T182-W186 HydrophobicContact CG2-CE3 4.19Å; T182-W186 HydrophobicContact CG2-CG 3.16Å; P183-W186 WeakPolarHBondContact O-CB 3.32Å; P183-W186 PolarHBondContact O-N 3.39Å; A184-W186 VanDerWaalsContact C-N 3.28Å; A184-W186 PolarHBondContact O-N 2.94Å; W186-S188 VanDerWaalsContact C-N 3.27Å; W186-S188 PolarHBondContact O-N 3.22Å; W186-E189 CarbonylContact O-C 3.56Å; W186-E189 PolarHBondContact O-N 2.93Å; W186-E189 VanDerWaalsContact O-N 3.1Å; W186-M190 HydrophobicContact CD2-CE 4.46Å; W186-M190 HydrophobicContact CD2-CG 3.39Å; W186-M190 HydrophobicContact CD2-SD 4.37Å; W186-M190 VanDerWaalsContact CE2-CE 3.43Å; W186-M190 HydrophobicContact CE3-CG 3.78Å; W186-M190 HydrophobicContact CG-CG 3.99Å; W186-M190 HydrophobicContact CH2-CG 3.64Å; W186-M190 HydrophobicContact CH2-SD 3.89Å; W186-M190 HydrophobicContact CZ2-CE 3.64Å; W186-M190 HydrophobicContact CZ2-CG 3.27Å; W186-M190 HydrophobicContact CZ2-SD 3.2Å; W186-M190 WeakPolarHBondContact CZ2-SD 3.45Å; W186-M190 HydrophobicContact CZ3-CG 3.89Å; W186-M190 VanDerWaalsContact O-CB 3.29Å; W186-M190 WeakPolarHBondContact O-CB 3.33Å; W186-M190 VanDerWaalsContact O-CG 3.25Å; W186-M190 WeakPolarHBondContact O-CG 3.43Å; W186-M190 PolarHBondContact O-N 2.9Å; W186-V220 HydrophobicContact CH2-CB 3.85Å; W186-V220 HydrophobicContact CH2-CG1 3.32Å; W186-V220 HydrophobicContact CH2-CG2 4.3Å; W186-V220 HydrophobicContact CZ2-CB 4.33Å; W186-V220 HydrophobicContact CZ2-CG1 3.31Å; W186-V220 HydrophobicContact CZ3-CG1 4.22Å; W186-V221 HydrophobicContact CZ3-CG2 4.44Å |
| 187 | L | 59.4 | Low | 58.7 | Low | 69 Ų | 69 | 92.2 Ų | 92.2 | 36% | 0.361 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.4 | -29.6 | 174.3 | -77.7 | -177.5 | 0 | 0 | 0 | 113.6 | S185 E189 I230 | S185-L187 VanDerWaalsContact C-N 3.3Å; S185-L187 PolarHBondContact O-N 3.4Å; L187-E189 VanDerWaalsContact C-N 3.33Å; L187-I230 HydrophobicContact CD1-CB 4.05Å; L187-I230 HydrophobicContact CD1-CD1 3.57Å; L187-I230 HydrophobicContact CD1-CG1 3.42Å; L187-I230 VanDerWaalsContact CD1-CG1 3.42Å; L187-I230 HydrophobicContact CD1-CG2 3.52Å; L187-I230 HydrophobicContact CG-CD1 4.08Å; L187-I230 HydrophobicContact CG-CG1 4.43Å |
| 188 | S | 60.7 | Low | 60.2 | Low | 114 Ų | 114 | 87.9 Ų | 87.9 | 80% | 0.797 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -79.4 | -20.9 | 173.8 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | S185 W186 | S185-S188 CarbonylContact O-C 3.59Å; S185-S188 WeakPolarHBondContact O-CA 3.49Å; S185-S188 WeakPolarHBondContact O-CB 3.26Å; S185-S188 PolarHBondContact O-N 3.09Å; W186-S188 VanDerWaalsContact C-N 3.27Å; W186-S188 PolarHBondContact O-N 3.22Å |
| 189 | E | 56.6 | Low | 61.7 | Low | 143 Ų | 143 | 85.2 Ų | 85.2 | 67% | 0.668 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -102.3 | -17.6 | -173 | -160.9 | 170 | -169.1 | 0 | 0 | 113.7 | S185 W186 L187 A191 | S185-E189 WeakPolarHBondContact O-CB 3.26Å; S185-E189 PolarHBondContact O-N 2.96Å; W186-E189 CarbonylContact O-C 3.56Å; W186-E189 PolarHBondContact O-N 2.93Å; W186-E189 VanDerWaalsContact O-N 3.1Å; L187-E189 VanDerWaalsContact C-N 3.33Å; E189-A191 PolarHBondContact O-N 3.39Å |
| 190 | M | 54.8 | Low | 63.2 | Low | 83 Ų | 83 | 82.4 Ų | 82.4 | 41% | 0.409 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -67.3 | 23 | 177.4 | -89.5 | -74.8 | 125 | 0 | 0 | 115.7 | W186 | W186-M190 HydrophobicContact CD2-CE 4.46Å; W186-M190 HydrophobicContact CD2-CG 3.39Å; W186-M190 HydrophobicContact CD2-SD 4.37Å; W186-M190 VanDerWaalsContact CE2-CE 3.43Å; W186-M190 HydrophobicContact CE3-CG 3.78Å; W186-M190 HydrophobicContact CG-CG 3.99Å; W186-M190 HydrophobicContact CH2-CG 3.64Å; W186-M190 HydrophobicContact CH2-SD 3.89Å; W186-M190 HydrophobicContact CZ2-CE 3.64Å; W186-M190 HydrophobicContact CZ2-CG 3.27Å; W186-M190 HydrophobicContact CZ2-SD 3.2Å; W186-M190 WeakPolarHBondContact CZ2-SD 3.45Å; W186-M190 HydrophobicContact CZ3-CG 3.89Å; W186-M190 VanDerWaalsContact O-CB 3.29Å; W186-M190 WeakPolarHBondContact O-CB 3.33Å; W186-M190 VanDerWaalsContact O-CG 3.25Å; W186-M190 WeakPolarHBondContact O-CG 3.43Å; W186-M190 PolarHBondContact O-N 2.9Å |
| 191 | A | 49.3 | Very low | 64.1 | Low | 61 Ų | 61 | 75.7 Ų | 75.7 | 50% | 0.504 | 47% | 0.467 | S | S | . | . | trans | 68.6 | 148 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E189 A193 V194 | E189-A191 PolarHBondContact O-N 3.39Å; A191-A193 PolarHBondContact O-N 3.35Å; A191-V194 PolarHBondContact O-N 2.96Å | ||
| 192 | P | 51.8 | Low | 65 | Low | 139 Ų | 139 | 71.1 Ų | 71.1 | 90% | 0.903 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -1 | 177 | 21.7 | -32.3 | 0 | 0 | 0 | 115 | ||
| 193 | A | 53.2 | Low | 65.8 | Low | 91 Ų | 91 | 71.8 Ų | 71.8 | 75% | 0.752 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -21.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A191 | A191-A193 PolarHBondContact O-N 3.35Š|
| 194 | V | 61.5 | Low | 66.7 | Low | 58 Ų | 58 | 70.6 Ų | 70.6 | 35% | 0.352 | 43% | 0.429 | S | S | . | . | trans | -110.8 | 65 | -177.1 | -169.8 | 0 | 0 | 0 | 0 | 110.4 | A191 I196 F216 | A191-V194 PolarHBondContact O-N 2.96Å; V194-I196 PolarHBondContact O-N 3.48Å; V194-F216 HydrophobicContact CG1-CB 4.12Å; V194-F216 HydrophobicContact CG1-CD1 3.37Å; V194-F216 HydrophobicContact CG1-CD2 3.6Å; V194-F216 HydrophobicContact CG1-CE1 3.52Å; V194-F216 HydrophobicContact CG1-CE2 3.77Å; V194-F216 HydrophobicContact CG1-CG 3.42Å; V194-F216 VanDerWaalsContact CG1-CG 3.42Å; V194-F216 HydrophobicContact CG1-CZ 3.73Å; V194-F216 HydrophobicContact CG2-CE1 4.17Å | ||
| 195 | H | 72.5 | Confident | 68.1 | Low | 142 Ų | 142 | 70.6 Ų | 70.6 | 66% | 0.657 | 41% | 0.411 | S | S | * | . | trans | -82.1 | 97.1 | 173.2 | -179.7 | -81.6 | 0 | 0 | 0 | 110.1 | V197 | H195-V197 PolarHBondContact O-N 3.05Å; H195-V197 VanDerWaalsContact O-N 3.17Å | ||
| 196 | I | 79.7 | Confident | 69.4 | Low | 19 Ų | 19 | 68.3 Ų | 68.3 | 10% | 0.097 | 39% | 0.393 | C | S | . | . | trans | -70.6 | 110.2 | 166.5 | -52 | 175.3 | 0 | 0 | 0 | 107.4 | V194 P198 F209 F216 V217 L234 | V194-I196 PolarHBondContact O-N 3.48Å; I196-P198 WeakPolarHBondContact O-CD 3.41Å; I196-F209 HydrophobicContact CG2-CD2 4.29Å; I196-F209 HydrophobicContact CG2-CE2 4.23Å; I196-F216 HydrophobicContact CD1-CB 3.76Å; I196-F216 HydrophobicContact CD1-CD2 4.31Å; I196-F216 HydrophobicContact CD1-CG 4.49Å; I196-F216 HydrophobicContact CG1-CB 4.37Å; I196-F216 HydrophobicContact CG1-CD2 4.09Å; I196-V217 HydrophobicContact CD1-CG2 3.58Å; I196-L234 HydrophobicContact CB-CD1 4.22Å; I196-L234 HydrophobicContact CB-CD2 4.2Å; I196-L234 HydrophobicContact CD1-CD1 4.09Å; I196-L234 HydrophobicContact CG2-CD1 3.96Å; I196-L234 HydrophobicContact CG2-CD2 4.32Å | ||
| 197 | V | 82.2 | Confident | 70.3 | Confident | 92 Ų | 92 | 67.3 Ų | 67.3 | 56% | 0.558 | 40% | 0.396 | S | S | * | . | trans | -62.7 | 126.3 | 178 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | H195 F199 | H195-V197 PolarHBondContact O-N 3.05Å; H195-V197 VanDerWaalsContact O-N 3.17Å; V197-F199 PolarHBondContact O-N 3.18Å | ||
| 198 | P | 84.1 | Confident | 71.5 | Confident | 68 Ų | 68 | 71 Ų | 71 | 44% | 0.442 | 41% | 0.413 | S | S | . | . | trans | -54.4 | 136.4 | 174.4 | -26.7 | 34.7 | 0 | 0 | 0 | 111.4 | I196 D200 L234 | I196-P198 WeakPolarHBondContact O-CD 3.41Å; P198-D200 PolarHBondContact O-N 3.46Å; P198-L234 CarbonylContact C-O 3.57Å; P198-L234 VanDerWaalsContact CA-O 3.27Å; P198-L234 WeakPolarHBondContact CA-O 3.47Å | ||
| 199 | F | 83.5 | Confident | 72.8 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.018 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -74.5 | 114.9 | 179.9 | -171.9 | -117.8 | 0 | 0 | 0 | 110.3 | V197 G201 N202 K205 W206 F209 L234 L235 D236 L240 | V197-F199 PolarHBondContact O-N 3.18Å; F199-G201 VanDerWaalsContact CE1-CA 3.47Å; F199-G201 PolarHBondContact O-N 3.42Å; F199-N202 WeakPolarHBondContact CE2-O 3.28Å; F199-N202 WeakPolarHBondContact CZ-O 3.39Å; F199-K205 HydrophobicContact CE2-CB 4.3Å; F199-W206 HydrophobicContact CD1-CE3 4.28Å; F199-W206 HydrophobicContact CD1-CZ3 4.41Å; F199-W206 HydrophobicContact CD2-CE3 4.43Å; F199-W206 AromaticContact CE1-CE3 3.88Å; F199-W206 HydrophobicContact CE1-CE3 3.88Å; F199-W206 HydrophobicContact CE1-CZ3 4.32Å; F199-W206 HydrophobicContact CE2-CB 4.14Å; F199-W206 HydrophobicContact CE2-CE3 4.05Å; F199-W206 HydrophobicContact CZ-CB 4.19Å; F199-W206 AromaticContact CZ-CE3 3.76Å; F199-W206 HydrophobicContact CZ-CE3 3.76Å; F199-F209 HydrophobicContact CB-CD1 3.96Å; F199-F209 HydrophobicContact CB-CD2 3.7Å; F199-F209 HydrophobicContact CB-CE1 4.05Å; F199-F209 HydrophobicContact CB-CE2 3.79Å; F199-F209 HydrophobicContact CB-CG 3.78Å; F199-F209 HydrophobicContact CB-CZ 3.97Å; F199-F209 HydrophobicContact CD2-CB 3.87Å; F199-F209 HydrophobicContact CD2-CD1 4.17Å; F199-F209 AromaticContact CD2-CG 3.93Å; F199-F209 HydrophobicContact CD2-CG 3.93Å; F199-F209 HydrophobicContact CG-CB 4.49Å; F199-F209 HydrophobicContact CG-CD1 4.04Å; F199-F209 HydrophobicContact CG-CD2 4.46Å; F199-F209 HydrophobicContact CG-CE1 4.43Å; F199-F209 HydrophobicContact CG-CG 4.05Å; F199-L234 PolarHBondContact N-O 3.25Å; F199-L235 HydrophobicContact CB-CD2 3.78Å; F199-L235 HydrophobicContact CD1-CD2 4.08Å; F199-L235 HydrophobicContact CG-CD2 4.35Å; F199-D236 PolarHBondContact O-N 3.23Å; F199-L240 HydrophobicContact CD1-CD2 3.58Å; F199-L240 HydrophobicContact CE1-CD2 3.73Å |
| 200 | D | 81 | Confident | 74.3 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 31% | 0.31 | 35% | 0.347 | S | S | . | . | trans | -82 | 1.6 | -177.5 | 63.2 | -0.8 | 0 | 0 | 0 | 113.8 | P198 N202 K205 R239 | P198-D200 PolarHBondContact O-N 3.46Å; D200-N202 WeakPolarHBondContact OD1-CB 3.37Å; D200-N202 PolarHBondContact OD1-N 2.89Å; D200-K205 IonicContact OD2-NZ 3.2Å; D200-K205 PolarHBondContact OD2-NZ 3.37Å; D200-R239 VanDerWaalsContact O-CB 3.32Å; D200-R239 WeakPolarHBondContact O-CB 3.37Å; D200-R239 WeakPolarHBondContact O-CD 3.14Å | ||
| 201 | G | 73.9 | Confident | 75.7 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 11% | 0.113 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 91.5 | -5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | F199 P203 R239 | F199-G201 VanDerWaalsContact CE1-CA 3.47Å; F199-G201 PolarHBondContact O-N 3.42Å; G201-P203 WeakPolarHBondContact O-CD 3.29Å; G201-R239 WeakPolarHBondContact CA-O 3.44Å |
| 202 | N | 74.5 | Confident | 77.6 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | trans | -72.3 | 117.7 | -177.1 | -176.2 | -14.6 | 0 | 0 | 0 | 111.4 | F199 D200 F204 K205 W206 | F199-N202 WeakPolarHBondContact CE2-O 3.28Å; F199-N202 WeakPolarHBondContact CZ-O 3.39Å; D200-N202 WeakPolarHBondContact OD1-CB 3.37Å; D200-N202 PolarHBondContact OD1-N 2.89Å; N202-F204 PolarHBondContact O-N 3.49Å; N202-F204 VanDerWaalsContact O-N 3.13Å; N202-F204 WeakPolarHBondContact OD1-CB 3.43Å; N202-F204 WeakPolarHBondContact OD1-CD2 3.47Å; N202-F204 PolarHBondContact OD1-N 2.89Å; N202-K205 HydrophobicContact CB-CB 4.35Å; N202-K205 HydrophobicContact CB-CD 4.15Å; N202-K205 HydrophobicContact CB-CG 4.15Å; N202-K205 PolarHBondContact O-N 3.49Å; N202-W206 PolarHBondContact O-N 3.25Å | ||
| 203 | P | 73 | Confident | 79.3 | Confident | 26 Ų | 26 | 50.7 Ų | 50.7 | 17% | 0.169 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -61.7 | -26.5 | -177.4 | 25.7 | -35.2 | 0 | 0 | 0 | 113.6 | G201 K205 W206 I275 | G201-P203 WeakPolarHBondContact O-CD 3.29Å; P203-K205 VanDerWaalsContact C-N 3.28Å; P203-K205 PolarHBondContact O-N 3.03Å; P203-W206 VanDerWaalsContact O-CB 3.32Å; P203-W206 WeakPolarHBondContact O-CB 3.43Å; P203-W206 PolarHBondContact O-N 3.08Å; P203-I275 HydrophobicContact CB-CD1 4.31Å; P203-I275 HydrophobicContact CB-CG1 4.26Å; P203-I275 HydrophobicContact CB-CG2 4.34Å |
| 204 | F | 74.8 | Confident | 81 | Confident | 51 Ų | 51 | 49.7 Ų | 49.7 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -71.3 | -24.8 | 177.2 | -57.6 | -66.4 | 0 | 0 | 0 | 112.5 | N202 K282 V307 V310 | N202-F204 PolarHBondContact O-N 3.49Å; N202-F204 VanDerWaalsContact O-N 3.13Å; N202-F204 WeakPolarHBondContact OD1-CB 3.43Å; N202-F204 WeakPolarHBondContact OD1-CD2 3.47Å; N202-F204 PolarHBondContact OD1-N 2.89Å; F204-K282 HydrophobicContact CD2-CD 3.93Å; F204-K282 HydrophobicContact CE1-CD 4.18Å; F204-K282 HydrophobicContact CE2-CB 4.34Å; F204-K282 HydrophobicContact CE2-CD 3.36Å; F204-K282 HydrophobicContact CE2-CG 4.45Å; F204-K282 HydrophobicContact CZ-CB 4.18Å; F204-K282 HydrophobicContact CZ-CD 3.53Å; F204-K282 HydrophobicContact CZ-CG 4.45Å; F204-V307 HydrophobicContact CE1-CB 4.21Å; F204-V307 HydrophobicContact CE1-CG1 4.3Å; F204-V307 HydrophobicContact CE1-CG2 3.75Å; F204-V307 HydrophobicContact CZ-CG1 4.5Å; F204-V307 HydrophobicContact CZ-CG2 3.96Å; F204-V310 HydrophobicContact CD1-CB 4.47Å; F204-V310 HydrophobicContact CD1-CG2 3.59Å; F204-V310 HydrophobicContact CE1-CB 4.24Å; F204-V310 HydrophobicContact CE1-CG2 3.85Å |
| 205 | K | 82.8 | Confident | 82.1 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -89.1 | -8.4 | 176.8 | -63 | -177.3 | -177.6 | 172.1 | 0 | 112.7 | F199 D200 N202 P203 G207 M208 F209 | F199-K205 HydrophobicContact CE2-CB 4.3Å; D200-K205 IonicContact OD2-NZ 3.2Å; D200-K205 PolarHBondContact OD2-NZ 3.37Å; N202-K205 HydrophobicContact CB-CB 4.35Å; N202-K205 HydrophobicContact CB-CD 4.15Å; N202-K205 HydrophobicContact CB-CG 4.15Å; N202-K205 PolarHBondContact O-N 3.49Å; P203-K205 VanDerWaalsContact C-N 3.28Å; P203-K205 PolarHBondContact O-N 3.03Å; K205-G207 PolarHBondContact O-N 2.85Å; K205-M208 PolarHBondContact O-N 3.47Å; K205-F209 WeakPolarHBondContact O-CB 3.25Å; K205-F209 PolarHBondContact O-N 3.49Å |
| 206 | W | 83.3 | Confident | 82.8 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.7 | -46.5 | -175.2 | 176.5 | -113.5 | 0 | 0 | 0 | 112.1 | D166 F199 N202 P203 M208 F209 I210 S244 V247 I248 | D166-W206 HydrophobicContact CB-CZ2 4.46Å; D166-W206 PolarHBondContact OD2-NE1 3.18Å; F199-W206 HydrophobicContact CD1-CE3 4.28Å; F199-W206 HydrophobicContact CD1-CZ3 4.41Å; F199-W206 HydrophobicContact CD2-CE3 4.43Å; F199-W206 AromaticContact CE1-CE3 3.88Å; F199-W206 HydrophobicContact CE1-CE3 3.88Å; F199-W206 HydrophobicContact CE1-CZ3 4.32Å; F199-W206 HydrophobicContact CE2-CB 4.14Å; F199-W206 HydrophobicContact CE2-CE3 4.05Å; F199-W206 HydrophobicContact CZ-CB 4.19Å; F199-W206 AromaticContact CZ-CE3 3.76Å; F199-W206 HydrophobicContact CZ-CE3 3.76Å; N202-W206 PolarHBondContact O-N 3.25Å; P203-W206 VanDerWaalsContact O-CB 3.32Å; P203-W206 WeakPolarHBondContact O-CB 3.43Å; P203-W206 PolarHBondContact O-N 3.08Å; W206-M208 PolarHBondContact O-N 3.15Å; W206-F209 AromaticContact CE3-CD1 3.91Å; W206-F209 HydrophobicContact CE3-CD1 3.91Å; W206-F209 HydrophobicContact CH2-CD1 4.45Å; W206-F209 AromaticContact CZ3-CD1 3.64Å; W206-F209 HydrophobicContact CZ3-CD1 3.64Å; W206-F209 AromaticContact CZ3-CE1 3.86Å; W206-F209 HydrophobicContact CZ3-CE1 3.86Å; W206-F209 PolarHBondContact O-N 2.94Å; W206-I210 HydrophobicContact CD2-CB 4.41Å; W206-I210 HydrophobicContact CH2-CB 4.27Å; W206-I210 HydrophobicContact CH2-CD1 3.8Å; W206-I210 HydrophobicContact CH2-CG1 4.17Å; W206-I210 HydrophobicContact CZ2-CB 3.94Å; W206-I210 HydrophobicContact CZ2-CD1 3.91Å; W206-I210 HydrophobicContact CZ2-CG1 3.79Å; W206-I210 WeakPolarHBondContact O-CB 3.49Å; W206-I210 VanDerWaalsContact O-CG2 3.3Å; W206-I210 WeakPolarHBondContact O-CG2 3.39Å; W206-I210 PolarHBondContact O-N 3.3Å; W206-S244 VanDerWaalsContact CE3-CB 3.46Å; W206-V247 HydrophobicContact CH2-CG1 4.34Å; W206-V247 HydrophobicContact CZ2-CB 3.92Å; W206-V247 HydrophobicContact CZ2-CG1 3.56Å; W206-I248 HydrophobicContact CH2-CD1 4.06Å; W206-I248 HydrophobicContact CH2-CG1 3.72Å; W206-I248 HydrophobicContact CZ3-CD1 3.85Å; W206-I248 HydrophobicContact CZ3-CG1 4.05Å |
| 207 | G | 83 | Confident | 83 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -43.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P165 K205 S211 | P165-G207 VanDerWaalsContact CG-CA 3.44Å; K205-G207 PolarHBondContact O-N 2.85Å; G207-S211 VanDerWaalsContact O-CB 3.26Å; G207-S211 WeakPolarHBondContact O-CB 3.41Å; G207-S211 PolarHBondContact O-N 3.32Å; G207-S211 VanDerWaalsContact O-N 3.14Å; G207-S211 PolarHBondContact O-OG 3.01Å |
| 208 | M | 85.8 | Confident | 83.2 | Confident | 148 Ų | 148 | 41.8 Ų | 41.8 | 73% | 0.729 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62.8 | -51.6 | 174.4 | -71.1 | -91.5 | -78.5 | 0 | 0 | 110.5 | K205 W206 I210 S211 S212 | K205-M208 PolarHBondContact O-N 3.47Å; W206-M208 PolarHBondContact O-N 3.15Å; M208-I210 PolarHBondContact O-N 3.34Å; M208-S211 PolarHBondContact O-N 3.17Å; M208-S212 PolarHBondContact O-N 3.11Å; M208-S212 PolarHBondContact O-OG 2.9Å; M208-S212 VanDerWaalsContact O-OG 3.11Å |
| 209 | F | 88.7 | Confident | 83.2 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.3 | -51.9 | -179.1 | 170.9 | -100.8 | 0 | 0 | 0 | 112.3 | I196 F199 K205 W206 S211 S212 F213 L231 L234 L235 | I196-F209 HydrophobicContact CG2-CD2 4.29Å; I196-F209 HydrophobicContact CG2-CE2 4.23Å; F199-F209 HydrophobicContact CB-CD1 3.96Å; F199-F209 HydrophobicContact CB-CD2 3.7Å; F199-F209 HydrophobicContact CB-CE1 4.05Å; F199-F209 HydrophobicContact CB-CE2 3.79Å; F199-F209 HydrophobicContact CB-CG 3.78Å; F199-F209 HydrophobicContact CB-CZ 3.97Å; F199-F209 HydrophobicContact CD2-CB 3.87Å; F199-F209 HydrophobicContact CD2-CD1 4.17Å; F199-F209 AromaticContact CD2-CG 3.93Å; F199-F209 HydrophobicContact CD2-CG 3.93Å; F199-F209 HydrophobicContact CG-CB 4.49Å; F199-F209 HydrophobicContact CG-CD1 4.04Å; F199-F209 HydrophobicContact CG-CD2 4.46Å; F199-F209 HydrophobicContact CG-CE1 4.43Å; F199-F209 HydrophobicContact CG-CG 4.05Å; K205-F209 WeakPolarHBondContact O-CB 3.25Å; K205-F209 PolarHBondContact O-N 3.49Å; W206-F209 AromaticContact CE3-CD1 3.91Å; W206-F209 HydrophobicContact CE3-CD1 3.91Å; W206-F209 HydrophobicContact CH2-CD1 4.45Å; W206-F209 AromaticContact CZ3-CD1 3.64Å; W206-F209 HydrophobicContact CZ3-CD1 3.64Å; W206-F209 AromaticContact CZ3-CE1 3.86Å; W206-F209 HydrophobicContact CZ3-CE1 3.86Å; W206-F209 PolarHBondContact O-N 2.94Å; F209-S211 VanDerWaalsContact C-N 3.3Å; F209-S211 PolarHBondContact O-N 2.81Å; F209-S212 PolarHBondContact O-N 3.39Å; F209-F213 WeakPolarHBondContact O-CB 3.3Å; F209-F213 PolarHBondContact O-N 3.15Å; F209-L231 HydrophobicContact CE1-CD1 4.34Å; F209-L231 HydrophobicContact CZ-CD1 4.09Å; F209-L234 HydrophobicContact CE2-CB 3.98Å; F209-L234 HydrophobicContact CZ-CB 4.21Å; F209-L235 HydrophobicContact CE1-CD2 3.65Å; F209-L235 HydrophobicContact CE2-CD2 4.48Å; F209-L235 HydrophobicContact CZ-CD2 3.53Å; F209-L235 HydrophobicContact CZ-CG 4.37Å |
| 210 | I | 86.1 | Confident | 83.2 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.9 | -31.7 | -174.4 | -162.8 | 56.2 | 0 | 0 | 0 | 111.8 | P165 D166 W168 I169 W206 M208 F213 K214 | P165-I210 HydrophobicContact CB-CG2 3.81Å; P165-I210 HydrophobicContact CG-CG2 4.26Å; D166-I210 HydrophobicContact CB-CG1 4.35Å; D166-I210 HydrophobicContact CB-CG2 4.48Å; W168-I210 HydrophobicContact CZ2-CD1 3.9Å; W168-I210 HydrophobicContact CZ2-CG1 4.04Å; I169-I210 HydrophobicContact CD1-CD1 4Å; I169-I210 HydrophobicContact CD1-CG1 4.1Å; W206-I210 HydrophobicContact CD2-CB 4.41Å; W206-I210 HydrophobicContact CH2-CB 4.27Å; W206-I210 HydrophobicContact CH2-CD1 3.8Å; W206-I210 HydrophobicContact CH2-CG1 4.17Å; W206-I210 HydrophobicContact CZ2-CB 3.94Å; W206-I210 HydrophobicContact CZ2-CD1 3.91Å; W206-I210 HydrophobicContact CZ2-CG1 3.79Å; W206-I210 WeakPolarHBondContact O-CB 3.49Å; W206-I210 VanDerWaalsContact O-CG2 3.3Å; W206-I210 WeakPolarHBondContact O-CG2 3.39Å; W206-I210 PolarHBondContact O-N 3.3Å; M208-I210 PolarHBondContact O-N 3.34Å; I210-F213 HydrophobicContact CD1-CD1 4.4Å; I210-K214 VanDerWaalsContact O-CB 3.3Å; I210-K214 WeakPolarHBondContact O-CB 3.28Å; I210-K214 PolarHBondContact O-N 3.09Å |
| 211 | S | 86.1 | Confident | 83.1 | Confident | 56 Ų | 56 | 41.9 Ų | 41.9 | 39% | 0.392 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.6 | -46.3 | 173.9 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | G207 M208 F209 K214 S215 | G207-S211 VanDerWaalsContact O-CB 3.26Å; G207-S211 WeakPolarHBondContact O-CB 3.41Å; G207-S211 PolarHBondContact O-N 3.32Å; G207-S211 VanDerWaalsContact O-N 3.14Å; G207-S211 PolarHBondContact O-OG 3.01Å; M208-S211 PolarHBondContact O-N 3.17Å; F209-S211 VanDerWaalsContact C-N 3.3Å; F209-S211 PolarHBondContact O-N 2.81Å; S211-K214 WeakPolarHBondContact O-CB 3.26Å; S211-K214 PolarHBondContact O-N 3.43Å; S211-S215 PolarHBondContact O-N 2.99Å; S211-S215 PolarHBondContact O-OG 3.28Å |
