| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48 | Very low | 45.3 | Very low | 240 Ų | 240 | 156.6 Ų | 156.6 | 100% | 1.182 | 85% | 0.853 | S | S | * | * | 0 | 136.3 | 0 | -76.8 | -168.8 | 168.2 | 0 | 0 | 107.7 | |||||
| 2 | L | 49.7 | Very low | 45.5 | Very low | 182 Ų | 182 | 158 Ų | 158 | 95% | 0.953 | 84% | 0.844 | S | S | * | * | trans | 72 | 88.8 | -174.4 | -60.4 | 170.5 | 0 | 0 | 0 | 116.7 | ||||
| 3 | R | 38.5 | Very low | 45.3 | Very low | 233 Ų | 233 | 154.4 Ų | 154.4 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | trans | -78.2 | 141.5 | 156.9 | -82.4 | -180 | 173 | -158.1 | -1.8 | 109.2 | ||||
| 4 | S | 49.3 | Very low | 44.9 | Very low | 123 Ų | 123 | 155.1 Ų | 155.1 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | trans | -140.5 | 111.9 | 153.8 | 50.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 5 | T | 44.7 | Very low | 44.3 | Very low | 112 Ų | 112 | 149.1 Ų | 149.1 | 69% | 0.687 | 83% | 0.83 | S | S | * | * | trans | -110.6 | 126 | 177.1 | 44.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 6 | L | 44.3 | Very low | 43.5 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | trans | -153 | 93.3 | 160.2 | -87 | 167 | 0 | 0 | 0 | 105.7 | ||||
| 7 | T | 48.1 | Very low | 42.9 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 71% | 0.706 | 82% | 0.824 | S | S | * | * | 64.9 | 98.9 | 88.9 | 61.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 8 | E | 42.4 | Very low | 42.4 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -69.7 | 153.2 | 157.1 | -73 | -100.1 | 141 | 0 | 0 | 110.8 | ||||
| 9 | P | 50.3 | Low | 42 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -132.3 | 128.8 | 140.6 | 34.1 | -20.4 | 0 | 0 | 0 | 113.7 | ||||
| 10 | E | 42 | Very low | 41.5 | Very low | 169 Ų | 169 | 147.1 Ų | 147.1 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -7.3 | 120.4 | 141.7 | -69.4 | -88.1 | 134 | 0 | 0 | 116.8 | ||||
| 11 | G | 41.5 | Very low | 41.2 | Very low | 80 Ų | 80 | 148.4 Ų | 148.4 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -129.3 | 96.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 12 | K | 47.8 | Very low | 40.5 | Very low | 173 Ų | 173 | 141 Ų | 141 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -63.6 | 153 | 179.1 | -75.4 | 166.9 | 177.6 | 168.1 | 0 | 113.9 | ||||
| 13 | S | 42.1 | Very low | 39.9 | Very low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -36.3 | 126.2 | 166.2 | 58.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 14 | N | 40.3 | Very low | 39.4 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -127.7 | 111.8 | 150.6 | -69.2 | -39.6 | 0 | 0 | 0 | 104.8 | ||||
| 15 | G | 35.8 | Very low | 38.7 | Very low | 64 Ų | 64 | 140.2 Ų | 140.2 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | 90.3 | 79.4 | 58.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | A17 | G15-A17 PolarHBondContact O-N 3.3Š| |||
| 16 | T | 32.1 | Very low | 38.5 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | 34.1 | 77.5 | 150 | 23.2 | 0 | 0 | 0 | 0 | 116.8 | L18 | T16-L18 PolarHBondContact O-N 3.05Š| ||
| 17 | A | 31.8 | Very low | 38.4 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | -73.8 | 93.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | G15 | G15-A17 PolarHBondContact O-N 3.3Š| ||
| 18 | L | 35.3 | Very low | 37.8 | Very low | 112 Ų | 112 | 139 Ų | 139 | 59% | 0.586 | 78% | 0.778 | S | S | * | * | trans | 75.1 | 73.2 | 143.6 | -61.1 | 164.8 | 0 | 0 | 0 | 117.2 | T16 R20 | T16-L18 PolarHBondContact O-N 3.05Å; L18-R20 HydrophobicContact CB-CB 4.41Å; L18-R20 HydrophobicContact CD2-CB 4.03Å; L18-R20 HydrophobicContact CD2-CG 3.85Å; L18-R20 PolarHBondContact O-N 2.62Å | ||