| 212 | S | 87.8 | Confident | 83.2 | Confident | 40 Ų | 40 | 42 Ų | 42 | 28% | 0.28 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.5 | -43.5 | 175.3 | -60.9 | 0 | 0 | 0 | 0 | 111.9 | M208 F209 K214 S215 F216 | M208-S212 PolarHBondContact O-N 3.11Å; M208-S212 PolarHBondContact O-OG 2.9Å; M208-S212 VanDerWaalsContact O-OG 3.11Å; F209-S212 PolarHBondContact O-N 3.39Å; S212-K214 VanDerWaalsContact C-N 3.29Å; S212-K214 PolarHBondContact O-N 3.47Å; S212-S215 PolarHBondContact O-N 3.26Å; S212-S215 PolarHBondContact O-OG 3.24Å; S212-S215 VanDerWaalsContact O-OG 3.13Å; S212-F216 WeakPolarHBondContact O-CB 3.18Å; S212-F216 WeakPolarHBondContact O-CD2 3.31Å; S212-F216 PolarHBondContact O-N 3.17Å |
| 213 | F | 87.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 175.6 | -177.7 | -91 | 0 | 0 | 0 | 111.1 | F209 I210 V217 H218 I230 L231 L234 Y251 | F209-F213 WeakPolarHBondContact O-CB 3.3Å; F209-F213 PolarHBondContact O-N 3.15Å; I210-F213 HydrophobicContact CD1-CD1 4.4Å; F213-V217 HydrophobicContact CD2-CB 3.89Å; F213-V217 HydrophobicContact CD2-CG1 4.31Å; F213-V217 HydrophobicContact CD2-CG2 3.82Å; F213-V217 HydrophobicContact CE1-CB 4.36Å; F213-V217 HydrophobicContact CE1-CG1 4.42Å; F213-V217 HydrophobicContact CE2-CB 3.68Å; F213-V217 HydrophobicContact CE2-CG1 3.59Å; F213-V217 HydrophobicContact CE2-CG2 3.89Å; F213-V217 HydrophobicContact CG-CB 4.32Å; F213-V217 HydrophobicContact CZ-CB 3.92Å; F213-V217 HydrophobicContact CZ-CG1 3.64Å; F213-V217 WeakPolarHBondContact O-CA 3.41Å; F213-V217 VanDerWaalsContact O-CB 3.26Å; F213-V217 WeakPolarHBondContact O-CB 3.45Å; F213-V217 PolarHBondContact O-N 3.13Å; F213-H218 PolarHBondContact O-N 2.77Å; F213-I230 HydrophobicContact CE2-CG2 4.27Å; F213-L231 HydrophobicContact CD2-CD1 3.95Å; F213-L231 HydrophobicContact CE1-CD1 4.28Å; F213-L231 HydrophobicContact CE2-CB 3.71Å; F213-L231 HydrophobicContact CE2-CD1 3.66Å; F213-L231 HydrophobicContact CE2-CG 4.25Å; F213-L231 HydrophobicContact CG-CD1 4.38Å; F213-L231 HydrophobicContact CZ-CB 3.73Å; F213-L231 HydrophobicContact CZ-CD1 3.85Å; F213-L231 HydrophobicContact CZ-CD2 4.5Å; F213-L231 HydrophobicContact CZ-CG 4.22Å; F213-L234 HydrophobicContact CD2-CD1 3.91Å; F213-L234 HydrophobicContact CE2-CD1 4.29Å; F213-Y251 AromaticContact CE1-CE1 3.67Å; F213-Y251 HydrophobicContact CE1-CE1 3.67Å; F213-Y251 AromaticContact CE1-CZ 3.69Å; F213-Y251 WeakPolarHBondContact CE1-OH 3.44Å; F213-Y251 HydrophobicContact CZ-CE1 4.07Å |
| 214 | K | 88.1 | Confident | 83.7 | Confident | 71 Ų | 71 | 42.8 Ų | 42.8 | 31% | 0.309 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -59.2 | -55.8 | 175.8 | -169.4 | -161 | 178.3 | -141.4 | 0 | 111.3 | W168 I210 S211 S212 F216 H218 D219 | W168-K214 HydrophobicContact CB-CD 4.37Å; W168-K214 HydrophobicContact CD2-CB 4.45Å; W168-K214 HydrophobicContact CD2-CD 3.77Å; W168-K214 HydrophobicContact CD2-CG 3.79Å; W168-K214 HydrophobicContact CE3-CD 4.47Å; W168-K214 HydrophobicContact CE3-CG 4.18Å; W168-K214 HydrophobicContact CG-CD 3.69Å; W168-K214 HydrophobicContact CG-CG 4.27Å; W168-K214 HydrophobicContact CH2-CB 4.35Å; W168-K214 HydrophobicContact CH2-CG 4.21Å; W168-K214 HydrophobicContact CZ2-CB 3.68Å; W168-K214 HydrophobicContact CZ2-CG 3.82Å; W168-K214 HydrophobicContact CZ3-CG 4.38Å; I210-K214 VanDerWaalsContact O-CB 3.3Å; I210-K214 WeakPolarHBondContact O-CB 3.28Å; I210-K214 PolarHBondContact O-N 3.09Å; S211-K214 WeakPolarHBondContact O-CB 3.26Å; S211-K214 PolarHBondContact O-N 3.43Å; S212-K214 VanDerWaalsContact C-N 3.29Å; S212-K214 PolarHBondContact O-N 3.47Å; K214-F216 PolarHBondContact O-N 3.38Å; K214-H218 HydrophobicContact CG-CB 4.35Å; K214-H218 WeakPolarHBondContact O-CB 3.22Å; K214-H218 PolarHBondContact O-N 3.27Å; K214-D219 WeakPolarHBondContact O-CB 3.09Å; K214-D219 VanDerWaalsContact O-CG 3.3Å; K214-D219 PolarHBondContact O-N 3.2Å |
| 215 | S | 85.9 | Confident | 83.6 | Confident | 52 Ų | 52 | 46 Ų | 46 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -66.8 | -33.2 | -173.4 | 60.8 | 0 | 0 | 0 | 0 | 113.9 | S211 S212 V220 | S211-S215 PolarHBondContact O-N 2.99Å; S211-S215 PolarHBondContact O-OG 3.28Å; S212-S215 PolarHBondContact O-N 3.26Å; S212-S215 PolarHBondContact O-OG 3.24Å; S212-S215 VanDerWaalsContact O-OG 3.13Å; S215-V220 WeakPolarHBondContact O-CG2 3.45Å |
| 216 | F | 86.1 | Confident | 83.4 | Confident | 79 Ų | 79 | 44 Ų | 44 | 35% | 0.346 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -104.7 | -23.3 | -172.5 | -62.1 | -56.6 | 0 | 0 | 0 | 114.2 | V194 I196 S212 K214 | V194-F216 HydrophobicContact CG1-CB 4.12Å; V194-F216 HydrophobicContact CG1-CD1 3.37Å; V194-F216 HydrophobicContact CG1-CD2 3.6Å; V194-F216 HydrophobicContact CG1-CE1 3.52Å; V194-F216 HydrophobicContact CG1-CE2 3.77Å; V194-F216 HydrophobicContact CG1-CG 3.42Å; V194-F216 VanDerWaalsContact CG1-CG 3.42Å; V194-F216 HydrophobicContact CG1-CZ 3.73Å; V194-F216 HydrophobicContact CG2-CE1 4.17Å; I196-F216 HydrophobicContact CD1-CB 3.76Å; I196-F216 HydrophobicContact CD1-CD2 4.31Å; I196-F216 HydrophobicContact CD1-CG 4.49Å; I196-F216 HydrophobicContact CG1-CB 4.37Å; I196-F216 HydrophobicContact CG1-CD2 4.09Å; S212-F216 WeakPolarHBondContact O-CB 3.18Å; S212-F216 WeakPolarHBondContact O-CD2 3.31Å; S212-F216 PolarHBondContact O-N 3.17Å; K214-F216 PolarHBondContact O-N 3.38Å |
| 217 | V | 85.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -117.1 | -56 | -177.4 | -173.8 | 0 | 0 | 0 | 0 | 110.6 | I196 F213 V221 R227 I230 | I196-V217 HydrophobicContact CD1-CG2 3.58Å; F213-V217 HydrophobicContact CD2-CB 3.89Å; F213-V217 HydrophobicContact CD2-CG1 4.31Å; F213-V217 HydrophobicContact CD2-CG2 3.82Å; F213-V217 HydrophobicContact CE1-CB 4.36Å; F213-V217 HydrophobicContact CE1-CG1 4.42Å; F213-V217 HydrophobicContact CE2-CB 3.68Å; F213-V217 HydrophobicContact CE2-CG1 3.59Å; F213-V217 HydrophobicContact CE2-CG2 3.89Å; F213-V217 HydrophobicContact CG-CB 4.32Å; F213-V217 HydrophobicContact CZ-CB 3.92Å; F213-V217 HydrophobicContact CZ-CG1 3.64Å; F213-V217 WeakPolarHBondContact O-CA 3.41Å; F213-V217 VanDerWaalsContact O-CB 3.26Å; F213-V217 WeakPolarHBondContact O-CB 3.45Å; F213-V217 PolarHBondContact O-N 3.13Å; V217-V221 HydrophobicContact CG1-CG2 4.1Å; V217-V221 WeakPolarHBondContact O-CB 3.36Å; V217-V221 WeakPolarHBondContact O-CG2 3.39Å; V217-V221 PolarHBondContact O-N 3.07Å; V217-R227 HydrophobicContact CG1-CB 4.45Å; V217-R227 HydrophobicContact CG1-CG 4.34Å; V217-I230 HydrophobicContact CB-CG2 4.43Å; V217-I230 HydrophobicContact CG1-CB 4.04Å; V217-I230 HydrophobicContact CG1-CD1 3.87Å; V217-I230 HydrophobicContact CG1-CG2 3.78Å; V217-I230 HydrophobicContact CG2-CG2 3.75Å |
| 218 | H | 84.9 | Confident | 83 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 6% | 0.06 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -64 | -49.6 | -174.8 | -175.5 | 53.5 | 0 | 0 | 0 | 112.2 | W168 M172 F213 K214 V220 R227 Y251 | W168-H218 AromaticContact CE3-CD2 3.65Å; W168-H218 AromaticContact CE3-NE2 3.9Å; W168-H218 HydrophobicContact CH2-CB 3.88Å; W168-H218 AromaticContact CH2-CD2 3.83Å; W168-H218 AromaticContact CH2-CG 3.67Å; W168-H218 HydrophobicContact CZ3-CB 4.1Å; W168-H218 AromaticContact CZ3-CD2 3.13Å; W168-H218 WeakPolarHBondContact CZ3-CD2 3.29Å; W168-H218 AromaticContact CZ3-CE1 3.89Å; W168-H218 AromaticContact CZ3-CG 3.39Å; W168-H218 AromaticContact CZ3-ND1 3.86Å; W168-H218 AromaticContact CZ3-NE2 3.45Å; W168-H218 WeakPolarHBondContact CZ3-NE2 3.44Å; M172-H218 WeakPolarHBondContact CE-CE1 3.34Å; F213-H218 PolarHBondContact O-N 2.77Å; K214-H218 HydrophobicContact CG-CB 4.35Å; K214-H218 WeakPolarHBondContact O-CB 3.22Å; K214-H218 PolarHBondContact O-N 3.27Å; H218-V220 VanDerWaalsContact C-N 3.31Å; H218-V220 PolarHBondContact O-N 3.21Å; H218-R227 PolarHBondContact O-NE 3.15Å; H218-R227 PolarHBondContact O-NH2 3.43Å; H218-Y251 PolarHBondContact ND1-OH 3.09Å |
| 219 | D | 84.9 | Confident | 82.5 | Confident | 77 Ų | 77 | 38.6 Ų | 38.6 | 41% | 0.412 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -24.8 | -174.4 | -64.7 | -16.5 | 0 | 0 | 0 | 112 | K214 | K214-D219 WeakPolarHBondContact O-CB 3.09Å; K214-D219 VanDerWaalsContact O-CG 3.3Å; K214-D219 PolarHBondContact O-N 3.2Å |
| 220 | V | 83 | Confident | 82.1 | Confident | 52 Ų | 52 | 39 Ų | 39 | 32% | 0.315 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -41.5 | -172.3 | -171.5 | 0 | 0 | 0 | 0 | 113.9 | W186 S215 H218 G222 | W186-V220 HydrophobicContact CH2-CB 3.85Å; W186-V220 HydrophobicContact CH2-CG1 3.32Å; W186-V220 HydrophobicContact CH2-CG2 4.3Å; W186-V220 HydrophobicContact CZ2-CB 4.33Å; W186-V220 HydrophobicContact CZ2-CG1 3.31Å; W186-V220 HydrophobicContact CZ3-CG1 4.22Å; S215-V220 WeakPolarHBondContact O-CG2 3.45Å; H218-V220 VanDerWaalsContact C-N 3.31Å; H218-V220 PolarHBondContact O-N 3.21Å; V220-G222 PolarHBondContact O-N 3.44Å |
| 221 | V | 80.1 | Confident | 82 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | trans | -81.5 | 120.9 | -176.5 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | W186 V217 Q226 R227 I230 | W186-V221 HydrophobicContact CZ3-CG2 4.44Å; V217-V221 HydrophobicContact CG1-CG2 4.1Å; V217-V221 WeakPolarHBondContact O-CB 3.36Å; V217-V221 WeakPolarHBondContact O-CG2 3.39Å; V217-V221 PolarHBondContact O-N 3.07Å; V221-Q226 HydrophobicContact CG1-CB 3.46Å; V221-Q226 VanDerWaalsContact CG1-CB 3.46Å; V221-Q226 HydrophobicContact CG1-CG 4.49Å; V221-R227 HydrophobicContact CB-CG 3.89Å; V221-R227 HydrophobicContact CG1-CG 3.95Å; V221-R227 PolarHBondContact O-NE 3.03Å; V221-R227 PolarHBondContact O-NH2 2.91Å; V221-I230 HydrophobicContact CG2-CD1 3.93Å | ||
| 222 | G | 74.4 | Confident | 81.5 | Confident | 13 Ų | 13 | 43.5 Ų | 43.5 | 13% | 0.134 | 23% | 0.233 | C | C | . | . | trans | -74.8 | -29.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T178 V220 | T178-G222 WeakPolarHBondContact O-CA 3.41Å; V220-G222 PolarHBondContact O-N 3.44Å | ||
| 223 | S | 79.6 | Confident | 81.1 | Confident | 43 Ų | 43 | 48.7 Ų | 48.7 | 30% | 0.301 | 25% | 0.253 | S | S | . | . | trans | -90.7 | 127.7 | -176.4 | 171.7 | 0 | 0 | 0 | 0 | 112.6 | D225 Q226 R227 | S223-D225 VanDerWaalsContact C-N 3.26Å; S223-D225 PolarHBondContact O-N 3.36Å; S223-D225 PolarHBondContact OG-N 3.38Å; S223-Q226 PolarHBondContact O-N 3.32Å; S223-Q226 PolarHBondContact OG-N 3.41Å; S223-R227 WeakPolarHBondContact O-CG 3.26Å; S223-R227 PolarHBondContact O-N 3.05Å | ||
| 224 | N | 78.2 | Confident | 80.9 | Confident | 52 Ų | 52 | 49.9 Ų | 49.9 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.7 | -33.6 | 173.6 | -74.8 | -7.6 | 0 | 0 | 0 | 112.5 | R227 L228 L255 | N224-R227 PolarHBondContact O-N 2.85Å; N224-R227 PolarHBondContact OD1-NH1 2.69Å; N224-L228 WeakPolarHBondContact O-CB 3.25Å; N224-L228 PolarHBondContact O-N 3.47Å; N224-L255 HydrophobicContact CB-CB 4.32Å; N224-L255 HydrophobicContact CB-CD2 3.99Å; N224-L255 PolarHBondContact ND2-O 3.21Å; N224-L255 VanDerWaalsContact OD1-CD2 3.32Å; N224-L255 WeakPolarHBondContact OD1-CD2 3.43Å |
| 225 | D | 73.7 | Confident | 80.5 | Confident | 120 Ų | 120 | 47 Ų | 47 | 64% | 0.642 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -66.9 | -39.8 | 177.4 | -64.6 | -41.4 | 0 | 0 | 0 | 111.7 | S223 L228 A229 | S223-D225 VanDerWaalsContact C-N 3.26Å; S223-D225 PolarHBondContact O-N 3.36Å; S223-D225 PolarHBondContact OG-N 3.38Å; D225-L228 PolarHBondContact O-N 3.41Å; D225-A229 WeakPolarHBondContact O-CB 3.21Å; D225-A229 PolarHBondContact O-N 2.77Å |
| 226 | Q | 77.7 | Confident | 79.8 | Confident | 56 Ų | 56 | 47.3 Ų | 47.3 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.8 | -47.9 | 174.6 | -69.3 | 179.8 | -29.2 | 0 | 0 | 110.8 | T182 V221 S223 L228 A229 I230 | T182-Q226 PolarHBondContact O-NE2 3.17Å; V221-Q226 HydrophobicContact CG1-CB 3.46Å; V221-Q226 VanDerWaalsContact CG1-CB 3.46Å; V221-Q226 HydrophobicContact CG1-CG 4.49Å; S223-Q226 PolarHBondContact O-N 3.32Å; S223-Q226 PolarHBondContact OG-N 3.41Å; Q226-L228 PolarHBondContact O-N 3.01Å; Q226-A229 PolarHBondContact O-N 2.94Å; Q226-A229 VanDerWaalsContact O-N 3.14Å; Q226-I230 WeakPolarHBondContact O-CB 3.35Å; Q226-I230 WeakPolarHBondContact O-CD1 3.35Å; Q226-I230 WeakPolarHBondContact O-CG1 3.23Å; Q226-I230 PolarHBondContact O-N 3.39Å |
| 227 | R | 82.9 | Confident | 78.6 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -52.4 | -43.2 | 174.2 | -70 | 170.9 | 177.8 | 160.1 | 2.6 | 111.1 | S176 V217 H218 V221 S223 N224 L231 L255 | S176-R227 PolarHBondContact O-NH2 2.86Å; V217-R227 HydrophobicContact CG1-CB 4.45Å; V217-R227 HydrophobicContact CG1-CG 4.34Å; H218-R227 PolarHBondContact O-NE 3.15Å; H218-R227 PolarHBondContact O-NH2 3.43Å; V221-R227 HydrophobicContact CB-CG 3.89Å; V221-R227 HydrophobicContact CG1-CG 3.95Å; V221-R227 PolarHBondContact O-NE 3.03Å; V221-R227 PolarHBondContact O-NH2 2.91Å; S223-R227 WeakPolarHBondContact O-CG 3.26Å; S223-R227 PolarHBondContact O-N 3.05Å; N224-R227 PolarHBondContact O-N 2.85Å; N224-R227 PolarHBondContact OD1-NH1 2.69Å; R227-L231 VanDerWaalsContact O-CB 3.28Å; R227-L231 WeakPolarHBondContact O-CB 3.4Å; R227-L231 PolarHBondContact O-N 3.48Å; R227-L255 HydrophobicContact CB-CD1 4.04Å |
| 228 | L | 76.2 | Confident | 77.4 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.1 | -44.4 | 178.8 | 175.7 | 61.3 | 0 | 0 | 0 | 112.9 | N224 D225 Q226 L231 R232 L252 L255 | N224-L228 WeakPolarHBondContact O-CB 3.25Å; N224-L228 PolarHBondContact O-N 3.47Å; D225-L228 PolarHBondContact O-N 3.41Å; Q226-L228 PolarHBondContact O-N 3.01Å; L228-L231 PolarHBondContact O-N 2.86Å; L228-R232 WeakPolarHBondContact O-CG 3.29Å; L228-R232 PolarHBondContact O-N 2.82Å; L228-L252 HydrophobicContact CD1-CD2 3Å; L228-L252 HydrophobicContact CD1-CG 4.47Å; L228-L255 HydrophobicContact CB-CD1 4.23Å |
| 229 | A | 74.3 | Confident | 76.3 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 37% | 0.372 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D225 Q226 R232 Q233 | D225-A229 WeakPolarHBondContact O-CB 3.21Å; D225-A229 PolarHBondContact O-N 2.77Å; Q226-A229 PolarHBondContact O-N 2.94Å; Q226-A229 VanDerWaalsContact O-N 3.14Å; A229-R232 PolarHBondContact O-N 3.43Å; A229-Q233 WeakPolarHBondContact O-CG 3.37Å; A229-Q233 PolarHBondContact O-N 3.43Å |
| 230 | I | 81.3 | Confident | 75.1 | Confident | 20 Ų | 20 | 61.8 Ų | 61.8 | 10% | 0.103 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 176.8 | -64.5 | 167.7 | 0 | 0 | 0 | 110.3 | L187 F213 V217 V221 Q226 R232 Q233 L234 | L187-I230 HydrophobicContact CD1-CB 4.05Å; L187-I230 HydrophobicContact CD1-CD1 3.57Å; L187-I230 HydrophobicContact CD1-CG1 3.42Å; L187-I230 VanDerWaalsContact CD1-CG1 3.42Å; L187-I230 HydrophobicContact CD1-CG2 3.52Å; L187-I230 HydrophobicContact CG-CD1 4.08Å; L187-I230 HydrophobicContact CG-CG1 4.43Å; F213-I230 HydrophobicContact CE2-CG2 4.27Å; V217-I230 HydrophobicContact CB-CG2 4.43Å; V217-I230 HydrophobicContact CG1-CB 4.04Å; V217-I230 HydrophobicContact CG1-CD1 3.87Å; V217-I230 HydrophobicContact CG1-CG2 3.78Å; V217-I230 HydrophobicContact CG2-CG2 3.75Å; V221-I230 HydrophobicContact CG2-CD1 3.93Å; Q226-I230 WeakPolarHBondContact O-CB 3.35Å; Q226-I230 WeakPolarHBondContact O-CD1 3.35Å; Q226-I230 WeakPolarHBondContact O-CG1 3.23Å; Q226-I230 PolarHBondContact O-N 3.39Å; I230-R232 VanDerWaalsContact C-N 3.29Å; I230-R232 PolarHBondContact O-N 3.42Å; I230-Q233 WeakPolarHBondContact O-CB 3.39Å; I230-Q233 PolarHBondContact O-N 2.84Å; I230-L234 HydrophobicContact CG2-CD1 3.73Å; I230-L234 HydrophobicContact CG2-CG 4.32Å; I230-L234 WeakPolarHBondContact O-CG 3.44Å; I230-L234 PolarHBondContact O-N 3.09Å |
| 231 | L | 83.7 | Confident | 73.9 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.8 | -45 | 177.9 | -176.4 | 63.1 | 0 | 0 | 0 | 111 | F209 F213 R227 L228 Q233 L234 L235 I248 Y251 L252 | F209-L231 HydrophobicContact CE1-CD1 4.34Å; F209-L231 HydrophobicContact CZ-CD1 4.09Å; F213-L231 HydrophobicContact CD2-CD1 3.95Å; F213-L231 HydrophobicContact CE1-CD1 4.28Å; F213-L231 HydrophobicContact CE2-CB 3.71Å; F213-L231 HydrophobicContact CE2-CD1 3.66Å; F213-L231 HydrophobicContact CE2-CG 4.25Å; F213-L231 HydrophobicContact CG-CD1 4.38Å; F213-L231 HydrophobicContact CZ-CB 3.73Å; F213-L231 HydrophobicContact CZ-CD1 3.85Å; F213-L231 HydrophobicContact CZ-CD2 4.5Å; F213-L231 HydrophobicContact CZ-CG 4.22Å; R227-L231 VanDerWaalsContact O-CB 3.28Å; R227-L231 WeakPolarHBondContact O-CB 3.4Å; R227-L231 PolarHBondContact O-N 3.48Å; L228-L231 PolarHBondContact O-N 2.86Å; L231-Q233 VanDerWaalsContact C-N 3.26Å; L231-Q233 PolarHBondContact O-N 3.15Å; L231-L234 PolarHBondContact O-N 3.27Å; L231-L234 VanDerWaalsContact O-N 3.13Å; L231-L235 HydrophobicContact CD1-CD1 3.66Å; L231-L235 HydrophobicContact CD1-CD2 4.23Å; L231-L235 HydrophobicContact CD1-CG 3.89Å; L231-L235 HydrophobicContact CD2-CD1 4.21Å; L231-L235 HydrophobicContact CG-CD1 3.54Å; L231-L235 HydrophobicContact CG-CG 4.16Å; L231-L235 WeakPolarHBondContact O-CB 3.34Å; L231-L235 WeakPolarHBondContact O-CG 3.48Å; L231-L235 PolarHBondContact O-N 3.06Å; L231-L235 VanDerWaalsContact O-N 3.11Å; L231-I248 HydrophobicContact CD2-CG2 4.39Å; L231-Y251 HydrophobicContact CD2-CD1 3.48Å; L231-Y251 VanDerWaalsContact CD2-CD1 3.48Å; L231-Y251 HydrophobicContact CD2-CE1 3.72Å; L231-L252 HydrophobicContact CD2-CD2 4.2Å |
| 232 | R | 75.2 | Confident | 72.9 | Confident | 151 Ų | 151 | 66.9 Ų | 66.9 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.9 | -32.2 | 177.5 | -74.2 | 174.1 | 179.4 | 141.6 | -1.6 | 113.6 | L228 A229 I230 | L228-R232 WeakPolarHBondContact O-CG 3.29Å; L228-R232 PolarHBondContact O-N 2.82Å; A229-R232 PolarHBondContact O-N 3.43Å; I230-R232 VanDerWaalsContact C-N 3.29Å; I230-R232 PolarHBondContact O-N 3.42Å |
| 233 | Q | 79.1 | Confident | 72 | Confident | 149 Ų | 149 | 68 Ų | 68 | 70% | 0.696 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -74.8 | -34 | 176.4 | -69.1 | 175.1 | -5.4 | 0 | 0 | 112.2 | A229 I230 L231 L235 | A229-Q233 WeakPolarHBondContact O-CG 3.37Å; A229-Q233 PolarHBondContact O-N 3.43Å; I230-Q233 WeakPolarHBondContact O-CB 3.39Å; I230-Q233 PolarHBondContact O-N 2.84Å; L231-Q233 VanDerWaalsContact C-N 3.26Å; L231-Q233 PolarHBondContact O-N 3.15Å; Q233-L235 VanDerWaalsContact C-N 3.3Å |
| 234 | L | 84.1 | Confident | 71.2 | Confident | 25 Ų | 25 | 66.1 Ų | 66.1 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -83 | -6.3 | -179.2 | -66.2 | 175 | 0 | 0 | 0 | 113.5 | I196 P198 F199 F209 F213 I230 L231 | I196-L234 HydrophobicContact CB-CD1 4.22Å; I196-L234 HydrophobicContact CB-CD2 4.2Å; I196-L234 HydrophobicContact CD1-CD1 4.09Å; I196-L234 HydrophobicContact CG2-CD1 3.96Å; I196-L234 HydrophobicContact CG2-CD2 4.32Å; P198-L234 CarbonylContact C-O 3.57Å; P198-L234 VanDerWaalsContact CA-O 3.27Å; P198-L234 WeakPolarHBondContact CA-O 3.47Å; F199-L234 PolarHBondContact N-O 3.25Å; F209-L234 HydrophobicContact CE2-CB 3.98Å; F209-L234 HydrophobicContact CZ-CB 4.21Å; F213-L234 HydrophobicContact CD2-CD1 3.91Å; F213-L234 HydrophobicContact CE2-CD1 4.29Å; I230-L234 HydrophobicContact CG2-CD1 3.73Å; I230-L234 HydrophobicContact CG2-CG 4.32Å; I230-L234 WeakPolarHBondContact O-CG 3.44Å; I230-L234 PolarHBondContact O-N 3.09Å; L231-L234 PolarHBondContact O-N 3.27Å; L231-L234 VanDerWaalsContact O-N 3.13Å |
| 235 | L | 80.2 | Confident | 70.6 | Confident | 12 Ų | 12 | 64.5 Ų | 64.5 | 6% | 0.063 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -112.5 | 124.2 | -179.5 | -63.4 | 174.6 | 0 | 0 | 0 | 110.6 | F199 F209 L231 Q233 M237 L240 I248 | F199-L235 HydrophobicContact CB-CD2 3.78Å; F199-L235 HydrophobicContact CD1-CD2 4.08Å; F199-L235 HydrophobicContact CG-CD2 4.35Å; F209-L235 HydrophobicContact CE1-CD2 3.65Å; F209-L235 HydrophobicContact CE2-CD2 4.48Å; F209-L235 HydrophobicContact CZ-CD2 3.53Å; F209-L235 HydrophobicContact CZ-CG 4.37Å; L231-L235 HydrophobicContact CD1-CD1 3.66Å; L231-L235 HydrophobicContact CD1-CD2 4.23Å; L231-L235 HydrophobicContact CD1-CG 3.89Å; L231-L235 HydrophobicContact CD2-CD1 4.21Å; L231-L235 HydrophobicContact CG-CD1 3.54Å; L231-L235 HydrophobicContact CG-CG 4.16Å; L231-L235 WeakPolarHBondContact O-CB 3.34Å; L231-L235 WeakPolarHBondContact O-CG 3.48Å; L231-L235 PolarHBondContact O-N 3.06Å; L231-L235 VanDerWaalsContact O-N 3.11Å; Q233-L235 VanDerWaalsContact C-N 3.3Å; L235-M237 VanDerWaalsContact C-N 3.31Å; L235-M237 HydrophobicContact CB-SD 3.99Å; L235-M237 HydrophobicContact CD1-SD 3.94Å; L235-M237 PolarHBondContact O-N 3.35Å; L235-L240 HydrophobicContact CB-CD1 4.41Å; L235-L240 HydrophobicContact CD1-CD1 4.17Å; L235-L240 HydrophobicContact CD2-CD2 4.24Å; L235-I248 HydrophobicContact CD1-CD1 3.58Å; L235-I248 HydrophobicContact CD1-CG1 4.07Å; L235-I248 HydrophobicContact CD1-CG2 3.84Å; L235-I248 HydrophobicContact CD2-CD1 3.62Å; L235-I248 HydrophobicContact CG-CD1 4.21Å |
| 236 | D | 70.8 | Confident | 70.1 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 31% | 0.31 | 27% | 0.273 | S | S | . | . | trans | -77.3 | 90.7 | 158.2 | -171.5 | -12.1 | 0 | 0 | 0 | 108.3 | F199 R238 R239 L240 | F199-D236 PolarHBondContact O-N 3.23Å; D236-R238 PolarHBondContact O-N 3.17Å; D236-R238 WeakPolarHBondContact OD1-CB 3.44Å; D236-R238 PolarHBondContact OD1-N 3.41Å; D236-R238 VanDerWaalsContact OD1-N 3.12Å; D236-R239 HydrophobicContact CB-CB 4.29Å; D236-R239 HydrophobicContact CB-CG 4.21Å; D236-R239 WeakPolarHBondContact O-CA 3.25Å; D236-R239 PolarHBondContact O-N 3.23Å; D236-R239 WeakPolarHBondContact OD2-CD 3.44Å; D236-R239 WeakPolarHBondContact OD2-CG 3.33Å; D236-R239 IonicContact OD2-CZ 2.84Å; D236-R239 IonicContact OD2-NE 3.04Å; D236-R239 PolarHBondContact OD2-NE 3.27Å; D236-L240 PolarHBondContact O-N 3.4Å | ||
| 237 | M | 61.4 | Low | 69.6 | Low | 101 Ų | 101 | 58.1 Ų | 58.1 | 50% | 0.498 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -54.6 | -24.6 | -178.8 | -64.2 | -64.3 | -63.3 | 0 | 0 | 112.9 | L235 R239 L240 | L235-M237 VanDerWaalsContact C-N 3.31Å; L235-M237 HydrophobicContact CB-SD 3.99Å; L235-M237 HydrophobicContact CD1-SD 3.94Å; L235-M237 PolarHBondContact O-N 3.35Å; M237-R239 PolarHBondContact O-N 3.35Å; M237-L240 HydrophobicContact CE-CD1 3.8Å; M237-L240 HydrophobicContact SD-CD1 3.36Å; M237-L240 WeakPolarHBondContact SD-CD1 3.49Å |
| 238 | R | 59.7 | Low | 69.1 | Low | 219 Ų | 219 | 58 Ų | 58 | 83% | 0.826 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -74.9 | -17 | 177.6 | -55.9 | -178.1 | -169.9 | 178 | 4.6 | 112.8 | D236 Y241 | D236-R238 PolarHBondContact O-N 3.17Å; D236-R238 WeakPolarHBondContact OD1-CB 3.44Å; D236-R238 PolarHBondContact OD1-N 3.41Å; D236-R238 VanDerWaalsContact OD1-N 3.12Å; R238-Y241 PolarHBondContact O-OH 2.95Å; R238-Y241 VanDerWaalsContact O-OH 3.14Å |
| 239 | R | 62.7 | Low | 68.6 | Low | 137 Ų | 137 | 58.4 Ų | 58.4 | 52% | 0.517 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -108.9 | 3 | -179.4 | -57.3 | -177.6 | -168.2 | -138.1 | -3.4 | 112.8 | D200 G201 D236 M237 Y241 | D200-R239 VanDerWaalsContact O-CB 3.32Å; D200-R239 WeakPolarHBondContact O-CB 3.37Å; D200-R239 WeakPolarHBondContact O-CD 3.14Å; G201-R239 WeakPolarHBondContact CA-O 3.44Å; D236-R239 HydrophobicContact CB-CB 4.29Å; D236-R239 HydrophobicContact CB-CG 4.21Å; D236-R239 WeakPolarHBondContact O-CA 3.25Å; D236-R239 PolarHBondContact O-N 3.23Å; D236-R239 WeakPolarHBondContact OD2-CD 3.44Å; D236-R239 WeakPolarHBondContact OD2-CG 3.33Å; D236-R239 IonicContact OD2-CZ 2.84Å; D236-R239 IonicContact OD2-NE 3.04Å; D236-R239 PolarHBondContact OD2-NE 3.27Å; M237-R239 PolarHBondContact O-N 3.35Å; R239-Y241 HydrophobicContact CB-CE2 4.41Å; R239-Y241 WeakPolarHBondContact O-CD2 3.46Å; R239-Y241 WeakPolarHBondContact O-CE2 3.36Å; R239-Y241 PolarHBondContact O-N 3.03Å |
| 240 | L | 59.6 | Low | 68.3 | Low | 15 Ų | 15 | 57.5 Ų | 57.5 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | trans | -72.9 | 100.3 | 173.6 | -69.7 | -178.8 | 0 | 0 | 0 | 110.1 | F199 L235 D236 M237 I248 | F199-L240 HydrophobicContact CD1-CD2 3.58Å; F199-L240 HydrophobicContact CE1-CD2 3.73Å; L235-L240 HydrophobicContact CB-CD1 4.41Å; L235-L240 HydrophobicContact CD1-CD1 4.17Å; L235-L240 HydrophobicContact CD2-CD2 4.24Å; D236-L240 PolarHBondContact O-N 3.4Å; M237-L240 HydrophobicContact CE-CD1 3.8Å; M237-L240 HydrophobicContact SD-CD1 3.36Å; M237-L240 WeakPolarHBondContact SD-CD1 3.49Å; L240-I248 HydrophobicContact CD1-CD1 3.66Å; L240-I248 HydrophobicContact CD2-CD1 3.5Å; L240-I248 VanDerWaalsContact CD2-CD1 3.5Å; L240-I248 HydrophobicContact CG-CD1 4.23Å | ||
| 241 | Y | 56.3 | Low | 68 | Low | 156 Ų | 156 | 56.7 Ų | 56.7 | 61% | 0.612 | 26% | 0.261 | S | S | * | . | trans | -115.5 | 154.9 | 170.2 | -54.8 | -76.3 | 0 | 0 | 0 | 108.9 | R238 R239 S244 | R238-Y241 PolarHBondContact O-OH 2.95Å; R238-Y241 VanDerWaalsContact O-OH 3.14Å; R239-Y241 HydrophobicContact CB-CE2 4.41Å; R239-Y241 WeakPolarHBondContact O-CD2 3.46Å; R239-Y241 WeakPolarHBondContact O-CE2 3.36Å; R239-Y241 PolarHBondContact O-N 3.03Å; Y241-S244 PolarHBondContact O-OG 3.49Å | ||
| 242 | G | 59 | Low | 67.3 | Low | 7 Ų | 7 | 58.5 Ų | 58.5 | 7% | 0.072 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -162.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114 | S244 S245 A246 A271 | G242-S244 PolarHBondContact O-N 3.03Å; G242-S245 VanDerWaalsContact O-CB 3.29Å; G242-S245 WeakPolarHBondContact O-CB 3.41Å; G242-S245 PolarHBondContact O-N 2.8Å; G242-A246 PolarHBondContact O-N 3.13Å; G242-A271 VanDerWaalsContact CA-CA 3.49Å |
| 243 | N | 55.7 | Low | 67 | Low | 36 Ų | 36 | 57.8 Ų | 57.8 | 19% | 0.193 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -22.5 | -178.2 | -69.9 | 33.1 | 0 | 0 | 0 | 113 | S245 A246 V247 I275 R314 | N243-S245 PolarHBondContact O-N 3.1Å; N243-A246 PolarHBondContact O-N 3Å; N243-A246 VanDerWaalsContact O-N 3.16Å; N243-V247 HydrophobicContact CB-CG2 4.4Å; N243-V247 WeakPolarHBondContact O-CB 3.47Å; N243-V247 WeakPolarHBondContact O-CG2 3.3Å; N243-V247 PolarHBondContact O-N 3Å; N243-I275 HydrophobicContact CB-CD1 4.15Å; N243-R314 PolarHBondContact ND2-NH1 2.91Å; N243-R314 PolarHBondContact OD1-NH1 2.63Å |
| 244 | S | 62.8 | Low | 66.6 | Low | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.1 | -41.8 | 172.8 | 53.7 | 0 | 0 | 0 | 0 | 109.5 | W206 Y241 G242 I248 | W206-S244 VanDerWaalsContact CE3-CB 3.46Å; Y241-S244 PolarHBondContact O-OG 3.49Å; G242-S244 PolarHBondContact O-N 3.03Å; S244-I248 WeakPolarHBondContact O-CB 3.34Å; S244-I248 WeakPolarHBondContact O-CD1 3.34Å; S244-I248 WeakPolarHBondContact O-CG1 3.44Å; S244-I248 PolarHBondContact O-N 3.45Å |
| 245 | S | 65.6 | Low | 65.9 | Low | 17 Ų | 17 | 52.8 Ų | 52.8 | 12% | 0.119 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 172.9 | -169 | 0 | 0 | 0 | 0 | 112.7 | G242 N243 A249 L267 | G242-S245 VanDerWaalsContact O-CB 3.29Å; G242-S245 WeakPolarHBondContact O-CB 3.41Å; G242-S245 PolarHBondContact O-N 2.8Å; N243-S245 PolarHBondContact O-N 3.1Å; S245-A249 VanDerWaalsContact O-CB 3.23Å; S245-A249 WeakPolarHBondContact O-CB 3.33Å; S245-A249 PolarHBondContact O-N 3.38Å; S245-L267 VanDerWaalsContact OG-CD2 3.28Å; S245-L267 WeakPolarHBondContact OG-CD2 3.5Å |
| 246 | A | 64.6 | Low | 64.9 | Low | 19 Ų | 19 | 54.1 Ų | 54.1 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | G242 N243 A249 A250 D268 | G242-A246 PolarHBondContact O-N 3.13Å; N243-A246 PolarHBondContact O-N 3Å; N243-A246 VanDerWaalsContact O-N 3.16Å; A246-A249 CarbonylContact O-C 3.5Å; A246-A249 WeakPolarHBondContact O-CB 3.34Å; A246-A249 PolarHBondContact O-N 3.24Å; A246-A250 WeakPolarHBondContact O-CB 3.35Å; A246-A250 PolarHBondContact O-N 3.15Å; A246-D268 WeakPolarHBondContact CB-OD1 3.36Å |
| 247 | V | 66.2 | Low | 64.1 | Low | 24 Ų | 24 | 57.1 Ų | 57.1 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72 | -40.9 | 179.6 | 175 | 0 | 0 | 0 | 0 | 110.3 | D166 I169 W206 N243 A249 A250 Y251 | D166-V247 HydrophobicContact CB-CG1 3.85Å; D166-V247 WeakPolarHBondContact OD2-CG2 3.43Å; I169-V247 HydrophobicContact CD1-CG1 3.32Å; W206-V247 HydrophobicContact CH2-CG1 4.34Å; W206-V247 HydrophobicContact CZ2-CB 3.92Å; W206-V247 HydrophobicContact CZ2-CG1 3.56Å; N243-V247 HydrophobicContact CB-CG2 4.4Å; N243-V247 WeakPolarHBondContact O-CB 3.47Å; N243-V247 WeakPolarHBondContact O-CG2 3.3Å; N243-V247 PolarHBondContact O-N 3Å; V247-A249 VanDerWaalsContact C-N 3.34Å; V247-A250 PolarHBondContact O-N 2.62Å; V247-Y251 WeakPolarHBondContact O-CB 3.48Å; V247-Y251 PolarHBondContact O-N 3.24Å |
| 248 | I | 72.2 | Confident | 63.5 | Low | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 169.1 | -71.3 | 160.2 | 0 | 0 | 0 | 108.8 | W206 L231 L235 L240 S244 A250 Y251 L252 | W206-I248 HydrophobicContact CH2-CD1 4.06Å; W206-I248 HydrophobicContact CH2-CG1 3.72Å; W206-I248 HydrophobicContact CZ3-CD1 3.85Å; W206-I248 HydrophobicContact CZ3-CG1 4.05Å; L231-I248 HydrophobicContact CD2-CG2 4.39Å; L235-I248 HydrophobicContact CD1-CD1 3.58Å; L235-I248 HydrophobicContact CD1-CG1 4.07Å; L235-I248 HydrophobicContact CD1-CG2 3.84Å; L235-I248 HydrophobicContact CD2-CD1 3.62Å; L235-I248 HydrophobicContact CG-CD1 4.21Å; L240-I248 HydrophobicContact CD1-CD1 3.66Å; L240-I248 HydrophobicContact CD2-CD1 3.5Å; L240-I248 VanDerWaalsContact CD2-CD1 3.5Å; L240-I248 HydrophobicContact CG-CD1 4.23Å; S244-I248 WeakPolarHBondContact O-CB 3.34Å; S244-I248 WeakPolarHBondContact O-CD1 3.34Å; S244-I248 WeakPolarHBondContact O-CG1 3.44Å; S244-I248 PolarHBondContact O-N 3.45Å; I248-A250 VanDerWaalsContact C-N 3.3Å; I248-A250 PolarHBondContact O-N 2.77Å; I248-Y251 CarbonylContact O-C 3.54Å; I248-Y251 WeakPolarHBondContact O-CB 3.45Å; I248-Y251 PolarHBondContact O-N 2.83Å; I248-Y251 VanDerWaalsContact O-N 3.14Å; I248-L252 HydrophobicContact CG2-CD1 3.73Å; I248-L252 HydrophobicContact CG2-CG 3.9Å; I248-L252 VanDerWaalsContact O-CB 3.28Å; I248-L252 WeakPolarHBondContact O-CB 3.24Å; I248-L252 WeakPolarHBondContact O-CG 3.45Å; I248-L252 PolarHBondContact O-N 2.78Å |
| 249 | A | 66.3 | Low | 62.8 | Low | 24 Ų | 24 | 56.1 Ų | 56.1 | 20% | 0.198 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.8 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S245 A246 V247 R253 V263 | S245-A249 VanDerWaalsContact O-CB 3.23Å; S245-A249 WeakPolarHBondContact O-CB 3.33Å; S245-A249 PolarHBondContact O-N 3.38Å; A246-A249 CarbonylContact O-C 3.5Å; A246-A249 WeakPolarHBondContact O-CB 3.34Å; A246-A249 PolarHBondContact O-N 3.24Å; V247-A249 VanDerWaalsContact C-N 3.34Å; A249-R253 VanDerWaalsContact O-CB 3.25Å; A249-R253 WeakPolarHBondContact O-CB 3.26Å; A249-R253 PolarHBondContact O-N 3.47Å; A249-V263 HydrophobicContact CB-CB 4.45Å; A249-V263 HydrophobicContact CB-CG1 4.02Å |
| 250 | A | 68.7 | Low | 62 | Low | 25 Ų | 25 | 53.3 Ų | 53.3 | 21% | 0.207 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | A246 V247 I248 R253 K254 | A246-A250 WeakPolarHBondContact O-CB 3.35Å; A246-A250 PolarHBondContact O-N 3.15Å; V247-A250 PolarHBondContact O-N 2.62Å; I248-A250 VanDerWaalsContact C-N 3.3Å; I248-A250 PolarHBondContact O-N 2.77Å; A250-R253 PolarHBondContact O-N 2.84Å; A250-K254 WeakPolarHBondContact O-CG 3.27Å; A250-K254 PolarHBondContact O-N 3.21Å |
| 251 | Y | 73.2 | Confident | 61.1 | Low | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64 | -45.3 | 175.4 | -175.9 | -106.4 | 0 | 0 | 0 | 111.6 | W168 I169 M172 F213 H218 L231 V247 I248 R253 K254 L255 | W168-Y251 AromaticContact CH2-CD2 3.99Å; W168-Y251 HydrophobicContact CH2-CD2 3.99Å; W168-Y251 AromaticContact CH2-CE2 3.46Å; W168-Y251 HydrophobicContact CH2-CE2 3.46Å; W168-Y251 VanDerWaalsContact CH2-CE2 3.46Å; W168-Y251 HydrophobicContact CZ3-CD2 4.2Å; W168-Y251 AromaticContact CZ3-CE2 3.64Å; W168-Y251 HydrophobicContact CZ3-CE2 3.64Å; I169-Y251 HydrophobicContact CD1-CD2 4.36Å; I169-Y251 HydrophobicContact CG1-CD2 4.08Å; I169-Y251 HydrophobicContact CG2-CD2 4.11Å; M172-Y251 HydrophobicContact CE-CD2 4.3Å; M172-Y251 HydrophobicContact CE-CE2 3.78Å; M172-Y251 HydrophobicContact SD-CD2 3.51Å; M172-Y251 VanDerWaalsContact SD-CD2 3.51Å; M172-Y251 HydrophobicContact SD-CE2 3.4Å; M172-Y251 WeakPolarHBondContact SD-CE2 3.3Å; F213-Y251 AromaticContact CE1-CE1 3.67Å; F213-Y251 HydrophobicContact CE1-CE1 3.67Å; F213-Y251 AromaticContact CE1-CZ 3.69Å; F213-Y251 WeakPolarHBondContact CE1-OH 3.44Å; F213-Y251 HydrophobicContact CZ-CE1 4.07Å; H218-Y251 PolarHBondContact ND1-OH 3.09Å; L231-Y251 HydrophobicContact CD2-CD1 3.48Å; L231-Y251 VanDerWaalsContact CD2-CD1 3.48Å; L231-Y251 HydrophobicContact CD2-CE1 3.72Å; V247-Y251 WeakPolarHBondContact O-CB 3.48Å; V247-Y251 PolarHBondContact O-N 3.24Å; I248-Y251 CarbonylContact O-C 3.54Å; I248-Y251 WeakPolarHBondContact O-CB 3.45Å; I248-Y251 PolarHBondContact O-N 2.83Å; I248-Y251 VanDerWaalsContact O-N 3.14Å; Y251-R253 VanDerWaalsContact C-N 3.33Å; Y251-R253 PolarHBondContact O-N 3.04Å; Y251-K254 PolarHBondContact O-N 3.35Å; Y251-K254 VanDerWaalsContact O-N 3.16Å; Y251-L255 HydrophobicContact CD1-CD1 3.78Å; Y251-L255 HydrophobicContact CD1-CG 4.14Å; Y251-L255 HydrophobicContact CE1-CD1 3.16Å; Y251-L255 HydrophobicContact CE1-CD2 4.37Å; Y251-L255 HydrophobicContact CE1-CG 3.77Å; Y251-L255 HydrophobicContact CE2-CD1 4.44Å; Y251-L255 HydrophobicContact CE2-CD2 4.27Å; Y251-L255 HydrophobicContact CE2-CG 4.24Å; Y251-L255 WeakPolarHBondContact O-CG 3.39Å; Y251-L255 PolarHBondContact O-N 3.34Å |
| 252 | L | 70.5 | Confident | 60.3 | Low | 40 Ų | 40 | 60.3 Ų | 60.3 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 174.4 | -70.3 | 179 | 0 | 0 | 0 | 111.2 | L228 L231 I248 K254 L255 S256 | L228-L252 HydrophobicContact CD1-CD2 3Å; L228-L252 HydrophobicContact CD1-CG 4.47Å; L231-L252 HydrophobicContact CD2-CD2 4.2Å; I248-L252 HydrophobicContact CG2-CD1 3.73Å; I248-L252 HydrophobicContact CG2-CG 3.9Å; I248-L252 VanDerWaalsContact O-CB 3.28Å; I248-L252 WeakPolarHBondContact O-CB 3.24Å; I248-L252 WeakPolarHBondContact O-CG 3.45Å; I248-L252 PolarHBondContact O-N 2.78Å; L252-K254 VanDerWaalsContact C-N 3.33Å; L252-K254 PolarHBondContact O-N 3.45Å; L252-L255 PolarHBondContact O-N 2.97Å; L252-S256 WeakPolarHBondContact O-CB 3.03Å; L252-S256 PolarHBondContact O-N 3.2Å; L252-S256 PolarHBondContact O-OG 2.92Å |
| 253 | R | 68.1 | Low | 59.5 | Low | 137 Ų | 137 | 63.6 Ų | 63.6 | 52% | 0.517 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 175.7 | 178.3 | 175.3 | 55.6 | 104.5 | -0.1 | 111.6 | A249 A250 Y251 | A249-R253 VanDerWaalsContact O-CB 3.25Å; A249-R253 WeakPolarHBondContact O-CB 3.26Å; A249-R253 PolarHBondContact O-N 3.47Å; A250-R253 PolarHBondContact O-N 2.84Å; Y251-R253 VanDerWaalsContact C-N 3.33Å; Y251-R253 PolarHBondContact O-N 3.04Å |
| 254 | K | 71.9 | Confident | 58.8 | Low | 62 Ų | 62 | 69 Ų | 69 | 27% | 0.27 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.2 | -33.5 | 176.6 | -74 | -166.8 | 172 | -152.4 | 0 | 113.8 | I169 S170 M172 A250 Y251 L252 | I169-K254 VanDerWaalsContact O-CD 3.24Å; I169-K254 WeakPolarHBondContact O-CD 3.5Å; I169-K254 WeakPolarHBondContact O-CE 3.32Å; I169-K254 PolarHBondContact O-NZ 3.15Å; S170-K254 PolarHBondContact O-NZ 3.15Å; M172-K254 HydrophobicContact CB-CD 3.93Å; M172-K254 PolarHBondContact O-NZ 2.7Å; M172-K254 HydrophobicContact SD-CD 4.38Å; A250-K254 WeakPolarHBondContact O-CG 3.27Å; A250-K254 PolarHBondContact O-N 3.21Å; Y251-K254 PolarHBondContact O-N 3.35Å; Y251-K254 VanDerWaalsContact O-N 3.16Å; L252-K254 VanDerWaalsContact C-N 3.33Å; L252-K254 PolarHBondContact O-N 3.45Å |
| 255 | L | 67.7 | Low | 57.6 | Low | 7 Ų | 7 | 73.2 Ų | 73.2 | 4% | 0.037 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -76.3 | -38.5 | 178.5 | -75 | -170.8 | 0 | 0 | 0 | 113 | M172 N224 R227 L228 Y251 L252 | M172-L255 HydrophobicContact CE-CD2 3.97Å; N224-L255 HydrophobicContact CB-CB 4.32Å; N224-L255 HydrophobicContact CB-CD2 3.99Å; N224-L255 PolarHBondContact ND2-O 3.21Å; N224-L255 VanDerWaalsContact OD1-CD2 3.32Å; N224-L255 WeakPolarHBondContact OD1-CD2 3.43Å; R227-L255 HydrophobicContact CB-CD1 4.04Å; L228-L255 HydrophobicContact CB-CD1 4.23Å; Y251-L255 HydrophobicContact CD1-CD1 3.78Å; Y251-L255 HydrophobicContact CD1-CG 4.14Å; Y251-L255 HydrophobicContact CE1-CD1 3.16Å; Y251-L255 HydrophobicContact CE1-CD2 4.37Å; Y251-L255 HydrophobicContact CE1-CG 3.77Å; Y251-L255 HydrophobicContact CE2-CD1 4.44Å; Y251-L255 HydrophobicContact CE2-CD2 4.27Å; Y251-L255 HydrophobicContact CE2-CG 4.24Å; Y251-L255 WeakPolarHBondContact O-CG 3.39Å; Y251-L255 PolarHBondContact O-N 3.34Å; L252-L255 PolarHBondContact O-N 2.97Å |
| 256 | S | 59.8 | Low | 56.4 | Low | 40 Ų | 40 | 76.4 Ų | 76.4 | 28% | 0.28 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -86.9 | -11.5 | -167.2 | 56.5 | 0 | 0 | 0 | 0 | 114.6 | L252 I258 | L252-S256 WeakPolarHBondContact O-CB 3.03Å; L252-S256 PolarHBondContact O-N 3.2Å; L252-S256 PolarHBondContact O-OG 2.92Å; S256-I258 WeakPolarHBondContact O-CD1 3.46Å; S256-I258 WeakPolarHBondContact O-CG1 3.46Å; S256-I258 PolarHBondContact O-N 3.11Å |
| 257 | N | 55 | Low | 55.5 | Low | 121 Ų | 121 | 78.2 Ų | 78.2 | 65% | 0.647 | 41% | 0.405 | S | S | * | . | trans | 46.2 | 16.4 | -171.9 | -72.3 | -1.5 | 0 | 0 | 0 | 114.3 | ||||
| 258 | I | 48.6 | Very low | 54.7 | Low | 119 Ų | 119 | 80.8 Ų | 80.8 | 61% | 0.61 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -112.8 | 126.4 | -174.5 | -71.1 | 157.4 | 0 | 0 | 0 | 106.2 | S256 | S256-I258 WeakPolarHBondContact O-CD1 3.46Å; S256-I258 WeakPolarHBondContact O-CG1 3.46Å; S256-I258 PolarHBondContact O-N 3.11Å |
| 259 | E | 45.3 | Very low | 53.8 | Low | 180 Ų | 180 | 84.9 Ų | 84.9 | 84% | 0.841 | 44% | 0.443 | S | S | * | . | trans | -47.4 | 125.1 | 172.7 | -158 | 179.3 | -164.6 | 0 | 0 | 109 | V261 | E259-V261 PolarHBondContact O-N 3.43Å; E259-V261 VanDerWaalsContact O-N 3.16Å | ||
| 260 | P | 44.7 | Very low | 53.3 | Low | 77 Ų | 77 | 87.6 Ų | 87.6 | 50% | 0.5 | 46% | 0.457 | S | S | . | . | trans | -62.6 | 127.5 | -161.8 | 23.9 | -32.6 | 0 | 0 | 0 | 109.5 | K262 | P260-K262 PolarHBondContact O-N 2.91Š| ||
| 261 | V | 41.7 | Very low | 52.9 | Low | 130 Ų | 130 | 86.6 Ų | 86.6 | 79% | 0.788 | 45% | 0.449 | S | S | * | . | trans | -37.1 | 119.1 | 144.6 | 172.2 | 0 | 0 | 0 | 0 | 105.2 | E259 V263 | E259-V261 PolarHBondContact O-N 3.43Å; E259-V261 VanDerWaalsContact O-N 3.16Å; V261-V263 WeakPolarHBondContact O-CG2 3.46Å; V261-V263 PolarHBondContact O-N 2.9Å | ||
| 262 | K | 39.6 | Very low | 52.6 | Low | 189 Ų | 189 | 88.1 Ų | 88.1 | 82% | 0.822 | 46% | 0.457 | S | S | * | . | trans | -50.8 | 73.5 | -171.2 | -169.6 | 170.6 | -176.9 | 166 | 0 | 112.2 | P260 R264 | P260-K262 PolarHBondContact O-N 2.91Å; K262-R264 PolarHBondContact O-N 3.14Å | ||
| 263 | V | 42.5 | Very low | 52.7 | Low | 76 Ų | 76 | 91.8 Ų | 91.8 | 46% | 0.461 | 47% | 0.473 | S | S | . | . | trans | -78.8 | 74.5 | 166.6 | -175.5 | 0 | 0 | 0 | 0 | 104.7 | A249 V261 C265 L267 | A249-V263 HydrophobicContact CB-CB 4.45Å; A249-V263 HydrophobicContact CB-CG1 4.02Å; V261-V263 WeakPolarHBondContact O-CG2 3.46Å; V261-V263 PolarHBondContact O-N 2.9Å; V263-C265 PolarHBondContact O-N 3.13Å; V263-L267 HydrophobicContact CG1-CD1 4.45Å; V263-L267 HydrophobicContact CG1-CD2 4.33Å | ||
| 264 | R | 39.9 | Very low | 52.9 | Low | 150 Ų | 150 | 88.1 Ų | 88.1 | 57% | 0.566 | 47% | 0.468 | S | S | * | . | trans | -14.8 | 113.2 | 170.6 | -167.9 | 163.4 | 169.3 | -175.9 | -9.4 | 113.5 | K262 D266 L267 | K262-R264 PolarHBondContact O-N 3.14Å; R264-D266 HydrophobicContact CG-CB 3.83Å; R264-D266 VanDerWaalsContact CG-OD2 3.3Å; R264-D266 WeakPolarHBondContact CG-OD2 3.03Å; R264-D266 IonicContact CZ-OD2 3.8Å; R264-D266 IonicContact NE-OD2 2.77Å; R264-D266 PolarHBondContact NE-OD2 2.88Å; R264-D266 IonicContact NH2-OD2 3.74Å; R264-D266 PolarHBondContact O-N 3.47Å; R264-L267 HydrophobicContact CB-CD1 3.91Å; R264-L267 WeakPolarHBondContact O-CB 3.43Å; R264-L267 WeakPolarHBondContact O-CD1 3.16Å; R264-L267 PolarHBondContact O-N 3.35Å | ||
| 265 | C | 37.6 | Very low | 53.1 | Low | 91 Ų | 91 | 85.5 Ų | 85.5 | 62% | 0.615 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -14.7 | 172.2 | -47.7 | 0 | 0 | 0 | 0 | 113.8 | V263 L267 D268 | V263-C265 PolarHBondContact O-N 3.13Å; C265-L267 PolarHBondContact O-N 3.48Å; C265-D268 PolarHBondContact O-N 3.28Å; C265-D268 VanDerWaalsContact O-N 3.15Å |
| 266 | D | 40.1 | Very low | 53.9 | Low | 84 Ų | 84 | 85.9 Ų | 85.9 | 45% | 0.449 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.4 | -18.5 | 169.2 | -50.2 | -26.2 | 0 | 0 | 0 | 112.5 | R264 D268 T270 | R264-D266 HydrophobicContact CG-CB 3.83Å; R264-D266 VanDerWaalsContact CG-OD2 3.3Å; R264-D266 WeakPolarHBondContact CG-OD2 3.03Å; R264-D266 IonicContact CZ-OD2 3.8Å; R264-D266 IonicContact NE-OD2 2.77Å; R264-D266 PolarHBondContact NE-OD2 2.88Å; R264-D266 IonicContact NH2-OD2 3.74Å; R264-D266 PolarHBondContact O-N 3.47Å; D266-D268 VanDerWaalsContact C-N 3.28Å; D266-D268 PolarHBondContact O-N 3.21Å; D266-T270 WeakPolarHBondContact O-CG2 3.4Å; D266-T270 PolarHBondContact O-N 3.14Å; D266-T270 PolarHBondContact O-OG1 2.88Å |
| 267 | L | 45.1 | Very low | 55.1 | Low | 57 Ų | 57 | 86.1 Ų | 86.1 | 30% | 0.298 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.5 | -34.1 | 172.4 | -89.8 | 89.1 | 0 | 0 | 0 | 111.3 | S245 V263 R264 C265 T270 A271 | S245-L267 VanDerWaalsContact OG-CD2 3.28Å; S245-L267 WeakPolarHBondContact OG-CD2 3.5Å; V263-L267 HydrophobicContact CG1-CD1 4.45Å; V263-L267 HydrophobicContact CG1-CD2 4.33Å; R264-L267 HydrophobicContact CB-CD1 3.91Å; R264-L267 WeakPolarHBondContact O-CB 3.43Å; R264-L267 WeakPolarHBondContact O-CD1 3.16Å; R264-L267 PolarHBondContact O-N 3.35Å; C265-L267 PolarHBondContact O-N 3.48Å; L267-T270 PolarHBondContact O-OG1 3.47Å; L267-A271 WeakPolarHBondContact O-CA 3.4Å; L267-A271 WeakPolarHBondContact O-CB 3.41Å; L267-A271 PolarHBondContact O-N 3.39Å |
| 268 | D | 50.4 | Low | 56.5 | Low | 79 Ų | 79 | 81.2 Ų | 81.2 | 42% | 0.422 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.5 | -45.5 | -171 | -69.4 | -24.2 | 0 | 0 | 0 | 113.2 | A246 C265 D266 A271 I272 | A246-D268 WeakPolarHBondContact CB-OD1 3.36Å; C265-D268 PolarHBondContact O-N 3.28Å; C265-D268 VanDerWaalsContact O-N 3.15Å; D266-D268 VanDerWaalsContact C-N 3.28Å; D266-D268 PolarHBondContact O-N 3.21Å; D268-A271 WeakPolarHBondContact O-CB 3.48Å; D268-I272 WeakPolarHBondContact O-CD1 3.32Å; D268-I272 VanDerWaalsContact O-CG1 3.26Å; D268-I272 WeakPolarHBondContact O-CG1 3.45Å; D268-I272 PolarHBondContact O-N 2.74Å; D268-I272 VanDerWaalsContact O-N 3.14Å |