| 19 | Q | 34.8 | Very low | 37.5 | Very low | 184 Ų | 184 | 137.5 Ų | 137.5 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -51 | 45 | 135.3 | -74.8 | 169.2 | -40.4 | 0 | 0 | 113.9 | ||||
| 20 | R | 31.9 | Very low | 36.7 | Very low | 190 Ų | 190 | 138.2 Ų | 138.2 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | -137.4 | 85.7 | 179.9 | -66.1 | -170 | -173.9 | 140.5 | -4.8 | 109.2 | L18 | L18-R20 HydrophobicContact CB-CB 4.41Å; L18-R20 HydrophobicContact CD2-CB 4.03Å; L18-R20 HydrophobicContact CD2-CG 3.85Å; L18-R20 PolarHBondContact O-N 2.62Å | ||
| 21 | I | 35.3 | Very low | 36.4 | Very low | 175 Ų | 175 | 139 Ų | 139 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -173.5 | 48.9 | 134.4 | -74.6 | 138.2 | 0 | 0 | 0 | 106.5 | K23 | I21-K23 VanDerWaalsContact C-N 3.35Š| ||
| 22 | G | 32.2 | Very low | 36.2 | Very low | 85 Ų | 85 | 140.4 Ų | 140.4 | 88% | 0.876 | 77% | 0.771 | S | S | * | * | trans | -102.1 | 48.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 23 | K | 38.2 | Very low | 35.6 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | trans | -126.2 | 113.4 | -173 | -110.3 | -178.6 | 178.5 | -179.3 | 0 | 110.2 | I21 | I21-K23 VanDerWaalsContact C-N 3.35Š| ||
| 24 | L | 27.6 | Very low | 35.4 | Very low | 156 Ų | 156 | 137 Ų | 137 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 79.7 | 79.2 | 144.3 | -62.1 | 153.4 | 0 | 0 | 0 | 117.8 | ||
| 25 | K | 34.4 | Very low | 35.1 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | -165 | 31.9 | 133.2 | -124.5 | 179 | -177.8 | -179.8 | 0 | 116.4 | I27 | K25-I27 PolarHBondContact O-N 2.97Š| ||
| 26 | A | 39.9 | Very low | 35.1 | Very low | 72 Ų | 72 | 143.9 Ų | 143.9 | 60% | 0.595 | 79% | 0.785 | S | S | * | * | trans | -83.9 | 104.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | L28 F218 | A26-L28 VanDerWaalsContact C-N 3.26Å; A26-L28 PolarHBondContact O-N 2.81Å; A26-F218 HydrophobicContact CB-CE2 4.4Å | ||
| 27 | I | 43.1 | Very low | 35 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | trans | -67.7 | 91.8 | 171.4 | -64.6 | 174.1 | 0 | 0 | 0 | 107 | K25 L29 | K25-I27 PolarHBondContact O-N 2.97Å; I27-L29 VanDerWaalsContact C-N 3.28Å; I27-L29 HydrophobicContact CG2-CB 4.4Å; I27-L29 HydrophobicContact CG2-CD1 3.68Å; I27-L29 HydrophobicContact CG2-CG 3.67Å; I27-L29 PolarHBondContact O-N 3.15Å; I27-L29 VanDerWaalsContact O-N 3.08Å | ||
| 28 | L | 36.3 | Very low | 34.9 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -78 | 79.7 | 170.6 | -157.3 | 93.7 | 0 | 0 | 0 | 108 | A26 N30 | A26-L28 VanDerWaalsContact C-N 3.26Å; A26-L28 PolarHBondContact O-N 2.81Å; L28-N30 PolarHBondContact O-N 3.34Å | ||
| 29 | L | 35.5 | Very low | 35.2 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -83.4 | 92.9 | 168 | -84.2 | 163.9 | 0 | 0 | 0 | 108.3 | I27 | I27-L29 VanDerWaalsContact C-N 3.28Å; I27-L29 HydrophobicContact CG2-CB 4.4Å; I27-L29 HydrophobicContact CG2-CD1 3.68Å; I27-L29 HydrophobicContact CG2-CG 3.67Å; I27-L29 PolarHBondContact O-N 3.15Å; I27-L29 VanDerWaalsContact O-N 3.08Å | ||
| 30 | N | 32.2 | Very low | 35.2 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -141.5 | 128.7 | 164.5 | -144.5 | -3.3 | 0 | 0 | 0 | 111.9 | L28 | L28-N30 PolarHBondContact O-N 3.34Š| ||
| 31 | K | 37.3 | Very low | 35.6 | Very low | 184 Ų | 184 | 132.5 Ų | 132.5 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | 74.9 | 109.7 | 166.8 | -53.3 | -176.2 | -179.9 | -177.4 | 0 | 117.9 | ||||