| 269 | V | 53.7 | Low | 58.4 | Low | 90 Ų | 90 | 75.5 Ų | 75.5 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -74.6 | -45.8 | -179 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | A271 I272 H273 | V269-A271 PolarHBondContact O-N 2.77Å; V269-I272 PolarHBondContact O-N 3.28Å; V269-H273 PolarHBondContact O-CD2 3.01Å; V269-H273 PolarHBondContact O-N 2.94Å; V269-H273 VanDerWaalsContact O-N 3.11Å |
| 270 | T | 54.9 | Low | 60.5 | Low | 82 Ų | 82 | 69.5 Ų | 69.5 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.1 | -33 | 176.5 | 57.9 | 0 | 0 | 0 | 0 | 111.8 | D266 L267 S274 | D266-T270 WeakPolarHBondContact O-CG2 3.4Å; D266-T270 PolarHBondContact O-N 3.14Å; D266-T270 PolarHBondContact O-OG1 2.88Å; L267-T270 PolarHBondContact O-OG1 3.47Å; T270-S274 WeakPolarHBondContact O-CB 3.28Å; T270-S274 PolarHBondContact O-N 3.33Å; T270-S274 PolarHBondContact O-OG 3.23Å |
| 271 | A | 59.7 | Low | 62.7 | Low | 4 Ų | 4 | 72.5 Ų | 72.5 | 3% | 0.033 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.6 | -49.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | G242 L267 D268 V269 H273 S274 I275 | G242-A271 VanDerWaalsContact CA-CA 3.49Å; L267-A271 WeakPolarHBondContact O-CA 3.4Å; L267-A271 WeakPolarHBondContact O-CB 3.41Å; L267-A271 PolarHBondContact O-N 3.39Å; D268-A271 WeakPolarHBondContact O-CB 3.48Å; V269-A271 PolarHBondContact O-N 2.77Å; A271-H273 VanDerWaalsContact C-N 3.34Å; A271-H273 PolarHBondContact O-N 3.24Å; A271-S274 PolarHBondContact O-N 2.79Å; A271-I275 WeakPolarHBondContact O-CG1 3.19Å; A271-I275 PolarHBondContact O-N 2.71Å |
| 272 | I | 67.2 | Low | 64.9 | Low | 36 Ų | 36 | 69 Ų | 69 | 19% | 0.185 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 179.5 | -74.2 | 161.8 | 0 | 0 | 0 | 109.4 | D268 V269 S274 I275 I276 R316 | D268-I272 WeakPolarHBondContact O-CD1 3.32Å; D268-I272 VanDerWaalsContact O-CG1 3.26Å; D268-I272 WeakPolarHBondContact O-CG1 3.45Å; D268-I272 PolarHBondContact O-N 2.74Å; D268-I272 VanDerWaalsContact O-N 3.14Å; V269-I272 PolarHBondContact O-N 3.28Å; I272-S274 VanDerWaalsContact C-N 3.33Å; I272-S274 PolarHBondContact O-N 2.91Å; I272-I275 PolarHBondContact O-N 3.35Å; I272-I276 HydrophobicContact CG2-CD1 3.61Å; I272-I276 HydrophobicContact CG2-CG1 4.4Å; I272-I276 VanDerWaalsContact O-CG1 3.27Å; I272-I276 WeakPolarHBondContact O-CG1 3.49Å; I272-I276 PolarHBondContact O-N 2.84Å; I272-R316 VanDerWaalsContact CG2-NH2 3.28Å |
| 273 | H | 72.6 | Confident | 67.4 | Low | 117 Ų | 117 | 60.2 Ų | 60.2 | 54% | 0.542 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 178.4 | -70.7 | -62.2 | 0 | 0 | 0 | 112.5 | V269 A271 I275 I276 A277 | V269-H273 PolarHBondContact O-CD2 3.01Å; V269-H273 PolarHBondContact O-N 2.94Å; V269-H273 VanDerWaalsContact O-N 3.11Å; A271-H273 VanDerWaalsContact C-N 3.34Å; A271-H273 PolarHBondContact O-N 3.24Å; H273-I275 VanDerWaalsContact C-N 3.32Å; H273-I275 PolarHBondContact O-N 3.42Å; H273-I276 PolarHBondContact O-N 3.5Å; H273-A277 VanDerWaalsContact O-CB 3.22Å; H273-A277 WeakPolarHBondContact O-CB 3.38Å; H273-A277 PolarHBondContact O-N 2.88Å |
| 274 | S | 73.6 | Confident | 69.8 | Low | 60 Ų | 60 | 59 Ų | 59 | 42% | 0.42 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 177.1 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | T270 A271 I272 A278 | T270-S274 WeakPolarHBondContact O-CB 3.28Å; T270-S274 PolarHBondContact O-N 3.33Å; T270-S274 PolarHBondContact O-OG 3.23Å; A271-S274 PolarHBondContact O-N 2.79Å; I272-S274 VanDerWaalsContact C-N 3.33Å; I272-S274 PolarHBondContact O-N 2.91Å; S274-A278 WeakPolarHBondContact O-CB 3.3Å; S274-A278 PolarHBondContact O-N 3.27Å |
| 275 | I | 75.6 | Confident | 72.2 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -73.9 | -42.8 | 178.4 | -68.7 | 175.5 | 0 | 0 | 0 | 111.1 | P203 N243 A271 I272 H273 A277 A278 C279 V310 | P203-I275 HydrophobicContact CB-CD1 4.31Å; P203-I275 HydrophobicContact CB-CG1 4.26Å; P203-I275 HydrophobicContact CB-CG2 4.34Å; N243-I275 HydrophobicContact CB-CD1 4.15Å; A271-I275 WeakPolarHBondContact O-CG1 3.19Å; A271-I275 PolarHBondContact O-N 2.71Å; I272-I275 PolarHBondContact O-N 3.35Å; H273-I275 VanDerWaalsContact C-N 3.32Å; H273-I275 PolarHBondContact O-N 3.42Å; I275-A277 VanDerWaalsContact C-N 3.3Å; I275-A277 PolarHBondContact O-N 3.12Å; I275-A278 PolarHBondContact O-N 3.33Å; I275-A278 VanDerWaalsContact O-N 3.14Å; I275-C279 PolarHBondContact O-N 3.33Å; I275-C279 PolarHBondContact O-SG 2.88Å; I275-C279 VanDerWaalsContact O-SG 3.35Å; I275-V310 HydrophobicContact CG2-CG1 3.93Å |
| 276 | I | 83.4 | Confident | 74.7 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 8% | 0.077 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.2 | -48.2 | 172.8 | -66.5 | 164.8 | 0 | 0 | 0 | 109.6 | I272 H273 A278 C279 L280 R316 E319 | I272-I276 HydrophobicContact CG2-CD1 3.61Å; I272-I276 HydrophobicContact CG2-CG1 4.4Å; I272-I276 VanDerWaalsContact O-CG1 3.27Å; I272-I276 WeakPolarHBondContact O-CG1 3.49Å; I272-I276 PolarHBondContact O-N 2.84Å; H273-I276 PolarHBondContact O-N 3.5Å; I276-A278 VanDerWaalsContact C-N 3.31Å; I276-A278 PolarHBondContact O-N 3.01Å; I276-C279 WeakPolarHBondContact O-CB 3.29Å; I276-C279 PolarHBondContact O-N 3.25Å; I276-C279 VanDerWaalsContact O-N 3.15Å; I276-L280 HydrophobicContact CG2-CD1 3.87Å; I276-L280 HydrophobicContact CG2-CG 4.21Å; I276-L280 WeakPolarHBondContact O-CG 3.3Å; I276-L280 PolarHBondContact O-N 2.83Å; I276-R316 HydrophobicContact CD1-CG 4.2Å; I276-R316 HydrophobicContact CG1-CG 4.16Å; I276-E319 HydrophobicContact CG2-CG 3.84Å |
| 277 | A | 85.5 | Confident | 77.2 | Confident | 46 Ų | 46 | 53 Ų | 53 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.3 | -38.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | H273 I275 R281 | H273-A277 VanDerWaalsContact O-CB 3.22Å; H273-A277 WeakPolarHBondContact O-CB 3.38Å; H273-A277 PolarHBondContact O-N 2.88Å; I275-A277 VanDerWaalsContact C-N 3.3Å; I275-A277 PolarHBondContact O-N 3.12Å; A277-R281 WeakPolarHBondContact O-CB 3.28Å; A277-R281 PolarHBondContact O-N 3.43Å |
| 278 | A | 84.7 | Confident | 79.5 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S274 I275 I276 R281 K282 | S274-A278 WeakPolarHBondContact O-CB 3.3Å; S274-A278 PolarHBondContact O-N 3.27Å; I275-A278 PolarHBondContact O-N 3.33Å; I275-A278 VanDerWaalsContact O-N 3.14Å; I276-A278 VanDerWaalsContact C-N 3.31Å; I276-A278 PolarHBondContact O-N 3.01Å; A278-R281 PolarHBondContact O-N 2.89Å; A278-K282 WeakPolarHBondContact O-CB 3.42Å; A278-K282 PolarHBondContact O-N 3.2Å |
| 279 | C | 88.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -50.1 | 174.3 | -72 | 0 | 0 | 0 | 0 | 111.4 | I275 I276 R281 K282 L283 V307 L311 | I275-C279 PolarHBondContact O-N 3.33Å; I275-C279 PolarHBondContact O-SG 2.88Å; I275-C279 VanDerWaalsContact O-SG 3.35Å; I276-C279 WeakPolarHBondContact O-CB 3.29Å; I276-C279 PolarHBondContact O-N 3.25Å; I276-C279 VanDerWaalsContact O-N 3.15Å; C279-R281 VanDerWaalsContact C-N 3.31Å; C279-R281 PolarHBondContact O-N 3.12Å; C279-K282 PolarHBondContact O-N 3.39Å; C279-K282 VanDerWaalsContact O-N 3.13Å; C279-L283 WeakPolarHBondContact O-CG 3.4Å; C279-L283 PolarHBondContact O-N 3.07Å; C279-V307 HydrophobicContact CB-CG1 3.62Å; C279-L311 HydrophobicContact CB-CD1 4.3Å; C279-L311 HydrophobicContact CB-CD2 3.84Å; C279-L311 HydrophobicContact CB-CG 4.05Å |
| 280 | L | 90.6 | Very high | 83.3 | Confident | 53 Ų | 53 | 51.5 Ų | 51.5 | 28% | 0.277 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 178.3 | -66.5 | 177.9 | 0 | 0 | 0 | 111.9 | I276 L283 S284 T325 | I276-L280 HydrophobicContact CG2-CD1 3.87Å; I276-L280 HydrophobicContact CG2-CG 4.21Å; I276-L280 WeakPolarHBondContact O-CG 3.3Å; I276-L280 PolarHBondContact O-N 2.83Å; L280-L283 PolarHBondContact O-N 3.36Å; L280-S284 WeakPolarHBondContact O-CB 3.09Å; L280-S284 PolarHBondContact O-N 2.96Å; L280-S284 PolarHBondContact O-OG 3.11Å; L280-T325 HydrophobicContact CD2-CG2 4.12Å |
| 281 | R | 89.1 | Confident | 84.7 | Confident | 140 Ų | 140 | 53 Ų | 53 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 173.4 | -162.9 | -172.1 | -31.2 | 105.7 | 7.3 | 111.7 | A277 A278 C279 S284 N285 | A277-R281 WeakPolarHBondContact O-CB 3.28Å; A277-R281 PolarHBondContact O-N 3.43Å; A278-R281 PolarHBondContact O-N 2.89Å; C279-R281 VanDerWaalsContact C-N 3.31Å; C279-R281 PolarHBondContact O-N 3.12Å; R281-S284 VanDerWaalsContact CA-OG 3.31Å; R281-S284 WeakPolarHBondContact CA-OG 3.43Å; R281-S284 PolarHBondContact O-OG 3.28Å; R281-N285 VanDerWaalsContact O-CB 3.25Å; R281-N285 WeakPolarHBondContact O-CB 2.79Å; R281-N285 PolarHBondContact O-N 3.14Å; R281-N285 PolarHBondContact O-ND2 3.03Å |
| 282 | K | 89.4 | Confident | 85.6 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 25% | 0.252 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65 | -48.1 | 175.6 | -171.9 | 167.2 | 167.3 | -163.4 | 0 | 110.5 | F204 A278 C279 S284 N285 I286 V307 | F204-K282 HydrophobicContact CD2-CD 3.93Å; F204-K282 HydrophobicContact CE1-CD 4.18Å; F204-K282 HydrophobicContact CE2-CB 4.34Å; F204-K282 HydrophobicContact CE2-CD 3.36Å; F204-K282 HydrophobicContact CE2-CG 4.45Å; F204-K282 HydrophobicContact CZ-CB 4.18Å; F204-K282 HydrophobicContact CZ-CD 3.53Å; F204-K282 HydrophobicContact CZ-CG 4.45Å; A278-K282 WeakPolarHBondContact O-CB 3.42Å; A278-K282 PolarHBondContact O-N 3.2Å; C279-K282 PolarHBondContact O-N 3.39Å; C279-K282 VanDerWaalsContact O-N 3.13Å; K282-S284 PolarHBondContact O-N 3.46Å; K282-N285 CarbonylContact O-C 3.53Å; K282-N285 PolarHBondContact O-N 3.33Å; K282-I286 WeakPolarHBondContact O-CG1 3.38Å; K282-I286 PolarHBondContact O-N 2.74Å; K282-V307 HydrophobicContact CB-CG2 4.05Å; K282-V307 HydrophobicContact CD-CG2 3.52Å; K282-V307 HydrophobicContact CG-CG2 3.73Å |
| 283 | L | 92.5 | Very high | 86.4 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.1 | -42.2 | 176.8 | -71.4 | 172 | 0 | 0 | 0 | 113 | C279 L280 N285 I286 I304 V307 L311 T325 V329 I355 | C279-L283 WeakPolarHBondContact O-CG 3.4Å; C279-L283 PolarHBondContact O-N 3.07Å; L280-L283 PolarHBondContact O-N 3.36Å; L283-N285 VanDerWaalsContact C-N 3.35Å; L283-I286 HydrophobicContact CD2-CD1 4.03Å; L283-I304 HydrophobicContact CD2-CG1 4.48Å; L283-V307 HydrophobicContact CD1-CG1 4.01Å; L283-V307 HydrophobicContact CD2-CB 4.02Å; L283-V307 HydrophobicContact CD2-CG1 3.99Å; L283-V307 HydrophobicContact CD2-CG2 4.48Å; L283-V307 HydrophobicContact CG-CB 4.27Å; L283-V307 HydrophobicContact CG-CG1 3.7Å; L283-L311 HydrophobicContact CD1-CD1 4.49Å; L283-T325 HydrophobicContact CD1-CG2 3.63Å; L283-V329 HydrophobicContact CB-CG2 4.14Å; L283-V329 HydrophobicContact CD2-CG2 4.23Å; L283-I355 HydrophobicContact CD1-CD1 4.11Å; L283-I355 HydrophobicContact CD2-CD1 4.22Å |
| 284 | S | 91 | Very high | 87.1 | Confident | 52 Ų | 52 | 64.2 Ų | 64.2 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.1 | -29.8 | 178.4 | 48.5 | 0 | 0 | 0 | 0 | 113.3 | L280 R281 K282 K332 | L280-S284 WeakPolarHBondContact O-CB 3.09Å; L280-S284 PolarHBondContact O-N 2.96Å; L280-S284 PolarHBondContact O-OG 3.11Å; R281-S284 VanDerWaalsContact CA-OG 3.31Å; R281-S284 WeakPolarHBondContact CA-OG 3.43Å; R281-S284 PolarHBondContact O-OG 3.28Å; K282-S284 PolarHBondContact O-N 3.46Å; S284-K332 WeakPolarHBondContact O-CE 3.32Å; S284-K332 PolarHBondContact O-NZ 3.49Å |
| 285 | N | 91 | Very high | 87.9 | Confident | 116 Ų | 116 | 68 Ų | 68 | 62% | 0.62 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 9.3 | -178.6 | -66.2 | -24.2 | 0 | 0 | 0 | 114.2 | R281 K282 L283 E287 | R281-N285 VanDerWaalsContact O-CB 3.25Å; R281-N285 WeakPolarHBondContact O-CB 2.79Å; R281-N285 PolarHBondContact O-N 3.14Å; R281-N285 PolarHBondContact O-ND2 3.03Å; K282-N285 CarbonylContact O-C 3.53Å; K282-N285 PolarHBondContact O-N 3.33Å; L283-N285 VanDerWaalsContact C-N 3.35Å; N285-E287 PolarHBondContact O-N 3.25Å |
| 286 | I | 91.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.015 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 136.4 | 171.5 | -58.1 | -174.7 | 0 | 0 | 0 | 108.9 | K282 L283 F300 E303 I304 K332 | K282-I286 WeakPolarHBondContact O-CG1 3.38Å; K282-I286 PolarHBondContact O-N 2.74Å; L283-I286 HydrophobicContact CD2-CD1 4.03Å; I286-F300 HydrophobicContact CB-CE2 4.24Å; I286-F300 HydrophobicContact CG2-CD2 3.41Å; I286-F300 VanDerWaalsContact CG2-CD2 3.41Å; I286-F300 HydrophobicContact CG2-CE2 3.41Å; I286-F300 VanDerWaalsContact CG2-CE2 3.41Å; I286-F300 HydrophobicContact CG2-CG 4.49Å; I286-F300 HydrophobicContact CG2-CZ 4.5Å; I286-E303 HydrophobicContact CD1-CB 4.36Å; I286-I304 HydrophobicContact CD1-CG1 3.54Å; I286-K332 WeakPolarHBondContact O-CD 3.49Å; I286-K332 PolarHBondContact O-NZ 3.16Å; I286-K332 VanDerWaalsContact O-NZ 3.15Å |
| 287 | E | 92.4 | Very high | 89.1 | Confident | 80 Ų | 80 | 67.9 Ų | 67.9 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -64 | 131 | 176.1 | -168.8 | 178.2 | 155.1 | 0 | 0 | 109.5 | N285 K290 R299 | N285-E287 PolarHBondContact O-N 3.25Å; E287-K290 WeakPolarHBondContact OE1-CE 3.37Å; E287-K290 IonicContact OE1-NZ 2.62Å; E287-R299 IonicContact OE1-NH1 3.83Å; E287-R299 IonicContact OE2-CZ 2.66Å; E287-R299 IonicContact OE2-NH1 3.79Å; E287-R299 PolarHBondContact OE2-NH1 2.98Å; E287-R299 IonicContact OE2-NH2 3.54Å; E287-R299 PolarHBondContact OE2-NH2 3.02Å |
| 288 | P | 93.2 | Very high | 89.4 | Confident | 74 Ų | 74 | 68.1 Ų | 68.1 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 144.6 | 176.1 | -23 | 32.9 | 0 | 0 | 0 | 112.7 | K290 K332 | P288-K290 PolarHBondContact O-N 3.36Å; P288-K332 CarbonylContact C-O 3.55Å; P288-K332 VanDerWaalsContact CA-O 3.28Å; P288-K332 WeakPolarHBondContact CA-O 3.25Å; P288-K332 HydrophobicContact CG-CD 4.04Å |
| 289 | V | 92.9 | Very high | 89.8 | Confident | 11 Ų | 11 | 71.3 Ų | 71.3 | 7% | 0.067 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 130.7 | 179.7 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | D296 V297 F300 K332 L333 T334 L337 | V289-D296 VanDerWaalsContact CA-OD2 3.3Å; V289-D296 WeakPolarHBondContact CA-OD2 3.19Å; V289-V297 HydrophobicContact CG1-CG2 3.92Å; V289-F300 HydrophobicContact CG2-CB 3.7Å; V289-F300 HydrophobicContact CG2-CD1 3.74Å; V289-F300 HydrophobicContact CG2-CD2 3.52Å; V289-F300 HydrophobicContact CG2-CE1 4.2Å; V289-F300 HydrophobicContact CG2-CE2 4.03Å; V289-F300 HydrophobicContact CG2-CG 3.37Å; V289-F300 HydrophobicContact CG2-CZ 4.35Å; V289-K332 PolarHBondContact N-O 3.31Å; V289-L333 HydrophobicContact CG2-CD2 4.11Å; V289-T334 HydrophobicContact CB-CG2 4.18Å; V289-T334 HydrophobicContact CG1-CG2 4.15Å; V289-T334 WeakPolarHBondContact O-CG2 3.32Å; V289-L337 HydrophobicContact CG1-CD1 4.03Å |
| 290 | K | 90.4 | Very high | 90 | Very high | 108 Ų | 108 | 71.4 Ų | 71.4 | 47% | 0.47 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -71 | 146.3 | 175.5 | -67.9 | 171.4 | -174.6 | 160.6 | 0 | 110.9 | E287 P288 R292 C293 D296 | E287-K290 WeakPolarHBondContact OE1-CE 3.37Å; E287-K290 IonicContact OE1-NZ 2.62Å; P288-K290 PolarHBondContact O-N 3.36Å; K290-R292 PolarHBondContact O-N 2.98Å; K290-C293 HydrophobicContact CB-CB 4.28Å; K290-D296 HydrophobicContact CB-CB 4.22Å; K290-D296 WeakPolarHBondContact CB-OD2 3.26Å; K290-D296 WeakPolarHBondContact CG-OD2 3.38Å; K290-D296 PolarHBondContact N-OD2 3.37Å |
| 291 | V | 85.1 | Confident | 90.2 | Very high | 115 Ų | 115 | 69.7 Ų | 69.7 | 70% | 0.697 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | 127.6 | -178.2 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | C293 T334 | V291-C293 VanDerWaalsContact C-N 3.35Å; V291-C293 PolarHBondContact O-N 2.98Å; V291-T334 HydrophobicContact CG2-CG2 4.24Å |
| 292 | R | 78.9 | Confident | 90.2 | Very high | 246 Ų | 246 | 66.5 Ų | 66.5 | 93% | 0.928 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 39.3 | 173.1 | -62.6 | 173.5 | -179.9 | 175.7 | -0.7 | 114.2 | K290 | K290-R292 PolarHBondContact O-N 2.98Š|
| 293 | C | 83.8 | Confident | 90.3 | Very high | 46 Ų | 46 | 65.8 Ų | 65.8 | 31% | 0.311 | 33% | 0.33 | S | S | . | . | trans | -124.8 | 103.4 | 175.7 | -171.8 | 0 | 0 | 0 | 0 | 110.3 | K290 V291 L295 D296 V297 | K290-C293 HydrophobicContact CB-CB 4.28Å; V291-C293 VanDerWaalsContact C-N 3.35Å; V291-C293 PolarHBondContact O-N 2.98Å; C293-L295 VanDerWaalsContact C-N 3.3Å; C293-L295 PolarHBondContact O-N 2.94Å; C293-D296 HydrophobicContact CB-CB 3.83Å; C293-D296 PolarHBondContact O-N 3.2Å; C293-D296 VanDerWaalsContact O-N 3.11Å; C293-V297 PolarHBondContact O-N 2.73Å | ||
| 294 | D | 87.4 | Confident | 90.3 | Very high | 100 Ų | 100 | 65.6 Ų | 65.6 | 54% | 0.535 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.5 | -34.6 | -178.8 | -66.2 | -38.8 | 0 | 0 | 0 | 112.3 | D296 V297 E298 N369 | D294-D296 PolarHBondContact O-N 2.77Å; D294-V297 WeakPolarHBondContact O-CB 3.39Å; D294-V297 PolarHBondContact O-N 2.96Å; D294-E298 PolarHBondContact O-N 3.19Å; D294-N369 HydrophobicContact CB-CB 4.5Å; D294-N369 WeakPolarHBondContact CB-ND2 3.33Å; D294-N369 PolarHBondContact OD1-ND2 3.38Å |
| 295 | L | 88.8 | Confident | 90.2 | Very high | 138 Ų | 138 | 65.3 Ų | 65.3 | 72% | 0.723 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.3 | -35.6 | 172.5 | -68.5 | 171.2 | 0 | 0 | 0 | 112.3 | C293 E298 R299 | C293-L295 VanDerWaalsContact C-N 3.3Å; C293-L295 PolarHBondContact O-N 2.94Å; L295-E298 PolarHBondContact O-N 3.36Å; L295-R299 WeakPolarHBondContact O-CB 3.32Å; L295-R299 PolarHBondContact O-N 3.43Å |
| 296 | D | 91.8 | Very high | 89.9 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 6% | 0.064 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -77.8 | -29.5 | -179.7 | -158 | 68.3 | 0 | 0 | 0 | 111.7 | V289 K290 C293 D294 R299 F300 | V289-D296 VanDerWaalsContact CA-OD2 3.3Å; V289-D296 WeakPolarHBondContact CA-OD2 3.19Å; K290-D296 HydrophobicContact CB-CB 4.22Å; K290-D296 WeakPolarHBondContact CB-OD2 3.26Å; K290-D296 WeakPolarHBondContact CG-OD2 3.38Å; K290-D296 PolarHBondContact N-OD2 3.37Å; C293-D296 HydrophobicContact CB-CB 3.83Å; C293-D296 PolarHBondContact O-N 3.2Å; C293-D296 VanDerWaalsContact O-N 3.11Å; D294-D296 PolarHBondContact O-N 2.77Å; D296-R299 IonicContact OD1-NH1 2.78Å; D296-F300 VanDerWaalsContact O-CB 3.25Å; D296-F300 WeakPolarHBondContact O-CB 3.19Å; D296-F300 PolarHBondContact O-N 3.14Å |
| 297 | V | 92.4 | Very high | 89.7 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 5% | 0.048 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 168.4 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | V289 C293 D294 F300 Y301 L337 L362 I365 V366 | V289-V297 HydrophobicContact CG1-CG2 3.92Å; C293-V297 PolarHBondContact O-N 2.73Å; D294-V297 WeakPolarHBondContact O-CB 3.39Å; D294-V297 PolarHBondContact O-N 2.96Å; V297-F300 PolarHBondContact O-N 3.33Å; V297-Y301 WeakPolarHBondContact O-CB 3.38Å; V297-Y301 PolarHBondContact O-N 3.39Å; V297-L337 HydrophobicContact CG2-CD1 3.98Å; V297-L362 HydrophobicContact CG1-CD2 4.29Å; V297-I365 HydrophobicContact CG1-CG2 4.04Å; V297-V366 HydrophobicContact CG1-CG2 4.27Å |
| 298 | E | 91.5 | Very high | 89.6 | Confident | 51 Ų | 51 | 59.6 Ų | 59.6 | 24% | 0.238 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -47 | 176.5 | -178.9 | 171.9 | 150.2 | 0 | 0 | 112 | D294 L295 F300 Y301 L302 V366 R370 | D294-E298 PolarHBondContact O-N 3.19Å; L295-E298 PolarHBondContact O-N 3.36Å; E298-F300 PolarHBondContact O-N 3.01Å; E298-Y301 WeakPolarHBondContact O-CB 3.5Å; E298-Y301 PolarHBondContact O-N 3Å; E298-L302 HydrophobicContact CG-CD1 4.14Å; E298-L302 WeakPolarHBondContact O-CG 3.38Å; E298-L302 PolarHBondContact O-N 3.33Å; E298-V366 HydrophobicContact CB-CG1 4.13Å; E298-V366 HydrophobicContact CB-CG2 4.14Å; E298-V366 HydrophobicContact CG-CG1 3.83Å; E298-R370 IonicContact OE1-CZ 3.3Å; E298-R370 IonicContact OE1-NE 3.63Å; E298-R370 IonicContact OE1-NH2 3.59Å; E298-R370 PolarHBondContact OE1-NH2 3.03Å; E298-R370 IonicContact OE2-CZ 2.7Å; E298-R370 IonicContact OE2-NE 3.65Å; E298-R370 PolarHBondContact OE2-NE 3.14Å; E298-R370 VanDerWaalsContact OE2-NE 3.07Å; E298-R370 IonicContact OE2-NH2 3.7Å; E298-R370 PolarHBondContact OE2-NH2 3.28Å |
| 299 | R | 93.5 | Very high | 89.1 | Confident | 83 Ų | 83 | 57.8 Ų | 57.8 | 31% | 0.313 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 174.2 | 175.4 | -124.4 | 168.9 | 154.3 | -2.7 | 111.7 | E287 L295 D296 Y301 L302 E303 | E287-R299 IonicContact OE1-NH1 3.83Å; E287-R299 IonicContact OE2-CZ 2.66Å; E287-R299 IonicContact OE2-NH1 3.79Å; E287-R299 PolarHBondContact OE2-NH1 2.98Å; E287-R299 IonicContact OE2-NH2 3.54Å; E287-R299 PolarHBondContact OE2-NH2 3.02Å; L295-R299 WeakPolarHBondContact O-CB 3.32Å; L295-R299 PolarHBondContact O-N 3.43Å; D296-R299 IonicContact OD1-NH1 2.78Å; R299-Y301 PolarHBondContact O-N 2.94Å; R299-L302 PolarHBondContact O-N 2.93Å; R299-E303 IonicContact CZ-OE1 3.73Å; R299-E303 VanDerWaalsContact CZ-OE1 3.3Å; R299-E303 IonicContact NE-OE1 3.59Å; R299-E303 PolarHBondContact NE-OE1 2.92Å; R299-E303 IonicContact NH2-OE1 2.72Å; R299-E303 PolarHBondContact NH2-OE1 3.03Å; R299-E303 PolarHBondContact O-N 3.06Å |
| 300 | F | 94.2 | Very high | 88.5 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 1% | 0.013 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 178.2 | -176.3 | -96.1 | 0 | 0 | 0 | 112.3 | I286 V289 D296 V297 E298 E303 I304 V329 K332 L333 L362 | I286-F300 HydrophobicContact CB-CE2 4.24Å; I286-F300 HydrophobicContact CG2-CD2 3.41Å; I286-F300 VanDerWaalsContact CG2-CD2 3.41Å; I286-F300 HydrophobicContact CG2-CE2 3.41Å; I286-F300 VanDerWaalsContact CG2-CE2 3.41Å; I286-F300 HydrophobicContact CG2-CG 4.49Å; I286-F300 HydrophobicContact CG2-CZ 4.5Å; V289-F300 HydrophobicContact CG2-CB 3.7Å; V289-F300 HydrophobicContact CG2-CD1 3.74Å; V289-F300 HydrophobicContact CG2-CD2 3.52Å; V289-F300 HydrophobicContact CG2-CE1 4.2Å; V289-F300 HydrophobicContact CG2-CE2 4.03Å; V289-F300 HydrophobicContact CG2-CG 3.37Å; V289-F300 HydrophobicContact CG2-CZ 4.35Å; D296-F300 VanDerWaalsContact O-CB 3.25Å; D296-F300 WeakPolarHBondContact O-CB 3.19Å; D296-F300 PolarHBondContact O-N 3.14Å; V297-F300 PolarHBondContact O-N 3.33Å; E298-F300 PolarHBondContact O-N 3.01Å; F300-E303 PolarHBondContact O-N 3.42Å; F300-I304 HydrophobicContact CD1-CD1 3.66Å; F300-I304 HydrophobicContact CE1-CD1 3.16Å; F300-I304 HydrophobicContact CE1-CG1 4.34Å; F300-I304 HydrophobicContact CE2-CD1 4.42Å; F300-I304 HydrophobicContact CG-CD1 4.46Å; F300-I304 HydrophobicContact CZ-CD1 3.6Å; F300-I304 WeakPolarHBondContact O-CG1 3.39Å; F300-I304 PolarHBondContact O-N 3.33Å; F300-I304 VanDerWaalsContact O-N 3.14Å; F300-V329 HydrophobicContact CE1-CG1 4.32Å; F300-V329 HydrophobicContact CZ-CG1 3.9Å; F300-K332 HydrophobicContact CE2-CB 3.58Å; F300-K332 HydrophobicContact CE2-CG 4.46Å; F300-K332 HydrophobicContact CZ-CB 3.77Å; F300-L333 HydrophobicContact CD1-CD2 3.98Å; F300-L333 HydrophobicContact CE1-CD2 3.41Å; F300-L333 VanDerWaalsContact CE1-CD2 3.41Å; F300-L333 HydrophobicContact CE1-CG 4.36Å; F300-L333 HydrophobicContact CZ-CD2 4.01Å; F300-L362 HydrophobicContact CD1-CD1 3.94Å; F300-L362 HydrophobicContact CE1-CD1 3.94Å |
| 301 | Y | 93.2 | Very high | 88.2 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58 | -51.9 | 173.7 | 163.5 | -110.7 | 0 | 0 | 0 | 111.7 | V297 E298 R299 E303 I304 H305 E359 L362 E363 V366 | V297-Y301 WeakPolarHBondContact O-CB 3.38Å; V297-Y301 PolarHBondContact O-N 3.39Å; E298-Y301 WeakPolarHBondContact O-CB 3.5Å; E298-Y301 PolarHBondContact O-N 3Å; R299-Y301 PolarHBondContact O-N 2.94Å; Y301-E303 VanDerWaalsContact C-N 3.32Å; Y301-E303 PolarHBondContact O-N 3.25Å; Y301-I304 PolarHBondContact O-N 3.3Å; Y301-H305 HydrophobicContact CE2-CB 4.24Å; Y301-H305 VanDerWaalsContact O-CB 3.3Å; Y301-H305 WeakPolarHBondContact O-CB 3.34Å; Y301-H305 PolarHBondContact O-N 2.83Å; Y301-E359 HydrophobicContact CE2-CG 4.08Å; Y301-L362 HydrophobicContact CD2-CB 3.8Å; Y301-L362 HydrophobicContact CG-CB 4.37Å; Y301-E363 HydrophobicContact CD2-CB 4.33Å; Y301-E363 HydrophobicContact CE2-CB 3.55Å; Y301-E363 HydrophobicContact CE2-CG 4.26Å; Y301-E363 WeakPolarHBondContact OH-CG 3.05Å; Y301-E363 PolarHBondContact OH-OE1 3.33Å; Y301-V366 HydrophobicContact CD1-CB 4.48Å; Y301-V366 HydrophobicContact CD1-CG2 4.09Å; Y301-V366 HydrophobicContact CG-CG2 4.12Å |
| 302 | L | 89.7 | Confident | 88.2 | Confident | 73 Ų | 73 | 50.6 Ų | 50.6 | 38% | 0.382 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.1 | -40.7 | -178.9 | -69 | 171.9 | 0 | 0 | 0 | 111.8 | E298 R299 I304 H305 D306 | E298-L302 HydrophobicContact CG-CD1 4.14Å; E298-L302 WeakPolarHBondContact O-CG 3.38Å; E298-L302 PolarHBondContact O-N 3.33Å; R299-L302 PolarHBondContact O-N 2.93Å; L302-I304 PolarHBondContact O-N 3.15Å; L302-H305 PolarHBondContact O-N 3.44Å; L302-D306 WeakPolarHBondContact O-CB 3.17Å; L302-D306 PolarHBondContact O-N 3.43Å |
| 303 | E | 90.9 | Very high | 87.9 | Confident | 43 Ų | 43 | 41.2 Ų | 41.2 | 20% | 0.201 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.1 | -42.2 | 176.5 | -77 | -169.1 | -147.7 | 0 | 0 | 112.8 | I286 R299 F300 Y301 V307 | I286-E303 HydrophobicContact CD1-CB 4.36Å; R299-E303 IonicContact CZ-OE1 3.73Å; R299-E303 VanDerWaalsContact CZ-OE1 3.3Å; R299-E303 IonicContact NE-OE1 3.59Å; R299-E303 PolarHBondContact NE-OE1 2.92Å; R299-E303 IonicContact NH2-OE1 2.72Å; R299-E303 PolarHBondContact NH2-OE1 3.03Å; R299-E303 PolarHBondContact O-N 3.06Å; F300-E303 PolarHBondContact O-N 3.42Å; Y301-E303 VanDerWaalsContact C-N 3.32Å; Y301-E303 PolarHBondContact O-N 3.25Å; E303-V307 WeakPolarHBondContact O-CG2 3.17Å; E303-V307 PolarHBondContact O-N 3.41Å |
| 304 | I | 92.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.6 | -49.9 | 174.4 | -69.6 | 170.4 | 0 | 0 | 0 | 109.9 | L283 I286 F300 Y301 L302 D306 V307 L308 V329 L362 | L283-I304 HydrophobicContact CD2-CG1 4.48Å; I286-I304 HydrophobicContact CD1-CG1 3.54Å; F300-I304 HydrophobicContact CD1-CD1 3.66Å; F300-I304 HydrophobicContact CE1-CD1 3.16Å; F300-I304 HydrophobicContact CE1-CG1 4.34Å; F300-I304 HydrophobicContact CE2-CD1 4.42Å; F300-I304 HydrophobicContact CG-CD1 4.46Å; F300-I304 HydrophobicContact CZ-CD1 3.6Å; F300-I304 WeakPolarHBondContact O-CG1 3.39Å; F300-I304 PolarHBondContact O-N 3.33Å; F300-I304 VanDerWaalsContact O-N 3.14Å; Y301-I304 PolarHBondContact O-N 3.3Å; L302-I304 PolarHBondContact O-N 3.15Å; I304-D306 VanDerWaalsContact C-N 3.31Å; I304-D306 PolarHBondContact O-N 3.43Å; I304-V307 PolarHBondContact O-N 3.47Å; I304-L308 HydrophobicContact CG2-CD1 3.52Å; I304-L308 HydrophobicContact CG2-CG 3.86Å; I304-L308 WeakPolarHBondContact O-CG 3.32Å; I304-L308 PolarHBondContact O-N 2.89Å; I304-V329 HydrophobicContact CD1-CG1 3.42Å; I304-V329 VanDerWaalsContact CD1-CG1 3.42Å; I304-V329 HydrophobicContact CG1-CG1 4.17Å; I304-L362 HydrophobicContact CD1-CD1 3.82Å |
| 305 | H | 89.4 | Confident | 87 | Confident | 46 Ų | 46 | 42.1 Ų | 42.1 | 21% | 0.213 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.8 | -47.8 | -177.7 | -177.4 | 75.7 | 0 | 0 | 0 | 111.5 | Y301 L302 V307 L308 N309 E359 | Y301-H305 HydrophobicContact CE2-CB 4.24Å; Y301-H305 VanDerWaalsContact O-CB 3.3Å; Y301-H305 WeakPolarHBondContact O-CB 3.34Å; Y301-H305 PolarHBondContact O-N 2.83Å; L302-H305 PolarHBondContact O-N 3.44Å; H305-V307 VanDerWaalsContact C-N 3.3Å; H305-V307 PolarHBondContact O-N 2.84Å; H305-L308 PolarHBondContact O-N 2.66Å; H305-N309 PolarHBondContact CD2-ND2 3.19Å; H305-N309 PolarHBondContact NE2-ND2 3.39Å; H305-N309 WeakPolarHBondContact O-CB 3.23Å; H305-N309 PolarHBondContact O-N 2.82Å; H305-N309 PolarHBondContact O-ND2 3.42Å; H305-N309 PolarHBondContact O-OD1 2.84Å; H305-E359 WeakPolarHBondContact CA-OE1 3.15Å; H305-E359 IonicContact CE1-OE1 3.07Å; H305-E359 IonicContact CG-OE1 3.93Å; H305-E359 IonicContact ND1-OE1 3.74Å; H305-E359 PolarHBondContact ND1-OE1 3.28Å |
| 306 | D | 84.8 | Confident | 86.7 | Confident | 78 Ų | 78 | 39.3 Ų | 39.3 | 42% | 0.417 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 176.6 | -75.9 | -13.3 | 0 | 0 | 0 | 112.5 | L302 I304 V310 | L302-D306 WeakPolarHBondContact O-CB 3.17Å; L302-D306 PolarHBondContact O-N 3.43Å; I304-D306 VanDerWaalsContact C-N 3.31Å; I304-D306 PolarHBondContact O-N 3.43Å; D306-V310 WeakPolarHBondContact O-CG2 3.3Å; D306-V310 PolarHBondContact O-N 3.3Å |
| 307 | V | 87.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.5 | -42.3 | 179.5 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | F204 C279 K282 L283 E303 I304 H305 N309 V310 L311 | F204-V307 HydrophobicContact CE1-CB 4.21Å; F204-V307 HydrophobicContact CE1-CG1 4.3Å; F204-V307 HydrophobicContact CE1-CG2 3.75Å; F204-V307 HydrophobicContact CZ-CG1 4.5Å; F204-V307 HydrophobicContact CZ-CG2 3.96Å; C279-V307 HydrophobicContact CB-CG1 3.62Å; K282-V307 HydrophobicContact CB-CG2 4.05Å; K282-V307 HydrophobicContact CD-CG2 3.52Å; K282-V307 HydrophobicContact CG-CG2 3.73Å; L283-V307 HydrophobicContact CD1-CG1 4.01Å; L283-V307 HydrophobicContact CD2-CB 4.02Å; L283-V307 HydrophobicContact CD2-CG1 3.99Å; L283-V307 HydrophobicContact CD2-CG2 4.48Å; L283-V307 HydrophobicContact CG-CB 4.27Å; L283-V307 HydrophobicContact CG-CG1 3.7Å; E303-V307 WeakPolarHBondContact O-CG2 3.17Å; E303-V307 PolarHBondContact O-N 3.41Å; I304-V307 PolarHBondContact O-N 3.47Å; H305-V307 VanDerWaalsContact C-N 3.3Å; H305-V307 PolarHBondContact O-N 2.84Å; V307-N309 VanDerWaalsContact C-N 3.33Å; V307-V310 PolarHBondContact O-N 3.47Å; V307-L311 PolarHBondContact O-N 3.28Å; V307-L311 VanDerWaalsContact O-N 3.12Å |
| 308 | L | 89.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.1 | -33.8 | 178.7 | -62.9 | -175.3 | 0 | 0 | 0 | 111.8 | I304 H305 V310 L311 R312 L320 I355 E359 | I304-L308 HydrophobicContact CG2-CD1 3.52Å; I304-L308 HydrophobicContact CG2-CG 3.86Å; I304-L308 WeakPolarHBondContact O-CG 3.32Å; I304-L308 PolarHBondContact O-N 2.89Å; H305-L308 PolarHBondContact O-N 2.66Å; L308-V310 VanDerWaalsContact C-N 3.34Å; L308-V310 PolarHBondContact O-N 2.85Å; L308-L311 HydrophobicContact CD2-CD1 4.28Å; L308-L311 PolarHBondContact O-N 2.86Å; L308-R312 WeakPolarHBondContact O-CB 3.02Å; L308-R312 WeakPolarHBondContact O-CG 3.11Å; L308-R312 PolarHBondContact O-N 3.32Å; L308-L320 HydrophobicContact CB-CD2 4.42Å; L308-L320 HydrophobicContact CD2-CD2 3.63Å; L308-I355 HydrophobicContact CD1-CG1 4.17Å; L308-I355 HydrophobicContact CD1-CG2 4.15Å; L308-I355 HydrophobicContact CD2-CD1 3.97Å; L308-I355 HydrophobicContact CD2-CG1 4.17Å; L308-I355 HydrophobicContact CD2-CG2 3.58Å; L308-E359 HydrophobicContact CD1-CB 3.72Å; L308-E359 HydrophobicContact CD1-CG 4.1Å; L308-E359 VanDerWaalsContact CD1-OE2 3.24Å; L308-E359 WeakPolarHBondContact CD1-OE2 3.5Å |
| 309 | N | 82.7 | Confident | 86.2 | Confident | 37 Ų | 37 | 46.3 Ų | 46.3 | 20% | 0.198 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.2 | -45.8 | 171.4 | -74.8 | -15.4 | 0 | 0 | 0 | 111.1 | H305 V307 L311 R312 A313 | H305-N309 PolarHBondContact CD2-ND2 3.19Å; H305-N309 PolarHBondContact NE2-ND2 3.39Å; H305-N309 WeakPolarHBondContact O-CB 3.23Å; H305-N309 PolarHBondContact O-N 2.82Å; H305-N309 PolarHBondContact O-ND2 3.42Å; H305-N309 PolarHBondContact O-OD1 2.84Å; V307-N309 VanDerWaalsContact C-N 3.33Å; N309-L311 VanDerWaalsContact C-N 3.35Å; N309-L311 PolarHBondContact O-N 3.15Å; N309-R312 PolarHBondContact O-N 2.78Å; N309-R312 VanDerWaalsContact OD1-CZ 3.29Å; N309-R312 PolarHBondContact OD1-NH1 3.45Å; N309-R312 PolarHBondContact OD1-NH2 3.24Å; N309-A313 WeakPolarHBondContact O-CB 3.4Å; N309-A313 PolarHBondContact O-N 3.04Å |
| 310 | V | 80.3 | Confident | 86 | Confident | 20 Ų | 20 | 42.5 Ų | 42.5 | 12% | 0.121 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 176.5 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | F204 I275 D306 V307 L308 R314 | F204-V310 HydrophobicContact CD1-CB 4.47Å; F204-V310 HydrophobicContact CD1-CG2 3.59Å; F204-V310 HydrophobicContact CE1-CB 4.24Å; F204-V310 HydrophobicContact CE1-CG2 3.85Å; I275-V310 HydrophobicContact CG2-CG1 3.93Å; D306-V310 WeakPolarHBondContact O-CG2 3.3Å; D306-V310 PolarHBondContact O-N 3.3Å; V307-V310 PolarHBondContact O-N 3.47Å; L308-V310 VanDerWaalsContact C-N 3.34Å; L308-V310 PolarHBondContact O-N 2.85Å; V310-R314 WeakPolarHBondContact O-CD 3.11Å; V310-R314 VanDerWaalsContact O-CG 3.26Å; V310-R314 WeakPolarHBondContact O-CG 3.47Å |
| 311 | L | 85.2 | Confident | 85.9 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.8 | -38.6 | 177 | -69.7 | 175.2 | 0 | 0 | 0 | 112.5 | C279 L283 V307 L308 N309 R314 D315 R316 E319 L320 | C279-L311 HydrophobicContact CB-CD1 4.3Å; C279-L311 HydrophobicContact CB-CD2 3.84Å; C279-L311 HydrophobicContact CB-CG 4.05Å; L283-L311 HydrophobicContact CD1-CD1 4.49Å; V307-L311 PolarHBondContact O-N 3.28Å; V307-L311 VanDerWaalsContact O-N 3.12Å; L308-L311 HydrophobicContact CD2-CD1 4.28Å; L308-L311 PolarHBondContact O-N 2.86Å; N309-L311 VanDerWaalsContact C-N 3.35Å; N309-L311 PolarHBondContact O-N 3.15Å; L311-R314 CarbonylContact O-C 3.58Å; L311-R314 PolarHBondContact O-N 3.23Å; L311-D315 PolarHBondContact O-N 2.99Å; L311-R316 HydrophobicContact CB-CB 4.4Å; L311-R316 HydrophobicContact CD2-CB 4.09Å; L311-R316 HydrophobicContact CD2-CG 4.35Å; L311-R316 PolarHBondContact O-N 2.94Å; L311-E319 HydrophobicContact CD1-CB 4.28Å; L311-E319 HydrophobicContact CD2-CB 4.42Å; L311-L320 HydrophobicContact CB-CD2 3.87Å; L311-L320 HydrophobicContact CB-CG 4.23Å; L311-L320 HydrophobicContact CD1-CD2 4.12Å |
| 312 | R | 84.1 | Confident | 85.9 | Confident | 62 Ų | 62 | 49.7 Ų | 49.7 | 23% | 0.234 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.3 | -45.6 | 177.5 | -81.4 | -171 | -109.4 | 110.7 | 10.3 | 111.9 | L308 N309 R314 D315 L320 E359 | L308-R312 WeakPolarHBondContact O-CB 3.02Å; L308-R312 WeakPolarHBondContact O-CG 3.11Å; L308-R312 PolarHBondContact O-N 3.32Å; N309-R312 PolarHBondContact O-N 2.78Å; N309-R312 VanDerWaalsContact OD1-CZ 3.29Å; N309-R312 PolarHBondContact OD1-NH1 3.45Å; N309-R312 PolarHBondContact OD1-NH2 3.24Å; R312-R314 PolarHBondContact O-N 3.49Å; R312-D315 PolarHBondContact O-N 2.66Å; R312-L320 HydrophobicContact CG-CD1 3.65Å; R312-E359 IonicContact CZ-OE1 3.43Å; R312-E359 IonicContact CZ-OE2 2.77Å; R312-E359 IonicContact NE-OE2 3.66Å; R312-E359 IonicContact NH2-OE1 2.65Å; R312-E359 PolarHBondContact NH2-OE1 3.33Å; R312-E359 IonicContact NH2-OE2 2.74Å; R312-E359 PolarHBondContact NH2-OE2 3.01Å |
| 313 | A | 72.7 | Confident | 86.1 | Confident | 49 Ų | 49 | 49.3 Ų | 49.3 | 41% | 0.405 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | N309 | N309-A313 WeakPolarHBondContact O-CB 3.4Å; N309-A313 PolarHBondContact O-N 3.04Å |
| 314 | R | 73.7 | Confident | 86.2 | Confident | 35 Ų | 35 | 56.1 Ų | 56.1 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 9.6 | -178.3 | -66.2 | 168.3 | -175.8 | -87.5 | -15 | 113.8 | N243 V310 L311 R312 R316 | N243-R314 PolarHBondContact ND2-NH1 2.91Å; N243-R314 PolarHBondContact OD1-NH1 2.63Å; V310-R314 WeakPolarHBondContact O-CD 3.11Å; V310-R314 VanDerWaalsContact O-CG 3.26Å; V310-R314 WeakPolarHBondContact O-CG 3.47Å; L311-R314 CarbonylContact O-C 3.58Å; L311-R314 PolarHBondContact O-N 3.23Å; R312-R314 PolarHBondContact O-N 3.49Å; R314-R316 HydrophobicContact CB-CG 3.85Å; R314-R316 PolarHBondContact O-N 3.24Å; R314-R316 PolarHBondContact O-NE 2.64Å |
| 315 | D | 78.4 | Confident | 86.2 | Confident | 129 Ų | 129 | 56.6 Ų | 56.6 | 69% | 0.69 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 36.6 | -178.4 | -159.1 | 26.2 | 0 | 0 | 0 | 113.6 | L311 R312 V317 | L311-D315 PolarHBondContact O-N 2.99Å; R312-D315 PolarHBondContact O-N 2.66Å; D315-V317 PolarHBondContact O-N 3.04Å; D315-V317 WeakPolarHBondContact OD1-CG2 3.37Å |
| 316 | R | 83.5 | Confident | 86.5 | Confident | 79 Ų | 79 | 55 Ų | 55 | 30% | 0.298 | 29% | 0.286 | S | S | . | . | trans | -84.4 | 61.2 | -178.8 | -57.8 | -58.8 | 156.4 | 179.7 | -7.5 | 112.1 | I272 I276 L311 R314 V318 E319 L320 | I272-R316 VanDerWaalsContact CG2-NH2 3.28Å; I276-R316 HydrophobicContact CD1-CG 4.2Å; I276-R316 HydrophobicContact CG1-CG 4.16Å; L311-R316 HydrophobicContact CB-CB 4.4Å; L311-R316 HydrophobicContact CD2-CB 4.09Å; L311-R316 HydrophobicContact CD2-CG 4.35Å; L311-R316 PolarHBondContact O-N 2.94Å; R314-R316 HydrophobicContact CB-CG 3.85Å; R314-R316 PolarHBondContact O-N 3.24Å; R314-R316 PolarHBondContact O-NE 2.64Å; R316-V318 PolarHBondContact O-N 3.01Å; R316-E319 HydrophobicContact CB-CB 4.37Å; R316-E319 HydrophobicContact CB-CG 4.22Å; R316-E319 PolarHBondContact O-N 2.69Å; R316-L320 VanDerWaalsContact O-CG 3.3Å; R316-L320 WeakPolarHBondContact O-CG 3.21Å; R316-L320 PolarHBondContact O-N 2.73Å; R316-L320 VanDerWaalsContact O-N 3.17Å | ||
| 317 | V | 86.4 | Confident | 86.9 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 32% | 0.321 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.1 | -35.1 | -178.1 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | D315 L320 K321 | D315-V317 PolarHBondContact O-N 3.04Å; D315-V317 WeakPolarHBondContact OD1-CG2 3.37Å; V317-L320 PolarHBondContact O-N 3.12Å; V317-K321 HydrophobicContact CG1-CD 3.83Å; V317-K321 HydrophobicContact CG1-CG 4.23Å; V317-K321 WeakPolarHBondContact O-CB 3.42Å; V317-K321 WeakPolarHBondContact O-CG 3.16Å; V317-K321 PolarHBondContact O-N 2.85Å |
| 318 | V | 89.8 | Confident | 87.2 | Confident | 120 Ų | 120 | 58 Ų | 58 | 73% | 0.727 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.3 | -49.5 | 178.7 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | R316 L320 K321 S322 | R316-V318 PolarHBondContact O-N 3.01Å; V318-L320 VanDerWaalsContact C-N 3.3Å; V318-L320 PolarHBondContact O-N 3.01Å; V318-K321 CarbonylContact O-C 3.57Å; V318-K321 PolarHBondContact O-N 3.45Å; V318-K321 VanDerWaalsContact O-N 3.15Å; V318-S322 PolarHBondContact O-N 3.35Å; V318-S322 VanDerWaalsContact O-N 3.09Å |
| 319 | E | 88.7 | Confident | 87.5 | Confident | 46 Ų | 46 | 58 Ų | 58 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65 | -36.6 | 179.1 | -57.1 | -57.5 | 157.8 | 0 | 0 | 111.7 | I276 L311 R316 K321 S322 | I276-E319 HydrophobicContact CG2-CG 3.84Å; L311-E319 HydrophobicContact CD1-CB 4.28Å; L311-E319 HydrophobicContact CD2-CB 4.42Å; R316-E319 HydrophobicContact CB-CB 4.37Å; R316-E319 HydrophobicContact CB-CG 4.22Å; R316-E319 PolarHBondContact O-N 2.69Å; E319-K321 VanDerWaalsContact C-N 3.27Å; E319-K321 PolarHBondContact O-N 2.77Å; E319-S322 WeakPolarHBondContact O-CB 3.28Å; E319-S322 PolarHBondContact O-N 2.91Å |
| 320 | L | 89.7 | Confident | 88.1 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71 | -21 | 177.5 | -63.3 | 170.7 | 0 | 0 | 0 | 113.2 | L308 L311 R312 R316 V317 V318 I355 | L308-L320 HydrophobicContact CB-CD2 4.42Å; L308-L320 HydrophobicContact CD2-CD2 3.63Å; L311-L320 HydrophobicContact CB-CD2 3.87Å; L311-L320 HydrophobicContact CB-CG 4.23Å; L311-L320 HydrophobicContact CD1-CD2 4.12Å; R312-L320 HydrophobicContact CG-CD1 3.65Å; R316-L320 VanDerWaalsContact O-CG 3.3Å; R316-L320 WeakPolarHBondContact O-CG 3.21Å; R316-L320 PolarHBondContact O-N 2.73Å; R316-L320 VanDerWaalsContact O-N 3.17Å; V317-L320 PolarHBondContact O-N 3.12Å; V318-L320 VanDerWaalsContact C-N 3.3Å; V318-L320 PolarHBondContact O-N 3.01Å; L320-I355 HydrophobicContact CD2-CG2 4.23Å; L320-I355 WeakPolarHBondContact O-CG2 3.33Å |
| 321 | K | 92.3 | Very high | 88.8 | Confident | 138 Ų | 138 | 61 Ų | 61 | 60% | 0.6 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 0.7 | 176.7 | -69.6 | -176.5 | 178.2 | -178.6 | 0 | 113 | V317 V318 E319 A323 T354 | V317-K321 HydrophobicContact CG1-CD 3.83Å; V317-K321 HydrophobicContact CG1-CG 4.23Å; V317-K321 WeakPolarHBondContact O-CB 3.42Å; V317-K321 WeakPolarHBondContact O-CG 3.16Å; V317-K321 PolarHBondContact O-N 2.85Å; V318-K321 CarbonylContact O-C 3.57Å; V318-K321 PolarHBondContact O-N 3.45Å; V318-K321 VanDerWaalsContact O-N 3.15Å; E319-K321 VanDerWaalsContact C-N 3.27Å; E319-K321 PolarHBondContact O-N 2.77Å; K321-A323 PolarHBondContact O-N 2.74Å; K321-A323 VanDerWaalsContact O-N 3.17Å; K321-T354 HydrophobicContact CG-CG2 4.2Å |
| 322 | S | 92.6 | Very high | 89.3 | Confident | 33 Ų | 33 | 63.2 Ų | 63.2 | 23% | 0.231 | 33% | 0.326 | C | S | . | . | trans | -66.8 | 113.7 | -178.1 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | V318 E319 Y324 T325 L326 | V318-S322 PolarHBondContact O-N 3.35Å; V318-S322 VanDerWaalsContact O-N 3.09Å; E319-S322 WeakPolarHBondContact O-CB 3.28Å; E319-S322 PolarHBondContact O-N 2.91Å; S322-Y324 PolarHBondContact O-N 2.75Å; S322-T325 VanDerWaalsContact CB-OG1 3.32Å; S322-T325 WeakPolarHBondContact CB-OG1 3.14Å; S322-T325 PolarHBondContact O-N 2.67Å; S322-T325 PolarHBondContact OG-N 2.99Å; S322-T325 PolarHBondContact OG-OG1 3.46Å; S322-T325 VanDerWaalsContact OG-OG1 3.05Å; S322-L326 PolarHBondContact O-N 3.13Å | ||
| 323 | A | 93.2 | Very high | 89.8 | Confident | 64 Ų | 64 | 60.6 Ų | 60.6 | 53% | 0.529 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.8 | -33.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | K321 L326 H327 | K321-A323 PolarHBondContact O-N 2.74Å; K321-A323 VanDerWaalsContact O-N 3.17Å; A323-L326 PolarHBondContact O-N 3.42Å; A323-H327 WeakPolarHBondContact O-CB 3.1Å; A323-H327 PolarHBondContact O-N 2.65Å |
| 324 | Y | 93 | Very high | 90.8 | Very high | 187 Ų | 187 | 59.4 Ų | 59.4 | 73% | 0.733 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.5 | -46.6 | 175.7 | 178.6 | -94.6 | 0 | 0 | 0 | 111.5 | S322 L326 H327 A328 | S322-Y324 PolarHBondContact O-N 2.75Å; Y324-L326 VanDerWaalsContact C-N 3.34Å; Y324-L326 PolarHBondContact O-N 3.43Å; Y324-H327 PolarHBondContact O-N 3.07Å; Y324-A328 WeakPolarHBondContact O-CB 3.49Å; Y324-A328 PolarHBondContact O-N 3.3Å |
| 325 | T | 92.4 | Very high | 91.8 | Very high | 10 Ų | 10 | 66.3 Ų | 66.3 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 178.6 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | L280 L283 S322 A328 V329 I355 | L280-T325 HydrophobicContact CD2-CG2 4.12Å; L283-T325 HydrophobicContact CD1-CG2 3.63Å; S322-T325 VanDerWaalsContact CB-OG1 3.32Å; S322-T325 WeakPolarHBondContact CB-OG1 3.14Å; S322-T325 PolarHBondContact O-N 2.67Å; S322-T325 PolarHBondContact OG-N 2.99Å; S322-T325 PolarHBondContact OG-OG1 3.46Å; S322-T325 VanDerWaalsContact OG-OG1 3.05Å; T325-A328 PolarHBondContact O-N 3.02Å; T325-V329 WeakPolarHBondContact O-CG2 3.36Å; T325-V329 PolarHBondContact O-N 2.76Å; T325-V329 VanDerWaalsContact O-N 3.15Å; T325-I355 HydrophobicContact CG2-CD1 3.91Å |
| 326 | L | 95.4 | Very high | 92.5 | Very high | 13 Ų | 13 | 65.6 Ų | 65.6 | 7% | 0.068 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.6 | -51.3 | 172.9 | 171.7 | 62.9 | 0 | 0 | 0 | 111.1 | S322 A323 Y324 A328 V329 V330 W341 P353 L358 | S322-L326 PolarHBondContact O-N 3.13Å; A323-L326 PolarHBondContact O-N 3.42Å; Y324-L326 VanDerWaalsContact C-N 3.34Å; Y324-L326 PolarHBondContact O-N 3.43Å; L326-A328 PolarHBondContact O-N 3.17Å; L326-V329 PolarHBondContact O-N 3.35Å; L326-V330 HydrophobicContact CD1-CG2 3.74Å; L326-V330 HydrophobicContact CG-CG2 4.21Å; L326-V330 VanDerWaalsContact O-CG2 3.26Å; L326-V330 WeakPolarHBondContact O-CG2 3.49Å; L326-V330 PolarHBondContact O-N 3.32Å; L326-W341 HydrophobicContact CD1-CZ2 3.93Å; L326-W341 HydrophobicContact CD2-CZ2 4.32Å; L326-P353 HydrophobicContact CD2-CB 4.02Å; L326-P353 HydrophobicContact CD2-CG 3.96Å; L326-P353 VanDerWaalsContact CD2-O 3.28Å; L326-P353 WeakPolarHBondContact CD2-O 3.43Å; L326-L358 HydrophobicContact CD1-CB 3.8Å; L326-L358 HydrophobicContact CD1-CD2 3.92Å; L326-L358 HydrophobicContact CD1-CG 4.39Å |
| 327 | H | 94.4 | Very high | 93 | Very high | 113 Ų | 113 | 62.4 Ų | 62.4 | 52% | 0.523 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.4 | -45.6 | -178.7 | -175.2 | 67.6 | 0 | 0 | 0 | 111.9 | A323 Y324 V329 V330 L331 | A323-H327 WeakPolarHBondContact O-CB 3.1Å; A323-H327 PolarHBondContact O-N 2.65Å; Y324-H327 PolarHBondContact O-N 3.07Å; H327-V329 VanDerWaalsContact C-N 3.27Å; H327-V329 PolarHBondContact O-N 2.79Å; H327-V330 PolarHBondContact O-N 3.26Å; H327-L331 WeakPolarHBondContact O-CG 3.3Å; H327-L331 PolarHBondContact O-N 3Å; H327-L331 VanDerWaalsContact O-N 3.1Å |
| 328 | A | 93.8 | Very high | 93.5 | Very high | 26 Ų | 26 | 62.6 Ų | 62.6 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.7 | -37.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y324 T325 L326 | Y324-A328 WeakPolarHBondContact O-CB 3.49Å; Y324-A328 PolarHBondContact O-N 3.3Å; T325-A328 PolarHBondContact O-N 3.02Å; L326-A328 PolarHBondContact O-N 3.17Å |
| 329 | V | 95.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -77.4 | -39.4 | 178 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | L283 F300 I304 T325 L326 H327 L331 K332 I355 L358 | L283-V329 HydrophobicContact CB-CG2 4.14Å; L283-V329 HydrophobicContact CD2-CG2 4.23Å; F300-V329 HydrophobicContact CE1-CG1 4.32Å; F300-V329 HydrophobicContact CZ-CG1 3.9Å; I304-V329 HydrophobicContact CD1-CG1 3.42Å; I304-V329 VanDerWaalsContact CD1-CG1 3.42Å; I304-V329 HydrophobicContact CG1-CG1 4.17Å; T325-V329 WeakPolarHBondContact O-CG2 3.36Å; T325-V329 PolarHBondContact O-N 2.76Å; T325-V329 VanDerWaalsContact O-N 3.15Å; L326-V329 PolarHBondContact O-N 3.35Å; H327-V329 VanDerWaalsContact C-N 3.27Å; H327-V329 PolarHBondContact O-N 2.79Å; V329-L331 PolarHBondContact O-N 2.58Å; V329-K332 VanDerWaalsContact O-CB 3.26Å; V329-K332 WeakPolarHBondContact O-CB 3.28Å; V329-K332 PolarHBondContact O-N 2.73Å; V329-I355 HydrophobicContact CB-CD1 4.46Å; V329-I355 HydrophobicContact CG2-CD1 3.91Å; V329-L358 HydrophobicContact CB-CD2 4.3Å; V329-L358 HydrophobicContact CG1-CD2 3.68Å |
| 330 | V | 95.7 | Very high | 94 | Very high | 17 Ų | 17 | 66.3 Ų | 66.3 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60 | -35.7 | 177 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | L326 H327 K332 L333 Q338 L358 | L326-V330 HydrophobicContact CD1-CG2 3.74Å; L326-V330 HydrophobicContact CG-CG2 4.21Å; L326-V330 VanDerWaalsContact O-CG2 3.26Å; L326-V330 WeakPolarHBondContact O-CG2 3.49Å; L326-V330 PolarHBondContact O-N 3.32Å; H327-V330 PolarHBondContact O-N 3.26Å; V330-K332 PolarHBondContact O-N 2.79Å; V330-K332 VanDerWaalsContact O-N 3.15Å; V330-L333 HydrophobicContact CG1-CD1 4.49Å; V330-L333 VanDerWaalsContact O-CB 3.29Å; V330-L333 WeakPolarHBondContact O-CB 3.26Å; V330-L333 PolarHBondContact O-N 3.05Å; V330-Q338 HydrophobicContact CG1-CG 4.29Å; V330-Q338 PolarHBondContact O-NE2 2.97Å; V330-L358 HydrophobicContact CG2-CD1 4.36Å; V330-L358 HydrophobicContact CG2-CD2 4.05Å |
| 331 | L | 95.2 | Very high | 94.3 | Very high | 102 Ų | 102 | 66.8 Ų | 66.8 | 53% | 0.534 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -17.6 | 175.6 | -70.4 | 176.3 | 0 | 0 | 0 | 113.7 | H327 V329 | H327-L331 WeakPolarHBondContact O-CG 3.3Å; H327-L331 PolarHBondContact O-N 3Å; H327-L331 VanDerWaalsContact O-N 3.1Å; V329-L331 PolarHBondContact O-N 2.58Å |
| 332 | K | 94.7 | Very high | 94.4 | Very high | 48 Ų | 48 | 63 Ų | 63 | 21% | 0.209 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -13.6 | 175 | -54.9 | -66.5 | -175.2 | 148.1 | 0 | 113 | S284 I286 P288 V289 F300 V329 V330 | S284-K332 WeakPolarHBondContact O-CE 3.32Å; S284-K332 PolarHBondContact O-NZ 3.49Å; I286-K332 WeakPolarHBondContact O-CD 3.49Å; I286-K332 PolarHBondContact O-NZ 3.16Å; I286-K332 VanDerWaalsContact O-NZ 3.15Å; P288-K332 CarbonylContact C-O 3.55Å; P288-K332 VanDerWaalsContact CA-O 3.28Å; P288-K332 WeakPolarHBondContact CA-O 3.25Å; P288-K332 HydrophobicContact CG-CD 4.04Å; V289-K332 PolarHBondContact N-O 3.31Å; F300-K332 HydrophobicContact CE2-CB 3.58Å; F300-K332 HydrophobicContact CE2-CG 4.46Å; F300-K332 HydrophobicContact CZ-CB 3.77Å; V329-K332 VanDerWaalsContact O-CB 3.26Å; V329-K332 WeakPolarHBondContact O-CB 3.28Å; V329-K332 PolarHBondContact O-N 2.73Å; V330-K332 PolarHBondContact O-N 2.79Å; V330-K332 VanDerWaalsContact O-N 3.15Å |
| 333 | L | 94.7 | Very high | 94.5 | Very high | 8 Ų | 8 | 68.7 Ų | 68.7 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -73.8 | 152.3 | 174.5 | -60.4 | 176.1 | 0 | 0 | 0 | 110.8 | V289 F300 V330 L337 Q338 L358 W361 L362 | V289-L333 HydrophobicContact CG2-CD2 4.11Å; F300-L333 HydrophobicContact CD1-CD2 3.98Å; F300-L333 HydrophobicContact CE1-CD2 3.41Å; F300-L333 VanDerWaalsContact CE1-CD2 3.41Å; F300-L333 HydrophobicContact CE1-CG 4.36Å; F300-L333 HydrophobicContact CZ-CD2 4.01Å; V330-L333 HydrophobicContact CG1-CD1 4.49Å; V330-L333 VanDerWaalsContact O-CB 3.29Å; V330-L333 WeakPolarHBondContact O-CB 3.26Å; V330-L333 PolarHBondContact O-N 3.05Å; L333-L337 HydrophobicContact CB-CB 3.99Å; L333-L337 HydrophobicContact CD1-CB 4.46Å; L333-L337 HydrophobicContact CD2-CD1 4.32Å; L333-Q338 HydrophobicContact CB-CG 3.85Å; L333-Q338 PolarHBondContact O-NE2 2.96Å; L333-L358 HydrophobicContact CD1-CD1 4.08Å; L333-W361 HydrophobicContact CD1-CH2 4.5Å; L333-W361 HydrophobicContact CD1-CZ3 4.05Å; L333-L362 HydrophobicContact CD2-CD2 4.23Å |
| 334 | T | 94.6 | Very high | 94.6 | Very high | 23 Ų | 23 | 70 Ų | 70 | 14% | 0.141 | 32% | 0.315 | C | S | . | . | trans | -62.1 | 152.9 | 168 | 64.4 | 0 | 0 | 0 | 0 | 110.9 | V289 V291 H336 L337 Q338 | V289-T334 HydrophobicContact CB-CG2 4.18Å; V289-T334 HydrophobicContact CG1-CG2 4.15Å; V289-T334 WeakPolarHBondContact O-CG2 3.32Å; V291-T334 HydrophobicContact CG2-CG2 4.24Å; T334-H336 PolarHBondContact O-N 2.77Å; T334-H336 VanDerWaalsContact O-N 3.12Å; T334-L337 CarbonylContact O-C 3.46Å; T334-L337 WeakPolarHBondContact O-CA 3.43Å; T334-L337 PolarHBondContact O-N 2.51Å; T334-L337 WeakPolarHBondContact OG1-CG 3.36Å; T334-L337 PolarHBondContact OG1-N 2.96Å; T334-Q338 WeakPolarHBondContact O-CG 3.32Å; T334-Q338 PolarHBondContact O-N 2.82Å | ||
| 335 | Y | 93.7 | Very high | 94.7 | Very high | 180 Ų | 180 | 62.9 Ų | 62.9 | 71% | 0.706 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -52.7 | -37.2 | 178 | 178.9 | -107.1 | 0 | 0 | 0 | 113.5 | Q338 R339 | Y335-Q338 PolarHBondContact O-N 3.22Å; Y335-R339 PolarHBondContact O-N 3.15Å |
| 336 | H | 92.9 | Very high | 94.7 | Very high | 115 Ų | 115 | 69 Ų | 69 | 53% | 0.532 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 175.5 | -179.6 | 60.7 | 0 | 0 | 0 | 112.4 | T334 R339 K340 | T334-H336 PolarHBondContact O-N 2.77Å; T334-H336 VanDerWaalsContact O-N 3.12Å; H336-R339 PolarHBondContact O-N 3.04Å; H336-K340 WeakPolarHBondContact NE2-CE 3.27Å; H336-K340 PolarHBondContact O-N 3.29Å; H336-K340 VanDerWaalsContact O-N 3.09Å |
| 337 | L | 94.7 | Very high | 94.5 | Very high | 12 Ų | 12 | 74 Ų | 74 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 176.1 | -71.6 | 174.3 | 0 | 0 | 0 | 111.5 | V289 V297 L333 T334 R339 K340 W341 W361 I365 | V289-L337 HydrophobicContact CG1-CD1 4.03Å; V297-L337 HydrophobicContact CG2-CD1 3.98Å; L333-L337 HydrophobicContact CB-CB 3.99Å; L333-L337 HydrophobicContact CD1-CB 4.46Å; L333-L337 HydrophobicContact CD2-CD1 4.32Å; T334-L337 CarbonylContact O-C 3.46Å; T334-L337 WeakPolarHBondContact O-CA 3.43Å; T334-L337 PolarHBondContact O-N 2.51Å; T334-L337 WeakPolarHBondContact OG1-CG 3.36Å; T334-L337 PolarHBondContact OG1-N 2.96Å; L337-R339 VanDerWaalsContact C-N 3.3Å; L337-R339 PolarHBondContact O-N 2.78Å; L337-K340 PolarHBondContact O-N 3.01Å; L337-W341 WeakPolarHBondContact O-CB 3.4Å; L337-W341 PolarHBondContact O-N 3.01Å; L337-W361 HydrophobicContact CB-CH2 4.22Å; L337-W361 HydrophobicContact CD2-CH2 4.11Å; L337-W361 WeakPolarHBondContact O-CH2 3.22Å; L337-I365 HydrophobicContact CD2-CD1 4.2Å |
| 338 | Q | 95.9 | Very high | 94.4 | Very high | 56 Ų | 56 | 70 Ų | 70 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 173.5 | -66.8 | 179 | 12.6 | 0 | 0 | 111.6 | V330 L333 T334 Y335 W341 A342 | V330-Q338 HydrophobicContact CG1-CG 4.29Å; V330-Q338 PolarHBondContact O-NE2 2.97Å; L333-Q338 HydrophobicContact CB-CG 3.85Å; L333-Q338 PolarHBondContact O-NE2 2.96Å; T334-Q338 WeakPolarHBondContact O-CG 3.32Å; T334-Q338 PolarHBondContact O-N 2.82Å; Y335-Q338 PolarHBondContact O-N 3.22Å; Q338-W341 PolarHBondContact O-N 2.91Å; Q338-A342 WeakPolarHBondContact O-CB 3.28Å; Q338-A342 PolarHBondContact O-N 2.97Å |
| 339 | R | 94.6 | Very high | 94.2 | Very high | 148 Ų | 148 | 75.8 Ų | 75.8 | 56% | 0.558 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.7 | -40.3 | 176.1 | -172.2 | 178.7 | -179.3 | -170.2 | 2 | 112.3 | Y335 H336 L337 A342 R343 | Y335-R339 PolarHBondContact O-N 3.15Å; H336-R339 PolarHBondContact O-N 3.04Å; L337-R339 VanDerWaalsContact C-N 3.3Å; L337-R339 PolarHBondContact O-N 2.78Å; R339-A342 PolarHBondContact O-N 3.36Å; R339-R343 PolarHBondContact O-N 3.38Å |
| 340 | K | 94.7 | Very high | 93.9 | Very high | 96 Ų | 96 | 82.5 Ų | 82.5 | 42% | 0.417 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 174.3 | -73.5 | -175.1 | 171.4 | -173.8 | 0 | 111.3 | H336 L337 A342 R343 R344 W361 | H336-K340 WeakPolarHBondContact NE2-CE 3.27Å; H336-K340 PolarHBondContact O-N 3.29Å; H336-K340 VanDerWaalsContact O-N 3.09Å; L337-K340 PolarHBondContact O-N 3.01Å; K340-A342 VanDerWaalsContact C-N 3.34Å; K340-A342 PolarHBondContact O-N 3.38Å; K340-R343 WeakPolarHBondContact O-CB 3.45Å; K340-R343 PolarHBondContact O-N 3.39Å; K340-R344 PolarHBondContact O-N 3.26Å; K340-R344 VanDerWaalsContact O-N 3.08Å; K340-W361 HydrophobicContact CB-CH2 4.46Å; K340-W361 HydrophobicContact CB-CZ2 3.71Å |
| 341 | W | 96.2 | Very high | 93.7 | Very high | 13 Ų | 13 | 88.4 Ų | 88.4 | 5% | 0.049 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 174.6 | 174.4 | -116.2 | 0 | 0 | 0 | 111.6 | L326 L337 Q338 R343 R344 V345 I348 P353 D357 L358 W361 | L326-W341 HydrophobicContact CD1-CZ2 3.93Å; L326-W341 HydrophobicContact CD2-CZ2 4.32Å; L337-W341 WeakPolarHBondContact O-CB 3.4Å; L337-W341 PolarHBondContact O-N 3.01Å; Q338-W341 PolarHBondContact O-N 2.91Å; W341-R343 VanDerWaalsContact C-N 3.26Å; W341-R343 PolarHBondContact O-N 3.41Å; W341-R344 HydrophobicContact CE3-CB 4.06Å; W341-R344 HydrophobicContact CE3-CG 4.19Å; W341-R344 HydrophobicContact CZ3-CB 4.33Å; W341-R344 HydrophobicContact CZ3-CG 3.98Å; W341-R344 CarbonylContact O-C 3.6Å; W341-R344 WeakPolarHBondContact O-CA 3.36Å; W341-R344 WeakPolarHBondContact O-CB 3.41Å; W341-R344 PolarHBondContact O-N 2.76Å; W341-V345 HydrophobicContact CD2-CG2 3.97Å; W341-V345 VanDerWaalsContact CE2-CG2 3.42Å; W341-V345 HydrophobicContact CG-CG2 4.36Å; W341-V345 HydrophobicContact CH2-CG2 4.29Å; W341-V345 HydrophobicContact CZ2-CG2 3.62Å; W341-V345 WeakPolarHBondContact O-CG2 3.3Å; W341-V345 PolarHBondContact O-N 3.14Å; W341-I348 HydrophobicContact CH2-CD1 4.31Å; W341-P353 HydrophobicContact CH2-CB 4.45Å; W341-P353 HydrophobicContact CZ2-CB 4.1Å; W341-D357 HydrophobicContact CH2-CB 3.97Å; W341-L358 HydrophobicContact CD2-CD1 3.72Å; W341-L358 HydrophobicContact CE3-CD1 3.75Å; W341-L358 HydrophobicContact CG-CD1 4.26Å; W341-L358 HydrophobicContact CH2-CB 3.85Å; W341-L358 HydrophobicContact CH2-CD1 4.29Å; W341-L358 HydrophobicContact CZ2-CB 4.06Å; W341-L358 HydrophobicContact CZ2-CD1 4.25Å; W341-L358 HydrophobicContact CZ3-CB 4.2Å; W341-L358 HydrophobicContact CZ3-CD1 4.05Å; W341-W361 HydrophobicContact CB-CH2 3.87Å; W341-W361 HydrophobicContact CB-CZ2 4.14Å; W341-W361 HydrophobicContact CB-CZ3 4.12Å; W341-W361 HydrophobicContact CD2-CE3 4.5Å; W341-W361 HydrophobicContact CE3-CB 4.22Å; W341-W361 AromaticContact CE3-CD2 3.7Å; W341-W361 HydrophobicContact CE3-CD2 3.7Å; W341-W361 AromaticContact CE3-CE3 3.73Å; W341-W361 HydrophobicContact CE3-CE3 3.73Å; W341-W361 AromaticContact CE3-CG 3.94Å; W341-W361 HydrophobicContact CE3-CG 3.94Å; W341-W361 HydrophobicContact CE3-CZ3 4.34Å; W341-W361 HydrophobicContact CZ3-CB 3.87Å; W341-W361 HydrophobicContact CZ3-CD2 4.27Å; W341-W361 HydrophobicContact CZ3-CE3 4.39Å; W341-W361 HydrophobicContact CZ3-CG 4.07Å |
| 342 | A | 94.9 | Very high | 93.5 | Very high | 59 Ų | 59 | 90.7 Ų | 90.7 | 49% | 0.488 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.2 | -36.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q338 R339 K340 V345 F346 | Q338-A342 WeakPolarHBondContact O-CB 3.28Å; Q338-A342 PolarHBondContact O-N 2.97Å; R339-A342 PolarHBondContact O-N 3.36Å; K340-A342 VanDerWaalsContact C-N 3.34Å; K340-A342 PolarHBondContact O-N 3.38Å; A342-V345 PolarHBondContact O-N 2.83Å; A342-F346 PolarHBondContact O-N 3.46Å; A342-F346 VanDerWaalsContact O-N 3.14Å |
| 343 | R | 95.3 | Very high | 93.5 | Very high | 152 Ų | 152 | 90 Ų | 90 | 57% | 0.574 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.7 | -43.9 | 171.7 | -61.8 | -179.1 | -163.7 | -149.1 | 3.9 | 111.2 | R339 K340 W341 V345 F346 E347 | R339-R343 PolarHBondContact O-N 3.38Å; K340-R343 WeakPolarHBondContact O-CB 3.45Å; K340-R343 PolarHBondContact O-N 3.39Å; W341-R343 VanDerWaalsContact C-N 3.26Å; W341-R343 PolarHBondContact O-N 3.41Å; R343-V345 VanDerWaalsContact C-N 3.32Å; R343-V345 PolarHBondContact O-N 2.69Å; R343-F346 VanDerWaalsContact O-CB 3.29Å; R343-F346 WeakPolarHBondContact O-CB 3.44Å; R343-F346 PolarHBondContact O-N 2.88Å; R343-F346 VanDerWaalsContact O-N 3.11Å; R343-E347 PolarHBondContact O-N 3.27Å |
| 344 | R | 94 | Very high | 93.5 | Very high | 90 Ų | 90 | 90.6 Ų | 90.6 | 34% | 0.34 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 176.3 | -173.7 | 57 | 170.3 | 175.8 | -1.2 | 112.3 | K340 W341 F346 E347 I348 W361 | K340-R344 PolarHBondContact O-N 3.26Å; K340-R344 VanDerWaalsContact O-N 3.08Å; W341-R344 HydrophobicContact CE3-CB 4.06Å; W341-R344 HydrophobicContact CE3-CG 4.19Å; W341-R344 HydrophobicContact CZ3-CB 4.33Å; W341-R344 HydrophobicContact CZ3-CG 3.98Å; W341-R344 CarbonylContact O-C 3.6Å; W341-R344 WeakPolarHBondContact O-CA 3.36Å; W341-R344 WeakPolarHBondContact O-CB 3.41Å; W341-R344 PolarHBondContact O-N 2.76Å; R344-F346 VanDerWaalsContact C-N 3.27Å; R344-F346 PolarHBondContact O-N 3.44Å; R344-E347 VanDerWaalsContact CD-OE2 3.25Å; R344-E347 WeakPolarHBondContact CD-OE2 3.46Å; R344-E347 IonicContact CZ-OE2 3.81Å; R344-E347 IonicContact NE-OE2 3.62Å; R344-E347 IonicContact NH1-OE2 2.63Å; R344-E347 PolarHBondContact NH1-OE2 3.38Å; R344-E347 WeakPolarHBondContact O-CB 3.34Å; R344-E347 PolarHBondContact O-N 3.43Å; R344-E347 VanDerWaalsContact O-N 3.13Å; R344-I348 HydrophobicContact CG-CD1 4.2Å; R344-I348 WeakPolarHBondContact O-CG1 3.41Å; R344-I348 PolarHBondContact O-N 3.34Å; R344-W361 HydrophobicContact CG-CB 4.4Å; R344-W361 HydrophobicContact CG-CG 4.1Å |
| 345 | V | 94.6 | Very high | 93.6 | Very high | 38 Ų | 38 | 89.5 Ų | 89.5 | 23% | 0.23 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.1 | -38.8 | 174.3 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | W341 A342 R343 E347 I348 P353 | W341-V345 HydrophobicContact CD2-CG2 3.97Å; W341-V345 VanDerWaalsContact CE2-CG2 3.42Å; W341-V345 HydrophobicContact CG-CG2 4.36Å; W341-V345 HydrophobicContact CH2-CG2 4.29Å; W341-V345 HydrophobicContact CZ2-CG2 3.62Å; W341-V345 WeakPolarHBondContact O-CG2 3.3Å; W341-V345 PolarHBondContact O-N 3.14Å; A342-V345 PolarHBondContact O-N 2.83Å; R343-V345 VanDerWaalsContact C-N 3.32Å; R343-V345 PolarHBondContact O-N 2.69Å; V345-E347 VanDerWaalsContact C-N 3.27Å; V345-E347 PolarHBondContact O-N 3.16Å; V345-I348 PolarHBondContact O-N 3.26Å; V345-P353 HydrophobicContact CG1-CG 3.94Å; V345-P353 HydrophobicContact CG2-CB 4.15Å; V345-P353 HydrophobicContact CG2-CG 4.13Å |
| 346 | F | 92.7 | Very high | 93.5 | Very high | 138 Ų | 138 | 84.6 Ų | 84.6 | 61% | 0.605 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.3 | -36.6 | 176 | -173 | -85.7 | 0 | 0 | 0 | 112.4 | A342 R343 R344 R349 | A342-F346 PolarHBondContact O-N 3.46Å; A342-F346 VanDerWaalsContact O-N 3.14Å; R343-F346 VanDerWaalsContact O-CB 3.29Å; R343-F346 WeakPolarHBondContact O-CB 3.44Å; R343-F346 PolarHBondContact O-N 2.88Å; R343-F346 VanDerWaalsContact O-N 3.11Å; R344-F346 VanDerWaalsContact C-N 3.27Å; R344-F346 PolarHBondContact O-N 3.44Å; F346-R349 PolarHBondContact O-NE 3.14Å |
| 347 | E | 93 | Very high | 93.7 | Very high | 120 Ų | 120 | 80 Ų | 80 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -72.5 | -27 | 177.4 | -63.4 | 166.6 | -171.2 | 0 | 0 | 113.5 | R343 R344 V345 R349 | R343-E347 PolarHBondContact O-N 3.27Å; R344-E347 VanDerWaalsContact CD-OE2 3.25Å; R344-E347 WeakPolarHBondContact CD-OE2 3.46Å; R344-E347 IonicContact CZ-OE2 3.81Å; R344-E347 IonicContact NE-OE2 3.62Å; R344-E347 IonicContact NH1-OE2 2.63Å; R344-E347 PolarHBondContact NH1-OE2 3.38Å; R344-E347 WeakPolarHBondContact O-CB 3.34Å; R344-E347 PolarHBondContact O-N 3.43Å; R344-E347 VanDerWaalsContact O-N 3.13Å; V345-E347 VanDerWaalsContact C-N 3.27Å; V345-E347 PolarHBondContact O-N 3.16Å; E347-R349 VanDerWaalsContact C-N 3.29Å; E347-R349 PolarHBondContact O-N 2.72Å |
| 348 | I | 92.2 | Very high | 93.8 | Very high | 29 Ų | 29 | 79.4 Ų | 79.4 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -76.2 | -17 | -179 | -68.2 | 164.5 | 0 | 0 | 0 | 112.4 | W341 R344 V345 R351 P353 D357 | W341-I348 HydrophobicContact CH2-CD1 4.31Å; R344-I348 HydrophobicContact CG-CD1 4.2Å; R344-I348 WeakPolarHBondContact O-CG1 3.41Å; R344-I348 PolarHBondContact O-N 3.34Å; V345-I348 PolarHBondContact O-N 3.26Å; I348-R351 HydrophobicContact CG2-CB 4.38Å; I348-R351 PolarHBondContact O-N 2.78Å; I348-P353 HydrophobicContact CD1-CB 4.33Å; I348-D357 HydrophobicContact CD1-CB 3.87Å |
| 349 | R | 87.6 | Confident | 93.7 | Very high | 147 Ų | 147 | 77.2 Ų | 77.2 | 56% | 0.555 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 144.2 | -177.9 | -68.4 | -171.8 | -58.1 | 147.7 | 10.7 | 111.4 | F346 E347 | F346-R349 PolarHBondContact O-NE 3.14Å; E347-R349 VanDerWaalsContact C-N 3.29Å; E347-R349 PolarHBondContact O-N 2.72Å |
| 350 | P | 90.2 | Very high | 93.7 | Very high | 141 Ų | 141 | 75.8 Ų | 75.8 | 92% | 0.916 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.2 | -0.7 | 16.5 | 34.2 | -36.9 | 0 | 0 | 0 | 115.6 | ||
| 351 | R | 92 | Very high | 93.8 | Very high | 141 Ų | 141 | 72.1 Ų | 72.1 | 53% | 0.532 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -75.4 | 147.1 | -178 | -164.2 | -171.9 | 74 | -164.3 | -0.5 | 111.3 | I348 D357 | I348-R351 HydrophobicContact CG2-CB 4.38Å; I348-R351 PolarHBondContact O-N 2.78Å; R351-D357 IonicContact CZ-OD1 3.46Å; R351-D357 IonicContact CZ-OD2 3.81Å; R351-D357 IonicContact NH2-OD1 2.73Å; R351-D357 PolarHBondContact NH2-OD1 3.3Å; R351-D357 IonicContact NH2-OD2 2.74Å; R351-D357 PolarHBondContact NH2-OD2 2.97Å |
| 352 | E | 91.2 | Very high | 93.8 | Very high | 150 Ų | 150 | 71.5 Ų | 71.5 | 70% | 0.701 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 134.4 | 168.7 | -67.9 | -178.1 | 173.8 | 0 | 0 | 110.9 | ||
| 353 | P | 94.4 | Very high | 93.7 | Very high | 33 Ų | 33 | 72.4 Ų | 72.4 | 21% | 0.214 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 143.7 | 174 | 31.8 | -36.4 | 0 | 0 | 0 | 110.3 | L326 W341 V345 I348 | L326-P353 HydrophobicContact CD2-CB 4.02Å; L326-P353 HydrophobicContact CD2-CG 3.96Å; L326-P353 VanDerWaalsContact CD2-O 3.28Å; L326-P353 WeakPolarHBondContact CD2-O 3.43Å; W341-P353 HydrophobicContact CH2-CB 4.45Å; W341-P353 HydrophobicContact CZ2-CB 4.1Å; V345-P353 HydrophobicContact CG1-CG 3.94Å; V345-P353 HydrophobicContact CG2-CB 4.15Å; V345-P353 HydrophobicContact CG2-CG 4.13Å; I348-P353 HydrophobicContact CD1-CB 4.33Å |
| 354 | T | 94.8 | Very high | 93.7 | Very high | 22 Ų | 22 | 70.1 Ų | 70.1 | 14% | 0.135 | 33% | 0.328 | C | S | . | . | trans | -117.5 | 168 | 179.2 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | K321 K356 D357 L358 | K321-T354 HydrophobicContact CG-CG2 4.2Å; T354-K356 PolarHBondContact O-N 3.08Å; T354-D357 PolarHBondContact N-OD2 2.94Å; T354-D357 WeakPolarHBondContact O-CB 3.14Å; T354-D357 PolarHBondContact O-N 3.41Å; T354-D357 PolarHBondContact OG1-N 3.12Å; T354-D357 PolarHBondContact OG1-OD2 3.19Å; T354-L358 PolarHBondContact O-N 2.91Å | ||
| 355 | I | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -24.6 | 175 | -160.6 | 165.7 | 0 | 0 | 0 | 112.3 | L283 L308 L320 T325 V329 D357 L358 E359 | L283-I355 HydrophobicContact CD1-CD1 4.11Å; L283-I355 HydrophobicContact CD2-CD1 4.22Å; L308-I355 HydrophobicContact CD1-CG1 4.17Å; L308-I355 HydrophobicContact CD1-CG2 4.15Å; L308-I355 HydrophobicContact CD2-CD1 3.97Å; L308-I355 HydrophobicContact CD2-CG1 4.17Å; L308-I355 HydrophobicContact CD2-CG2 3.58Å; L320-I355 HydrophobicContact CD2-CG2 4.23Å; L320-I355 WeakPolarHBondContact O-CG2 3.33Å; T325-I355 HydrophobicContact CG2-CD1 3.91Å; V329-I355 HydrophobicContact CB-CD1 4.46Å; V329-I355 HydrophobicContact CG2-CD1 3.91Å; I355-D357 VanDerWaalsContact C-N 3.32Å; I355-L358 PolarHBondContact O-N 2.75Å; I355-E359 PolarHBondContact O-N 2.99Å |
| 356 | K | 93.4 | Very high | 93.4 | Very high | 76 Ų | 76 | 65.3 Ų | 65.3 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 172.3 | -63.4 | -175.1 | 175.6 | -172.7 | 0 | 112 | T354 L358 E359 Q360 | T354-K356 PolarHBondContact O-N 3.08Å; K356-L358 VanDerWaalsContact C-N 3.31Å; K356-E359 WeakPolarHBondContact O-CB 3.45Å; K356-E359 PolarHBondContact O-N 3.22Å; K356-Q360 WeakPolarHBondContact O-CG 3.44Å; K356-Q360 PolarHBondContact O-N 3.33Å |
| 357 | D | 95.6 | Very high | 93.3 | Very high | 18 Ų | 18 | 62.8 Ų | 62.8 | 10% | 0.096 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.5 | -35.9 | 178.1 | -58.4 | -49 | 0 | 0 | 0 | 111 | W341 I348 R351 T354 I355 W361 | W341-D357 HydrophobicContact CH2-CB 3.97Å; I348-D357 HydrophobicContact CD1-CB 3.87Å; R351-D357 IonicContact CZ-OD1 3.46Å; R351-D357 IonicContact CZ-OD2 3.81Å; R351-D357 IonicContact NH2-OD1 2.73Å; R351-D357 PolarHBondContact NH2-OD1 3.3Å; R351-D357 IonicContact NH2-OD2 2.74Å; R351-D357 PolarHBondContact NH2-OD2 2.97Å; T354-D357 PolarHBondContact N-OD2 2.94Å; T354-D357 WeakPolarHBondContact O-CB 3.14Å; T354-D357 PolarHBondContact O-N 3.41Å; T354-D357 PolarHBondContact OG1-N 3.12Å; T354-D357 PolarHBondContact OG1-OD2 3.19Å; I355-D357 VanDerWaalsContact C-N 3.32Å; D357-W361 VanDerWaalsContact O-CB 3.26Å; D357-W361 WeakPolarHBondContact O-CB 3.14Å; D357-W361 PolarHBondContact O-N 3.21Å |
| 358 | L | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 173.3 | 179.5 | 68.7 | 0 | 0 | 0 | 111.2 | L326 V329 V330 L333 W341 T354 I355 K356 W361 L362 | L326-L358 HydrophobicContact CD1-CB 3.8Å; L326-L358 HydrophobicContact CD1-CD2 3.92Å; L326-L358 HydrophobicContact CD1-CG 4.39Å; V329-L358 HydrophobicContact CB-CD2 4.3Å; V329-L358 HydrophobicContact CG1-CD2 3.68Å; V330-L358 HydrophobicContact CG2-CD1 4.36Å; V330-L358 HydrophobicContact CG2-CD2 4.05Å; L333-L358 HydrophobicContact CD1-CD1 4.08Å; W341-L358 HydrophobicContact CD2-CD1 3.72Å; W341-L358 HydrophobicContact CE3-CD1 3.75Å; W341-L358 HydrophobicContact CG-CD1 4.26Å; W341-L358 HydrophobicContact CH2-CB 3.85Å; W341-L358 HydrophobicContact CH2-CD1 4.29Å; W341-L358 HydrophobicContact CZ2-CB 4.06Å; W341-L358 HydrophobicContact CZ2-CD1 4.25Å; W341-L358 HydrophobicContact CZ3-CB 4.2Å; W341-L358 HydrophobicContact CZ3-CD1 4.05Å; T354-L358 PolarHBondContact O-N 2.91Å; I355-L358 PolarHBondContact O-N 2.75Å; K356-L358 VanDerWaalsContact C-N 3.31Å; L358-W361 HydrophobicContact CD1-CE3 3.72Å; L358-W361 HydrophobicContact CD1-CZ3 3.93Å; L358-W361 PolarHBondContact O-N 3.03Å; L358-L362 HydrophobicContact CD1-CD1 4.45Å; L358-L362 HydrophobicContact CD1-CG 4.45Å; L358-L362 HydrophobicContact CG-CD1 4.11Å; L358-L362 WeakPolarHBondContact O-CB 3.4Å; L358-L362 WeakPolarHBondContact O-CG 3.13Å; L358-L362 PolarHBondContact O-N 3.17Å |
| 359 | E | 94.8 | Very high | 93 | Very high | 11 Ų | 11 | 61.5 Ų | 61.5 | 5% | 0.051 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.4 | -51.8 | 175.9 | 174.7 | -177.1 | -150.1 | 0 | 0 | 112 | Y301 H305 L308 R312 I355 K356 W361 L362 E363 | Y301-E359 HydrophobicContact CE2-CG 4.08Å; H305-E359 WeakPolarHBondContact CA-OE1 3.15Å; H305-E359 IonicContact CE1-OE1 3.07Å; H305-E359 IonicContact CG-OE1 3.93Å; H305-E359 IonicContact ND1-OE1 3.74Å; H305-E359 PolarHBondContact ND1-OE1 3.28Å; L308-E359 HydrophobicContact CD1-CB 3.72Å; L308-E359 HydrophobicContact CD1-CG 4.1Å; L308-E359 VanDerWaalsContact CD1-OE2 3.24Å; L308-E359 WeakPolarHBondContact CD1-OE2 3.5Å; R312-E359 IonicContact CZ-OE1 3.43Å; R312-E359 IonicContact CZ-OE2 2.77Å; R312-E359 IonicContact NE-OE2 3.66Å; R312-E359 IonicContact NH2-OE1 2.65Å; R312-E359 PolarHBondContact NH2-OE1 3.33Å; R312-E359 IonicContact NH2-OE2 2.74Å; R312-E359 PolarHBondContact NH2-OE2 3.01Å; I355-E359 PolarHBondContact O-N 2.99Å; K356-E359 WeakPolarHBondContact O-CB 3.45Å; K356-E359 PolarHBondContact O-N 3.22Å; E359-W361 VanDerWaalsContact C-N 3.28Å; E359-W361 PolarHBondContact O-N 3.06Å; E359-L362 PolarHBondContact O-N 2.82Å; E359-E363 WeakPolarHBondContact O-CB 3.24Å; E359-E363 PolarHBondContact O-N 3.27Å |
| 360 | Q | 95.1 | Very high | 93 | Very high | 117 Ų | 117 | 61.3 Ų | 61.3 | 55% | 0.547 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.2 | -37.4 | 178.5 | -73.6 | 179.3 | -17.9 | 0 | 0 | 112.3 | K356 Q364 | K356-Q360 WeakPolarHBondContact O-CG 3.44Å; K356-Q360 PolarHBondContact O-N 3.33Å; Q360-Q364 PolarHBondContact O-N 3.11Å |
| 361 | W | 96.5 | Very high | 92.7 | Very high | 20 Ų | 20 | 62.3 Ų | 62.3 | 8% | 0.076 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.9 | -40.2 | 176.5 | 172.2 | 75.5 | 0 | 0 | 0 | 112.3 | L333 L337 K340 W341 R344 D357 L358 E359 Q364 I365 | L333-W361 HydrophobicContact CD1-CH2 4.5Å; L333-W361 HydrophobicContact CD1-CZ3 4.05Å; L337-W361 HydrophobicContact CB-CH2 4.22Å; L337-W361 HydrophobicContact CD2-CH2 4.11Å; L337-W361 WeakPolarHBondContact O-CH2 3.22Å; K340-W361 HydrophobicContact CB-CH2 4.46Å; K340-W361 HydrophobicContact CB-CZ2 3.71Å; W341-W361 HydrophobicContact CB-CH2 3.87Å; W341-W361 HydrophobicContact CB-CZ2 4.14Å; W341-W361 HydrophobicContact CB-CZ3 4.12Å; W341-W361 HydrophobicContact CD2-CE3 4.5Å; W341-W361 HydrophobicContact CE3-CB 4.22Å; W341-W361 AromaticContact CE3-CD2 3.7Å; W341-W361 HydrophobicContact CE3-CD2 3.7Å; W341-W361 AromaticContact CE3-CE3 3.73Å; W341-W361 HydrophobicContact CE3-CE3 3.73Å; W341-W361 AromaticContact CE3-CG 3.94Å; W341-W361 HydrophobicContact CE3-CG 3.94Å; W341-W361 HydrophobicContact CE3-CZ3 4.34Å; W341-W361 HydrophobicContact CZ3-CB 3.87Å; W341-W361 HydrophobicContact CZ3-CD2 4.27Å; W341-W361 HydrophobicContact CZ3-CE3 4.39Å; W341-W361 HydrophobicContact CZ3-CG 4.07Å; R344-W361 HydrophobicContact CG-CB 4.4Å; R344-W361 HydrophobicContact CG-CG 4.1Å; D357-W361 VanDerWaalsContact O-CB 3.26Å; D357-W361 WeakPolarHBondContact O-CB 3.14Å; D357-W361 PolarHBondContact O-N 3.21Å; L358-W361 HydrophobicContact CD1-CE3 3.72Å; L358-W361 HydrophobicContact CD1-CZ3 3.93Å; L358-W361 PolarHBondContact O-N 3.03Å; E359-W361 VanDerWaalsContact C-N 3.28Å; E359-W361 PolarHBondContact O-N 3.06Å; W361-Q364 PolarHBondContact O-N 3.13Å; W361-I365 HydrophobicContact CD2-CD1 3.82Å; W361-I365 HydrophobicContact CE3-CD1 4.04Å; W361-I365 HydrophobicContact CH2-CD1 3.54Å; W361-I365 HydrophobicContact CZ2-CD1 3.26Å; W361-I365 HydrophobicContact CZ3-CD1 3.92Å; W361-I365 WeakPolarHBondContact O-CG1 3.48Å; W361-I365 PolarHBondContact O-N 3.03Å |
| 362 | L | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -42.5 | 173.4 | -75.2 | 171.7 | 0 | 0 | 0 | 111.3 | V297 F300 Y301 I304 L333 L358 E359 Q364 I365 V366 | V297-L362 HydrophobicContact CG1-CD2 4.29Å; F300-L362 HydrophobicContact CD1-CD1 3.94Å; F300-L362 HydrophobicContact CE1-CD1 3.94Å; Y301-L362 HydrophobicContact CD2-CB 3.8Å; Y301-L362 HydrophobicContact CG-CB 4.37Å; I304-L362 HydrophobicContact CD1-CD1 3.82Å; L333-L362 HydrophobicContact CD2-CD2 4.23Å; L358-L362 HydrophobicContact CD1-CD1 4.45Å; L358-L362 HydrophobicContact CD1-CG 4.45Å; L358-L362 HydrophobicContact CG-CD1 4.11Å; L358-L362 WeakPolarHBondContact O-CB 3.4Å; L358-L362 WeakPolarHBondContact O-CG 3.13Å; L358-L362 PolarHBondContact O-N 3.17Å; E359-L362 PolarHBondContact O-N 2.82Å; L362-Q364 VanDerWaalsContact C-N 3.32Å; L362-Q364 PolarHBondContact O-N 3.11Å; L362-I365 WeakPolarHBondContact O-CB 3.47Å; L362-I365 PolarHBondContact O-N 3.31Å; L362-I365 VanDerWaalsContact O-N 3.12Å; L362-V366 WeakPolarHBondContact O-CG2 3.16Å; L362-V366 PolarHBondContact O-N 2.96Å |
| 363 | E | 94 | Very high | 90.5 | Very high | 78 Ų | 78 | 59.8 Ų | 59.8 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.3 | -48.4 | 173.5 | -176.4 | 174.3 | -152.1 | 0 | 0 | 110.7 | Y301 E359 I365 V366 L367 | Y301-E363 HydrophobicContact CD2-CB 4.33Å; Y301-E363 HydrophobicContact CE2-CB 3.55Å; Y301-E363 HydrophobicContact CE2-CG 4.26Å; Y301-E363 WeakPolarHBondContact OH-CG 3.05Å; Y301-E363 PolarHBondContact OH-OE1 3.33Å; E359-E363 WeakPolarHBondContact O-CB 3.24Å; E359-E363 PolarHBondContact O-N 3.27Å; E363-I365 VanDerWaalsContact C-N 3.31Å; E363-I365 PolarHBondContact O-N 3.38Å; E363-V366 PolarHBondContact O-N 2.99Å; E363-L367 HydrophobicContact CG-CD1 3.93Å; E363-L367 HydrophobicContact CG-CG 4.31Å; E363-L367 WeakPolarHBondContact O-CB 3.41Å; E363-L367 VanDerWaalsContact O-CG 3.3Å; E363-L367 WeakPolarHBondContact O-CG 3.17Å; E363-L367 PolarHBondContact O-N 3.27Å |
| 364 | Q | 93.9 | Very high | 88.7 | Confident | 103 Ų | 103 | 63.4 Ų | 63.4 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.7 | -41.9 | 176.4 | -174.2 | -177.1 | -8.7 | 0 | 0 | 112 | Q360 W361 L362 T368 | Q360-Q364 PolarHBondContact O-N 3.11Å; W361-Q364 PolarHBondContact O-N 3.13Å; L362-Q364 VanDerWaalsContact C-N 3.32Å; L362-Q364 PolarHBondContact O-N 3.11Å; Q364-T368 VanDerWaalsContact O-CB 3.28Å; Q364-T368 WeakPolarHBondContact O-CB 3.48Å; Q364-T368 PolarHBondContact O-N 2.67Å; Q364-T368 PolarHBondContact O-OG1 3.41Å |
| 365 | I | 92.8 | Very high | 86.4 | Confident | 25 Ų | 25 | 68.3 Ų | 68.3 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 176.1 | -70 | 169.5 | 0 | 0 | 0 | 110.9 | V297 L337 W361 L362 E363 T368 N369 | V297-I365 HydrophobicContact CG1-CG2 4.04Å; L337-I365 HydrophobicContact CD2-CD1 4.2Å; W361-I365 HydrophobicContact CD2-CD1 3.82Å; W361-I365 HydrophobicContact CE3-CD1 4.04Å; W361-I365 HydrophobicContact CH2-CD1 3.54Å; W361-I365 HydrophobicContact CZ2-CD1 3.26Å; W361-I365 HydrophobicContact CZ3-CD1 3.92Å; W361-I365 WeakPolarHBondContact O-CG1 3.48Å; W361-I365 PolarHBondContact O-N 3.03Å; L362-I365 WeakPolarHBondContact O-CB 3.47Å; L362-I365 PolarHBondContact O-N 3.31Å; L362-I365 VanDerWaalsContact O-N 3.12Å; E363-I365 VanDerWaalsContact C-N 3.31Å; E363-I365 PolarHBondContact O-N 3.38Å; I365-T368 PolarHBondContact O-N 2.95Å; I365-N369 WeakPolarHBondContact O-CB 3.36Å; I365-N369 VanDerWaalsContact O-CG 3.26Å; I365-N369 PolarHBondContact O-N 2.83Å; I365-N369 PolarHBondContact O-OD1 2.79Å |
| 366 | V | 91 | Very high | 84 | Confident | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.018 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.5 | -46.4 | -179.7 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | V297 E298 Y301 L362 E363 T368 N369 R370 | V297-V366 HydrophobicContact CG1-CG2 4.27Å; E298-V366 HydrophobicContact CB-CG1 4.13Å; E298-V366 HydrophobicContact CB-CG2 4.14Å; E298-V366 HydrophobicContact CG-CG1 3.83Å; Y301-V366 HydrophobicContact CD1-CB 4.48Å; Y301-V366 HydrophobicContact CD1-CG2 4.09Å; Y301-V366 HydrophobicContact CG-CG2 4.12Å; L362-V366 WeakPolarHBondContact O-CG2 3.16Å; L362-V366 PolarHBondContact O-N 2.96Å; E363-V366 PolarHBondContact O-N 2.99Å; V366-T368 VanDerWaalsContact C-N 3.34Å; V366-T368 PolarHBondContact O-N 3.33Å; V366-N369 PolarHBondContact O-N 3.16Å; V366-R370 WeakPolarHBondContact O-CG 3.11Å; V366-R370 PolarHBondContact O-N 2.7Å |
| 367 | L | 90.7 | Very high | 81.4 | Confident | 84 Ų | 84 | 76 Ų | 76 | 44% | 0.44 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 176 | -68.4 | 176 | 0 | 0 | 0 | 111.3 | E363 R370 M371 | E363-L367 HydrophobicContact CG-CD1 3.93Å; E363-L367 HydrophobicContact CG-CG 4.31Å; E363-L367 WeakPolarHBondContact O-CB 3.41Å; E363-L367 VanDerWaalsContact O-CG 3.3Å; E363-L367 WeakPolarHBondContact O-CG 3.17Å; E363-L367 PolarHBondContact O-N 3.27Å; L367-R370 PolarHBondContact O-N 3.45Å; L367-M371 VanDerWaalsContact O-CG 3.3Å; L367-M371 WeakPolarHBondContact O-CG 3.26Å; L367-M371 PolarHBondContact O-N 2.89Å |
| 368 | T | 91.3 | Very high | 78.3 | Confident | 69 Ų | 69 | 80.5 Ų | 80.5 | 42% | 0.423 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 175.9 | -56.4 | 0 | 0 | 0 | 0 | 111 | Q364 I365 V366 R370 M371 V372 | Q364-T368 VanDerWaalsContact O-CB 3.28Å; Q364-T368 WeakPolarHBondContact O-CB 3.48Å; Q364-T368 PolarHBondContact O-N 2.67Å; Q364-T368 PolarHBondContact O-OG1 3.41Å; I365-T368 PolarHBondContact O-N 2.95Å; V366-T368 VanDerWaalsContact C-N 3.34Å; V366-T368 PolarHBondContact O-N 3.33Å; T368-R370 PolarHBondContact O-N 3.4Å; T368-M371 PolarHBondContact O-N 3.49Å; T368-V372 HydrophobicContact CG2-CG2 4.47Å; T368-V372 WeakPolarHBondContact O-CG2 3.36Å; T368-V372 PolarHBondContact O-N 2.95Å |
| 369 | N | 87.7 | Confident | 75.6 | Confident | 53 Ų | 53 | 91.3 Ų | 91.3 | 28% | 0.283 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.6 | -34.1 | 178.5 | -75.5 | -1.6 | 0 | 0 | 0 | 112.3 | D294 I365 V366 | D294-N369 HydrophobicContact CB-CB 4.5Å; D294-N369 WeakPolarHBondContact CB-ND2 3.33Å; D294-N369 PolarHBondContact OD1-ND2 3.38Å; I365-N369 WeakPolarHBondContact O-CB 3.36Å; I365-N369 VanDerWaalsContact O-CG 3.26Å; I365-N369 PolarHBondContact O-N 2.83Å; I365-N369 PolarHBondContact O-OD1 2.79Å; V366-N369 PolarHBondContact O-N 3.16Å |
| 370 | R | 86.7 | Confident | 73 | Confident | 143 Ų | 143 | 96.3 Ų | 96.3 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -74.7 | -25 | 174.8 | -70.3 | 172.7 | 177.2 | -176.3 | -3.1 | 113.6 | E298 V366 L367 T368 | E298-R370 IonicContact OE1-CZ 3.3Å; E298-R370 IonicContact OE1-NE 3.63Å; E298-R370 IonicContact OE1-NH2 3.59Å; E298-R370 PolarHBondContact OE1-NH2 3.03Å; E298-R370 IonicContact OE2-CZ 2.7Å; E298-R370 IonicContact OE2-NE 3.65Å; E298-R370 PolarHBondContact OE2-NE 3.14Å; E298-R370 VanDerWaalsContact OE2-NE 3.07Å; E298-R370 IonicContact OE2-NH2 3.7Å; E298-R370 PolarHBondContact OE2-NH2 3.28Å; V366-R370 WeakPolarHBondContact O-CG 3.11Å; V366-R370 PolarHBondContact O-N 2.7Å; L367-R370 PolarHBondContact O-N 3.45Å; T368-R370 PolarHBondContact O-N 3.4Å |
| 371 | M | 84.3 | Confident | 70.2 | Confident | 162 Ų | 162 | 99.2 Ų | 99.2 | 80% | 0.798 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -85.9 | -21.8 | 177.2 | -69.3 | -176.8 | 82.5 | 0 | 0 | 113.3 | L367 T368 E373 | L367-M371 VanDerWaalsContact O-CG 3.3Å; L367-M371 WeakPolarHBondContact O-CG 3.26Å; L367-M371 PolarHBondContact O-N 2.89Å; T368-M371 PolarHBondContact O-N 3.49Å; M371-E373 PolarHBondContact O-N 3.25Å |
| 372 | V | 81.6 | Confident | 67.3 | Low | 92 Ų | 92 | 102.6 Ų | 102.6 | 56% | 0.558 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -76.9 | 102 | 172.4 | 177.3 | 0 | 0 | 0 | 0 | 107.1 | T368 | T368-V372 HydrophobicContact CG2-CG2 4.47Å; T368-V372 WeakPolarHBondContact O-CG2 3.36Å; T368-V372 PolarHBondContact O-N 2.95Å |
| 373 | E | 54.4 | Low | 65 | Low | 147 Ų | 147 | 109.4 Ų | 109.4 | 69% | 0.687 | 58% | 0.582 | S | S | * | * | trans | -47.9 | 134.9 | 167.4 | -75.8 | -62.8 | 138.8 | 0 | 0 | 108.8 | M371 T375 | M371-E373 PolarHBondContact O-N 3.25Å; E373-T375 PolarHBondContact O-N 2.93Å | ||
| 374 | P | 57.9 | Low | 62.2 | Low | 108 Ų | 108 | 111.8 Ų | 111.8 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | trans | -56 | 98.3 | 170.5 | -16.8 | 28.4 | 0 | 0 | 0 | 106.5 | E376 | P374-E376 PolarHBondContact O-N 2.92Š| ||
| 375 | T | 46.4 | Very low | 59.9 | Low | 126 Ų | 126 | 113.7 Ų | 113.7 | 77% | 0.773 | 62% | 0.62 | S | S | * | * | trans | -71.5 | 85.4 | 165.6 | -54.3 | 0 | 0 | 0 | 0 | 102.5 | E373 S377 | E373-T375 PolarHBondContact O-N 2.93Å; T375-S377 PolarHBondContact O-N 3.43Å | ||
| 376 | E | 43.8 | Very low | 57.5 | Low | 132 Ų | 132 | 122.6 Ų | 122.6 | 62% | 0.617 | 65% | 0.652 | S | S | * | * | trans | -44.6 | 103.1 | 157.5 | -74 | -103.3 | 141.9 | 0 | 0 | 103.5 | P374 S378 | P374-E376 PolarHBondContact O-N 2.92Å; E376-S378 PolarHBondContact O-N 3.14Å | ||
| 377 | S | 38 | Very low | 55 | Low | 104 Ų | 104 | 129.8 Ų | 129.8 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | trans | -60.9 | 94.2 | 161.8 | 52.1 | 0 | 0 | 0 | 0 | 103.7 | T375 R379 | T375-S377 PolarHBondContact O-N 3.43Å; S377-R379 PolarHBondContact O-N 2.9Å | ||
| 378 | S | 31.8 | Very low | 52.7 | Low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | trans | -53.8 | 82 | 174.3 | -72.3 | 0 | 0 | 0 | 0 | 109.4 | E376 | E376-S378 PolarHBondContact O-N 3.14Š| ||
| 379 | R | 40.4 | Very low | 50.3 | Low | 227 Ų | 227 | 138.6 Ų | 138.6 | 86% | 0.857 | 72% | 0.718 | S | S | * | * | trans | -142.6 | 107.4 | 159.8 | -79.2 | -168.9 | 176.9 | -177.6 | -1.8 | 105.8 | S377 | S377-R379 PolarHBondContact O-N 2.9Š| ||
| 380 | S | 38.7 | Very low | 48.2 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | trans | 95.8 | 42.9 | 165 | -44.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 381 | Q | 36 | Very low | 46.2 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | -96 | 80.2 | 133.3 | -72.9 | -174.4 | 34 | 0 | 0 | 108 | ||||
| 382 | S | 37.4 | Very low | 44.4 | Very low | 92 Ų | 92 | 139 Ų | 139 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | trans | -144.3 | 124.6 | 157.9 | 92.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 383 | L | 46.7 | Very low | 42.7 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | 73.1 | 89.6 | 150.3 | -49.3 | 176 | 0 | 0 | 0 | 117.2 | ||||
| 384 | T | 35.8 | Very low | 42.2 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | 37.7 | 101.5 | 121.1 | 59.3 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 385 | V | 45.2 | Very low | 41.6 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | -131 | 101.1 | 151.3 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 386 | R | 40.9 | Very low | 41.5 | Very low | 212 Ų | 212 | 142.6 Ų | 142.6 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -65.7 | 127.1 | 163.9 | -167.4 | 177.2 | -172.6 | -152.3 | 4 | 108.3 | ||||
| 387 | Q | 40.3 | Very low | 41.3 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | trans | 63 | 105.1 | 146.6 | -65.9 | 179.9 | -5.3 | 0 | 0 | 118 | ||||
| 388 | R | 41.6 | Very low | 41.6 | Very low | 238 Ų | 238 | 153.1 Ų | 153.1 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | 100.3 | 161.5 | 85.6 | -122.3 | -151.8 | 164.2 | 160.3 | -1.3 | 111 | |||||
| 389 | P | 40.9 | Very low | 42 | Very low | 101 Ų | 101 | 152.6 Ų | 152.6 | 66% | 0.656 | 78% | 0.778 | S | S | * | * | -131.9 | 166.4 | -111.2 | 38.6 | -18.9 | 0 | 0 | 0 | 113.4 | |||||
| 390 | S | 43.2 | Very low | 42.2 | Very low | 117 Ų | 117 | 149.9 Ų | 149.9 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -179.8 | 108.2 | 142 | 30.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 391 | N | 45.6 | Very low | 42.7 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | 82.5 | 152.9 | 84.5 | -117 | 23.2 | 0 | 0 | 0 | 113.1 | |||||
| 392 | P | 45.2 | Very low | 43.1 | Very low | 92 Ų | 92 | 150.7 Ų | 150.7 | 60% | 0.597 | 78% | 0.775 | S | S | * | * | -127.2 | 177.3 | -95.5 | 31.7 | -12.3 | 0 | 0 | 0 | 111.3 | |||||
| 393 | L | 47.4 | Very low | 43.5 | Very low | 162 Ų | 162 | 152 Ų | 152 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | 167.2 | 138.3 | 130.2 | -106.7 | 86.9 | 0 | 0 | 0 | 111.8 | ||||
| 394 | S | 42.6 | Very low | 43.3 | Very low | 89 Ų | 89 | 151.6 Ų | 151.6 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | trans | 85.2 | 97.7 | 139.4 | -167.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 395 | K | 46.3 | Very low | 44 | Very low | 197 Ų | 197 | 151 Ų | 151 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | 75.6 | 119.2 | 125.2 | -66.6 | 176.2 | -174.7 | 171.8 | 0 | 120 | |||||
| 396 | S | 44.6 | Very low | 44.2 | Very low | 102 Ų | 102 | 150 Ų | 150 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | 95.2 | 104.5 | 123.6 | -169.3 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 397 | R | 38 | Very low | 44.5 | Very low | 227 Ų | 227 | 147.7 Ų | 147.7 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | trans | 43.4 | 107.9 | 132.3 | -60.2 | -178.7 | -179.3 | -154.8 | 0.5 | 117 | ||||
| 398 | R | 45.2 | Very low | 45 | Very low | 230 Ų | 230 | 144 Ų | 144 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | -177 | 143.4 | 111.9 | -96.7 | 163.6 | -163 | -163.7 | 5.4 | 111.4 | H400 | R398-H400 PolarHBondContact O-CD2 3.23Å; R398-H400 VanDerWaalsContact O-CD2 3.31Å | |||
| 399 | S | 39.8 | Very low | 46 | Very low | 102 Ų | 102 | 141 Ų | 141 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -31.6 | 126.9 | 168.6 | 161.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 400 | H | 44.3 | Very low | 47.3 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | trans | -123.5 | 112.6 | 159.1 | -73.7 | -83.2 | 0 | 0 | 0 | 109.9 | R398 | R398-H400 PolarHBondContact O-CD2 3.23Å; R398-H400 VanDerWaalsContact O-CD2 3.31Å | ||
| 401 | L | 49.8 | Very low | 49.3 | Very low | 155 Ų | 155 | 138 Ų | 138 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | -63.9 | 124.3 | 162.1 | -76.3 | 148.2 | 0 | 0 | 0 | 107.7 | V403 | L401-V403 PolarHBondContact O-N 3.45Å; L401-V403 VanDerWaalsContact O-N 3.12Å | ||
| 402 | N | 43.6 | Very low | 51.1 | Low | 156 Ų | 156 | 130.8 Ų | 130.8 | 83% | 0.834 | 70% | 0.704 | S | S | * | * | trans | -76.7 | 96.4 | 171.7 | -70.6 | -18.4 | 0 | 0 | 0 | 108.7 | ||||
| 403 | V | 46.9 | Very low | 53 | Low | 120 Ų | 120 | 132 Ų | 132 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -88.8 | 108.9 | 162.9 | 178.5 | 0 | 0 | 0 | 0 | 106.7 | L401 T405 | L401-V403 PolarHBondContact O-N 3.45Å; L401-V403 VanDerWaalsContact O-N 3.12Å; V403-T405 PolarHBondContact O-N 2.88Å | ||
| 404 | T | 41.8 | Very low | 54.8 | Low | 134 Ų | 134 | 126.6 Ų | 126.6 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | trans | -76.4 | 97.3 | 173.1 | -44.9 | 0 | 0 | 0 | 0 | 108.1 | V406 | T404-V406 PolarHBondContact O-N 2.95Š| ||
| 405 | T | 51.3 | Low | 57 | Low | 116 Ų | 116 | 124.8 Ų | 124.8 | 71% | 0.712 | 67% | 0.668 | S | S | * | * | trans | -72.3 | 122.7 | 172.5 | -47.9 | 0 | 0 | 0 | 0 | 109.1 | V403 M407 | V403-T405 PolarHBondContact O-N 2.88Å; T405-M407 PolarHBondContact O-N 3.44Å | ||
| 406 | V | 49.3 | Very low | 58.7 | Low | 123 Ų | 123 | 123.2 Ų | 123.2 | 75% | 0.745 | 66% | 0.663 | S | S | * | * | trans | -59.7 | 116.8 | 169.1 | 178.4 | 0 | 0 | 0 | 0 | 107.6 | T404 S408 | T404-V406 PolarHBondContact O-N 2.95Å; V406-S408 VanDerWaalsContact C-N 3.35Å; V406-S408 PolarHBondContact O-N 2.89Å | ||
| 407 | M | 47.1 | Very low | 60.6 | Low | 162 Ų | 162 | 119.3 Ų | 119.3 | 80% | 0.798 | 64% | 0.639 | S | S | * | * | trans | -73 | 92.2 | 171.4 | -66.4 | -174.8 | 70.9 | 0 | 0 | 108.2 | T405 | T405-M407 PolarHBondContact O-N 3.44Š| ||
| 408 | S | 51.2 | Low | 62.8 | Low | 77 Ų | 77 | 116.3 Ų | 116.3 | 54% | 0.538 | 64% | 0.64 | S | S | . | * | trans | -90.5 | 140.3 | 156.8 | 44.7 | 0 | 0 | 0 | 0 | 108 | V406 V410 | V406-S408 VanDerWaalsContact C-N 3.35Å; V406-S408 PolarHBondContact O-N 2.89Å; S408-V410 PolarHBondContact O-N 3.42Å; S408-V410 WeakPolarHBondContact OG-CG2 3.32Å | ||
| 409 | D | 61.5 | Low | 64.7 | Low | 175 Ų | 175 | 107.9 Ų | 107.9 | 94% | 0.936 | 61% | 0.61 | S | S | * | * | trans | -61 | 66.6 | 177 | -64.3 | -43.2 | 0 | 0 | 0 | 112.1 | ||||
| 410 | V | 69.4 | Low | 66.8 | Low | 89 Ų | 89 | 107.9 Ų | 107.9 | 54% | 0.539 | 60% | 0.602 | S | S | . | * | trans | -96.9 | 115.6 | -179.7 | -179.3 | 0 | 0 | 0 | 0 | 107.3 | S408 | S408-V410 PolarHBondContact O-N 3.42Å; S408-V410 WeakPolarHBondContact OG-CG2 3.32Å | ||
| 411 | P | 83.7 | Confident | 68.8 | Low | 66 Ų | 66 | 102.1 Ų | 102.1 | 43% | 0.429 | 58% | 0.577 | S | S | . | * | trans | -61.4 | 152.1 | 175.6 | 27 | -34.2 | 0 | 0 | 0 | 109.9 | V413 | P411-V413 PolarHBondContact O-N 2.99Å; P411-V413 VanDerWaalsContact O-N 3.16Å | ||
| 412 | C | 84.3 | Confident | 70.5 | Confident | 4 Ų | 4 | 98.7 Ų | 98.7 | 3% | 0.027 | 57% | 0.565 | C | S | . | * | trans | -54 | 123.2 | 178.9 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | L414 Q416 G417 H419 C424 | C412-L414 PolarHBondContact O-N 3.39Å; C412-Q416 WeakPolarHBondContact O-CA 3.45Å; C412-Q416 PolarHBondContact O-N 3.26Å; C412-G417 WeakPolarHBondContact CB-O 3.35Å; C412-G417 PolarHBondContact N-O 2.97Å; C412-H419 WeakPolarHBondContact CB-NE2 3.5Å; C412-C424 VanDerWaalsContact SG-CB 3.54Å; C412-C424 PolarHBondContact SG-SG 3.35Å | ||
| 413 | V | 84.9 | Confident | 72.4 | Confident | 116 Ų | 116 | 94 Ų | 94 | 70% | 0.703 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.4 | -177.7 | -176.5 | 0 | 0 | 0 | 0 | 112.8 | P411 | P411-V413 PolarHBondContact O-N 2.99Å; P411-V413 VanDerWaalsContact O-N 3.16Å |
| 414 | L | 85.2 | Confident | 74.4 | Confident | 50 Ų | 50 | 88.3 Ų | 88.3 | 26% | 0.262 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -45.6 | -177.1 | -66.6 | 174.4 | 0 | 0 | 0 | 114.2 | C412 L421 Q426 F427 F430 I438 | C412-L414 PolarHBondContact O-N 3.39Å; L414-L421 HydrophobicContact CB-CD1 4.47Å; L414-L421 HydrophobicContact CD1-CD1 3.51Å; L414-L421 HydrophobicContact CG-CD1 3.69Å; L414-Q426 PolarHBondContact O-OE1 3.27Å; L414-F427 HydrophobicContact CD1-CB 3.69Å; L414-F427 HydrophobicContact CD1-CD2 3.98Å; L414-F427 HydrophobicContact CD1-CG 4.32Å; L414-F430 HydrophobicContact CD1-CD2 4.41Å; L414-F430 HydrophobicContact CD1-CE2 4.11Å; L414-F430 HydrophobicContact CD2-CE2 4.35Å; L414-I438 HydrophobicContact CD1-CD1 3.97Å; L414-I438 HydrophobicContact CD1-CG2 4.31Å; L414-I438 HydrophobicContact CD2-CD1 3.87Å; L414-I438 HydrophobicContact CD2-CG1 4.16Å; L414-I438 HydrophobicContact CD2-CG2 3.78Å; L414-I438 HydrophobicContact CG-CD1 4.49Å; L414-I438 HydrophobicContact CG-CG2 4.09Å |
| 415 | C | 88.3 | Confident | 76.5 | Confident | 51 Ų | 51 | 86.4 Ų | 86.4 | 35% | 0.345 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 4.5 | -173.9 | 74.7 | 0 | 0 | 0 | 0 | 113.8 | G417 H419 | C415-G417 PolarHBondContact O-N 3.13Å; C415-G417 VanDerWaalsContact O-N 3.1Å; C415-H419 PolarHBondContact SG-CE1 3.38Å; C415-H419 PolarHBondContact SG-NE2 3.18Å |
| 416 | Q | 82.5 | Confident | 78.3 | Confident | 163 Ų | 163 | 85.5 Ų | 85.5 | 76% | 0.762 | 49% | 0.492 | S | S | * | . | trans | 58.1 | 20.8 | 179.7 | -55.7 | 175.6 | 12.6 | 0 | 0 | 114.6 | C412 | C412-Q416 WeakPolarHBondContact O-CA 3.45Å; C412-Q416 PolarHBondContact O-N 3.26Å | ||
| 417 | G | 83.6 | Confident | 80.2 | Confident | 20 Ų | 20 | 81.3 Ų | 81.3 | 21% | 0.206 | 46% | 0.463 | C | S | . | . | trans | -86.5 | 160.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | C412 C415 H419 | C412-G417 WeakPolarHBondContact CB-O 3.35Å; C412-G417 PolarHBondContact N-O 2.97Å; C415-G417 PolarHBondContact O-N 3.13Å; C415-G417 VanDerWaalsContact O-N 3.1Å; G417-H419 PolarHBondContact O-N 2.92Å | ||
| 418 | D | 84.7 | Confident | 82.1 | Confident | 164 Ų | 164 | 78 Ų | 78 | 88% | 0.877 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -77.8 | 66.7 | 178.6 | -63.5 | -30.2 | 0 | 0 | 0 | 111.9 | ||
| 419 | H | 85.2 | Confident | 83.9 | Confident | 53 Ų | 53 | 78.7 Ų | 78.7 | 25% | 0.245 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -153.8 | 154.4 | 174.2 | 54.5 | -89.4 | 0 | 0 | 0 | 110.8 | C412 C415 G417 A423 C424 | C412-H419 WeakPolarHBondContact CB-NE2 3.5Å; C415-H419 PolarHBondContact SG-CE1 3.38Å; C415-H419 PolarHBondContact SG-NE2 3.18Å; G417-H419 PolarHBondContact O-N 2.92Å; H419-A423 HydrophobicContact CB-CB 4.29Å; H419-C424 VanDerWaalsContact CD2-CA 3.41Å; H419-C424 WeakPolarHBondContact CD2-CA 3.46Å; H419-C424 VanDerWaalsContact NE2-CA 3.28Å; H419-C424 WeakPolarHBondContact NE2-CA 3.4Å; H419-C424 VanDerWaalsContact NE2-CB 3.27Å; H419-C424 WeakPolarHBondContact NE2-CB 3.21Å; H419-C424 PolarHBondContact NE2-SG 2.79Å |
| 420 | L | 84.8 | Confident | 85.2 | Confident | 102 Ų | 102 | 73.6 Ų | 73.6 | 53% | 0.534 | 42% | 0.423 | S | S | . | . | trans | -62.2 | 146.5 | 171.1 | -63.6 | 170.6 | 0 | 0 | 0 | 110.1 | S422 A423 C424 | L420-S422 PolarHBondContact O-N 3.23Å; L420-A423 PolarHBondContact O-N 2.85Å; L420-C424 PolarHBondContact O-N 3.39Å | ||
| 421 | L | 85.8 | Confident | 85.9 | Confident | 49 Ų | 49 | 73.6 Ų | 73.6 | 26% | 0.257 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -49.8 | -34.2 | 176.4 | -172.6 | 68.1 | 0 | 0 | 0 | 112.5 | L414 A423 C424 F427 I438 | L414-L421 HydrophobicContact CB-CD1 4.47Å; L414-L421 HydrophobicContact CD1-CD1 3.51Å; L414-L421 HydrophobicContact CG-CD1 3.69Å; L421-A423 PolarHBondContact O-N 2.89Å; L421-C424 WeakPolarHBondContact O-CB 3.26Å; L421-C424 PolarHBondContact O-N 2.88Å; L421-C424 VanDerWaalsContact O-N 3.15Å; L421-F427 HydrophobicContact CD1-CB 4.27Å; L421-F427 HydrophobicContact CD1-CD2 4Å; L421-F427 HydrophobicContact CD1-CG 4.22Å; L421-F427 HydrophobicContact CD2-CD2 4.2Å; L421-F427 HydrophobicContact CD2-CE2 4Å; L421-F427 HydrophobicContact CD2-CZ 4.42Å; L421-F427 HydrophobicContact CG-CB 4.5Å; L421-F427 HydrophobicContact CG-CD1 4.41Å; L421-F427 HydrophobicContact CG-CD2 3.85Å; L421-F427 HydrophobicContact CG-CE2 4.09Å; L421-F427 HydrophobicContact CG-CG 4.02Å; L421-F427 HydrophobicContact CG-CZ 4.46Å; L421-F427 WeakPolarHBondContact O-CB 3.38Å; L421-F427 WeakPolarHBondContact O-CD1 3.25Å; L421-F427 WeakPolarHBondContact O-CG 3.1Å; L421-I438 HydrophobicContact CD1-CG2 4.29Å; L421-I438 HydrophobicContact CD2-CG2 4.09Å |
| 422 | S | 84.4 | Confident | 85.9 | Confident | 82 Ų | 82 | 75.5 Ų | 75.5 | 57% | 0.573 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -63 | -22.2 | 176.2 | 53.5 | 0 | 0 | 0 | 0 | 114.9 | L420 | L420-S422 PolarHBondContact O-N 3.23Š|
| 423 | A | 84.6 | Confident | 85.7 | Confident | 58 Ų | 58 | 81.7 Ų | 81.7 | 48% | 0.479 | 47% | 0.468 | S | S | . | . | G | 310 helix | trans | -103.8 | 2.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | H419 L420 L421 P425 | H419-A423 HydrophobicContact CB-CB 4.29Å; L420-A423 PolarHBondContact O-N 2.85Å; L421-A423 PolarHBondContact O-N 2.89Å; A423-P425 WeakPolarHBondContact O-CD 3.47Å |
| 424 | C | 87.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 46% | 0.457 | C | S | . | . | trans | -73.9 | 125.1 | -177.6 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | C412 H419 L420 L421 Q426 F427 L428 | C412-C424 VanDerWaalsContact SG-CB 3.54Å; C412-C424 PolarHBondContact SG-SG 3.35Å; H419-C424 VanDerWaalsContact CD2-CA 3.41Å; H419-C424 WeakPolarHBondContact CD2-CA 3.46Å; H419-C424 VanDerWaalsContact NE2-CA 3.28Å; H419-C424 WeakPolarHBondContact NE2-CA 3.4Å; H419-C424 VanDerWaalsContact NE2-CB 3.27Å; H419-C424 WeakPolarHBondContact NE2-CB 3.21Å; H419-C424 PolarHBondContact NE2-SG 2.79Å; L420-C424 PolarHBondContact O-N 3.39Å; L421-C424 WeakPolarHBondContact O-CB 3.26Å; L421-C424 PolarHBondContact O-N 2.88Å; L421-C424 VanDerWaalsContact O-N 3.15Å; C424-Q426 VanDerWaalsContact C-N 3.27Å; C424-Q426 PolarHBondContact O-N 3.46Å; C424-F427 HydrophobicContact CB-CB 3.72Å; C424-F427 WeakPolarHBondContact O-CB 3.47Å; C424-F427 PolarHBondContact O-N 3.37Å; C424-F427 VanDerWaalsContact O-N 3.1Å; C424-L428 WeakPolarHBondContact O-CG 3.29Å; C424-L428 PolarHBondContact O-N 2.87Å | ||
| 425 | P | 87.9 | Confident | 85.7 | Confident | 95 Ų | 95 | 83.6 Ų | 83.6 | 62% | 0.617 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.2 | -35.6 | 177.5 | -23 | 32.5 | 0 | 0 | 0 | 113.3 | A423 L428 S429 | A423-P425 WeakPolarHBondContact O-CD 3.47Å; P425-L428 PolarHBondContact O-N 3.43Å; P425-S429 PolarHBondContact O-N 2.81Å |
| 426 | Q | 87.7 | Confident | 85.4 | Confident | 97 Ų | 97 | 85.3 Ų | 85.3 | 45% | 0.453 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.7 | -39 | 175.4 | -67 | -177 | -22.7 | 0 | 0 | 111.9 | L414 C424 L428 S429 F430 | L414-Q426 PolarHBondContact O-OE1 3.27Å; C424-Q426 VanDerWaalsContact C-N 3.27Å; C424-Q426 PolarHBondContact O-N 3.46Å; Q426-L428 VanDerWaalsContact C-N 3.32Å; Q426-L428 PolarHBondContact O-N 3.26Å; Q426-S429 PolarHBondContact O-N 2.69Å; Q426-S429 PolarHBondContact O-OG 2.93Å; Q426-F430 WeakPolarHBondContact O-CD2 3.12Å; Q426-F430 PolarHBondContact O-N 3.48Å |
| 427 | F | 88.8 | Confident | 85.3 | Confident | 34 Ų | 34 | 84 Ų | 84 | 15% | 0.149 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 173.7 | -173.8 | -112.5 | 0 | 0 | 0 | 111.2 | L414 L421 C424 S429 F430 R435 I438 | L414-F427 HydrophobicContact CD1-CB 3.69Å; L414-F427 HydrophobicContact CD1-CD2 3.98Å; L414-F427 HydrophobicContact CD1-CG 4.32Å; L421-F427 HydrophobicContact CD1-CB 4.27Å; L421-F427 HydrophobicContact CD1-CD2 4Å; L421-F427 HydrophobicContact CD1-CG 4.22Å; L421-F427 HydrophobicContact CD2-CD2 4.2Å; L421-F427 HydrophobicContact CD2-CE2 4Å; L421-F427 HydrophobicContact CD2-CZ 4.42Å; L421-F427 HydrophobicContact CG-CB 4.5Å; L421-F427 HydrophobicContact CG-CD1 4.41Å; L421-F427 HydrophobicContact CG-CD2 3.85Å; L421-F427 HydrophobicContact CG-CE2 4.09Å; L421-F427 HydrophobicContact CG-CG 4.02Å; L421-F427 HydrophobicContact CG-CZ 4.46Å; L421-F427 WeakPolarHBondContact O-CB 3.38Å; L421-F427 WeakPolarHBondContact O-CD1 3.25Å; L421-F427 WeakPolarHBondContact O-CG 3.1Å; C424-F427 HydrophobicContact CB-CB 3.72Å; C424-F427 WeakPolarHBondContact O-CB 3.47Å; C424-F427 PolarHBondContact O-N 3.37Å; C424-F427 VanDerWaalsContact O-N 3.1Å; F427-S429 VanDerWaalsContact C-N 3.32Å; F427-S429 PolarHBondContact O-N 3.05Å; F427-F430 PolarHBondContact O-N 3.44Å; F427-R435 HydrophobicContact CD2-CB 4.4Å; F427-R435 HydrophobicContact CD2-CG 4.01Å; F427-R435 HydrophobicContact CE1-CG 4.4Å; F427-R435 HydrophobicContact CE2-CB 3.64Å; F427-R435 HydrophobicContact CE2-CG 3.71Å; F427-R435 HydrophobicContact CG-CG 4.49Å; F427-R435 HydrophobicContact CZ-CB 3.82Å; F427-R435 HydrophobicContact CZ-CG 3.92Å; F427-R435 WeakPolarHBondContact O-CD 3.41Å; F427-R435 PolarHBondContact O-NE 2.88Å; F427-I438 HydrophobicContact CD2-CD1 4.23Å |
| 428 | L | 88.3 | Confident | 84.9 | Confident | 92 Ų | 92 | 87.2 Ų | 87.2 | 48% | 0.482 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.8 | -24.7 | 179.5 | -67.1 | 175.6 | 0 | 0 | 0 | 113.1 | C424 P425 Q426 R435 | C424-L428 WeakPolarHBondContact O-CG 3.29Å; C424-L428 PolarHBondContact O-N 2.87Å; P425-L428 PolarHBondContact O-N 3.43Å; Q426-L428 VanDerWaalsContact C-N 3.32Å; Q426-L428 PolarHBondContact O-N 3.26Å; L428-R435 VanDerWaalsContact C-NH2 3.35Å; L428-R435 PolarHBondContact O-NH2 2.85Å |
| 429 | S | 88.6 | Confident | 84.9 | Confident | 92 Ų | 92 | 83.4 Ų | 83.4 | 64% | 0.643 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -80 | -19.2 | 174.5 | 69.2 | 0 | 0 | 0 | 0 | 113.6 | P425 Q426 F427 | P425-S429 PolarHBondContact O-N 2.81Å; Q426-S429 PolarHBondContact O-N 2.69Å; Q426-S429 PolarHBondContact O-OG 2.93Å; F427-S429 VanDerWaalsContact C-N 3.32Å; F427-S429 PolarHBondContact O-N 3.05Å |
| 430 | F | 87.6 | Confident | 84.9 | Confident | 68 Ų | 68 | 84.9 Ų | 84.9 | 30% | 0.298 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -70.7 | 145.4 | 175.9 | -73.4 | -41.8 | 0 | 0 | 0 | 113 | L414 Q426 F427 R434 R435 I438 | L414-F430 HydrophobicContact CD1-CD2 4.41Å; L414-F430 HydrophobicContact CD1-CE2 4.11Å; L414-F430 HydrophobicContact CD2-CE2 4.35Å; Q426-F430 WeakPolarHBondContact O-CD2 3.12Å; Q426-F430 PolarHBondContact O-N 3.48Å; F427-F430 PolarHBondContact O-N 3.44Å; F430-R434 HydrophobicContact CB-CB 3.98Å; F430-R434 HydrophobicContact CB-CG 3.99Å; F430-R434 HydrophobicContact CD1-CB 4.29Å; F430-R434 HydrophobicContact CD1-CG 3.53Å; F430-R434 HydrophobicContact CD2-CG 4.23Å; F430-R434 HydrophobicContact CE1-CG 4.04Å; F430-R434 HydrophobicContact CG-CB 4.22Å; F430-R434 HydrophobicContact CG-CG 3.65Å; F430-R435 HydrophobicContact CB-CG 3.88Å; F430-R435 PolarHBondContact O-NE 3.04Å; F430-R435 PolarHBondContact O-NH2 2.86Å; F430-I438 HydrophobicContact CD2-CD1 3.43Å; F430-I438 VanDerWaalsContact CD2-CD1 3.43Å; F430-I438 HydrophobicContact CE2-CD1 3.58Å; F430-I438 HydrophobicContact CG-CD1 4.45Å |
| 431 | T | 84.9 | Confident | 84.9 | Confident | 89 Ų | 89 | 84 Ų | 84 | 55% | 0.546 | 47% | 0.471 | S | S | . | . | trans | -62.8 | 154 | 170.6 | 60.2 | 0 | 0 | 0 | 0 | 110.3 | N433 R434 R435 | T431-N433 PolarHBondContact O-N 2.81Å; T431-N433 VanDerWaalsContact O-N 3.13Å; T431-R434 PolarHBondContact O-N 3.39Å; T431-R434 PolarHBondContact OG1-N 3Å; T431-R435 PolarHBondContact O-N 3.22Å | ||
| 432 | P | 82.9 | Confident | 84.9 | Confident | 107 Ų | 107 | 86.1 Ų | 86.1 | 70% | 0.695 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -53.1 | -35.4 | 178.4 | -28.1 | 35.3 | 0 | 0 | 0 | 113.9 | R435 A436 | P432-R435 PolarHBondContact O-N 3.1Å; P432-A436 PolarHBondContact O-N 3.35Å |
| 433 | N | 81.8 | Confident | 84.9 | Confident | 133 Ų | 133 | 86.3 Ų | 86.3 | 71% | 0.711 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.8 | -46 | 173.9 | -76.7 | -1.6 | 0 | 0 | 0 | 111.7 | T431 R435 A436 | T431-N433 PolarHBondContact O-N 2.81Å; T431-N433 VanDerWaalsContact O-N 3.13Å; N433-R435 VanDerWaalsContact C-N 3.33Å; N433-R435 PolarHBondContact O-N 3.49Å; N433-A436 PolarHBondContact O-N 3.02Å |
| 434 | R | 82 | Confident | 84.9 | Confident | 125 Ų | 125 | 88.2 Ų | 88.2 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.8 | -29.6 | -180 | -173 | 58.4 | 167.9 | -164.7 | 0.1 | 112.8 | F430 T431 A436 E437 I438 | F430-R434 HydrophobicContact CB-CB 3.98Å; F430-R434 HydrophobicContact CB-CG 3.99Å; F430-R434 HydrophobicContact CD1-CB 4.29Å; F430-R434 HydrophobicContact CD1-CG 3.53Å; F430-R434 HydrophobicContact CD2-CG 4.23Å; F430-R434 HydrophobicContact CE1-CG 4.04Å; F430-R434 HydrophobicContact CG-CB 4.22Å; F430-R434 HydrophobicContact CG-CG 3.65Å; T431-R434 PolarHBondContact O-N 3.39Å; T431-R434 PolarHBondContact OG1-N 3Å; R434-A436 VanDerWaalsContact C-N 3.28Å; R434-A436 PolarHBondContact O-N 2.82Å; R434-E437 WeakPolarHBondContact CD-OE2 3.2Å; R434-E437 IonicContact CZ-OE2 3.62Å; R434-E437 IonicContact NE-OE2 3.58Å; R434-E437 IonicContact NH1-OE2 2.77Å; R434-E437 PolarHBondContact NH1-OE2 3.25Å; R434-E437 PolarHBondContact O-N 2.79Å; R434-I438 WeakPolarHBondContact O-CD1 3.44Å |
| 435 | R | 87.2 | Confident | 84.7 | Confident | 81 Ų | 81 | 94.5 Ų | 94.5 | 31% | 0.306 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.5 | -23.6 | 172.7 | -66.5 | -174.5 | -162.4 | 177.6 | 3.8 | 113.6 | F427 L428 F430 T431 P432 N433 E437 | F427-R435 HydrophobicContact CD2-CB 4.4Å; F427-R435 HydrophobicContact CD2-CG 4.01Å; F427-R435 HydrophobicContact CE1-CG 4.4Å; F427-R435 HydrophobicContact CE2-CB 3.64Å; F427-R435 HydrophobicContact CE2-CG 3.71Å; F427-R435 HydrophobicContact CG-CG 4.49Å; F427-R435 HydrophobicContact CZ-CB 3.82Å; F427-R435 HydrophobicContact CZ-CG 3.92Å; F427-R435 WeakPolarHBondContact O-CD 3.41Å; F427-R435 PolarHBondContact O-NE 2.88Å; L428-R435 VanDerWaalsContact C-NH2 3.35Å; L428-R435 PolarHBondContact O-NH2 2.85Å; F430-R435 HydrophobicContact CB-CG 3.88Å; F430-R435 PolarHBondContact O-NE 3.04Å; F430-R435 PolarHBondContact O-NH2 2.86Å; T431-R435 PolarHBondContact O-N 3.22Å; P432-R435 PolarHBondContact O-N 3.1Å; N433-R435 VanDerWaalsContact C-N 3.33Å; N433-R435 PolarHBondContact O-N 3.49Å; R435-E437 VanDerWaalsContact C-N 3.3Å |
| 436 | A | 82.1 | Confident | 84.5 | Confident | 88 Ų | 88 | 94.5 Ų | 94.5 | 73% | 0.727 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -11.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P432 N433 R434 | P432-A436 PolarHBondContact O-N 3.35Å; N433-A436 PolarHBondContact O-N 3.02Å; R434-A436 VanDerWaalsContact C-N 3.28Å; R434-A436 PolarHBondContact O-N 2.82Å |
| 437 | E | 80.8 | Confident | 84.2 | Confident | 135 Ų | 135 | 94.3 Ų | 94.3 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -6.1 | 177.5 | -65.1 | 174.3 | -180 | 0 | 0 | 113.3 | R434 R435 | R434-E437 WeakPolarHBondContact CD-OE2 3.2Å; R434-E437 IonicContact CZ-OE2 3.62Å; R434-E437 IonicContact NE-OE2 3.58Å; R434-E437 IonicContact NH1-OE2 2.77Å; R434-E437 PolarHBondContact NH1-OE2 3.25Å; R434-E437 PolarHBondContact O-N 2.79Å; R435-E437 VanDerWaalsContact C-N 3.3Å |
| 438 | I | 75.8 | Confident | 83.8 | Confident | 87 Ų | 87 | 99.7 Ų | 99.7 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | trans | -109.6 | 0 | -178.1 | -57.5 | 159.3 | 0 | 0 | 0 | 108.1 | L414 L421 F427 F430 R434 | L414-I438 HydrophobicContact CD1-CD1 3.97Å; L414-I438 HydrophobicContact CD1-CG2 4.31Å; L414-I438 HydrophobicContact CD2-CD1 3.87Å; L414-I438 HydrophobicContact CD2-CG1 4.16Å; L414-I438 HydrophobicContact CD2-CG2 3.78Å; L414-I438 HydrophobicContact CG-CD1 4.49Å; L414-I438 HydrophobicContact CG-CG2 4.09Å; L421-I438 HydrophobicContact CD1-CG2 4.29Å; L421-I438 HydrophobicContact CD2-CG2 4.09Å; F427-I438 HydrophobicContact CD2-CD1 4.23Å; F430-I438 HydrophobicContact CD2-CD1 3.43Å; F430-I438 VanDerWaalsContact CD2-CD1 3.43Å; F430-I438 HydrophobicContact CE2-CD1 3.58Å; F430-I438 HydrophobicContact CG-CD1 4.45Å; R434-I438 WeakPolarHBondContact O-CD1 3.44Å |
Retrieved 438 of 438 residues in 401.5 ms
(Link to these results)