| 32 | S | 36.6 | Very low | 36 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | 162.9 | 142.7 | 88.8 | -153.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 33 | S | 36.1 | Very low | 36.5 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | 59.5 | 108.2 | 162.8 | -69.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 34 | A | 37.3 | Very low | 37.2 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | 169.3 | 124.5 | 105.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 35 | K | 33.9 | Very low | 38 | Very low | 198 Ų | 198 | 119.4 Ų | 119.4 | 86% | 0.861 | 72% | 0.717 | S | S | * | * | trans | -51.6 | 142.9 | 162.7 | -73.3 | 165.2 | 172.9 | 172.4 | 0 | 109 | ||||
| 36 | I | 35.3 | Very low | 38.5 | Very low | 174 Ų | 174 | 114.2 Ų | 114.2 | 89% | 0.892 | 70% | 0.698 | S | S | * | * | trans | 165.2 | 131.7 | 132.3 | -68.7 | 138.2 | 0 | 0 | 0 | 106.5 | ||||
| 37 | G | 29.9 | Very low | 38.8 | Very low | 73 Ų | 73 | 119 Ų | 119 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | trans | 102.5 | 108.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 38 | A | 30.7 | Very low | 39 | Very low | 106 Ų | 106 | 117.3 Ų | 117.3 | 88% | 0.876 | 69% | 0.692 | S | S | * | * | trans | -49.6 | 145 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 39 | A | 40.5 | Very low | 39.7 | Very low | 100 Ų | 100 | 116 Ų | 116 | 83% | 0.826 | 68% | 0.68 | S | S | * | * | 168.6 | 116.7 | 126.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | G41 | A39-G41 PolarHBondContact O-N 2.96Š| |||
| 40 | T | 36 | Very low | 40.3 | Very low | 131 Ų | 131 | 118.3 Ų | 118.3 | 80% | 0.804 | 68% | 0.678 | S | S | * | * | trans | -57.9 | 115.6 | -176.3 | -41.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 41 | G | 40.3 | Very low | 40.6 | Very low | 57 Ų | 57 | 114.9 Ų | 114.9 | 59% | 0.588 | 67% | 0.674 | S | S | * | * | trans | -117.4 | 64.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A39 G43 K192 | A39-G41 PolarHBondContact O-N 2.96Å; G41-G43 PolarHBondContact O-N 2.7Å; G41-K192 PolarHBondContact O-NZ 3.28Å | ||
| 42 | D | 42.1 | Very low | 41.2 | Very low | 82 Ų | 82 | 115.4 Ų | 115.4 | 44% | 0.439 | 67% | 0.671 | S | S | . | * | trans | -50.3 | 121 | 175.1 | -76 | -11.3 | 0 | 0 | 0 | 110.8 | R47 K192 | D42-R47 IonicContact OD2-CZ 3.26Å; D42-R47 IonicContact OD2-NE 2.75Å; D42-R47 IonicContact OD2-NH2 3.09Å; D42-R47 PolarHBondContact OD2-NH2 2.79Å; D42-K192 PolarHBondContact O-NZ 2.88Å | ||
| 43 | G | 44.4 | Very low | 41.2 | Very low | 27 Ų | 27 | 116.9 Ų | 116.9 | 28% | 0.278 | 67% | 0.67 | S | S | . | * | trans | -81.7 | 143.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | G41 L45 D46 | G41-G43 PolarHBondContact O-N 2.7Å; G43-L45 PolarHBondContact O-N 3.27Å; G43-D46 PolarHBondContact O-N 3.02Å | ||
| 44 | I | 51.3 | Low | 41.3 | Very low | 146 Ų | 146 | 120.5 Ų | 120.5 | 75% | 0.749 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -52 | -29 | 177.6 | -66.9 | 165.6 | 0 | 0 | 0 | 112.2 | ||
| 45 | L | 44.9 | Very low | 41.3 | Very low | 68 Ų | 68 | 126.9 Ų | 126.9 | 36% | 0.356 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -70.9 | -36.7 | 174.4 | -79.7 | 164 | 0 | 0 | 0 | 113.5 | G43 R47 L48 F49 W188 | G43-L45 PolarHBondContact O-N 3.27Å; L45-R47 VanDerWaalsContact C-N 3.31Å; L45-R47 PolarHBondContact O-N 3.26Å; L45-L48 PolarHBondContact O-N 3Å; L45-L48 VanDerWaalsContact O-N 3.16Å; L45-F49 HydrophobicContact CB-CE2 4.41Å; L45-F49 HydrophobicContact CD2-CE2 4.07Å; L45-F49 WeakPolarHBondContact O-CD2 3.3Å; L45-F49 PolarHBondContact O-N 3.23Å; L45-W188 HydrophobicContact CD1-CE3 4.48Å; L45-W188 HydrophobicContact CD1-CH2 4.07Å; L45-W188 HydrophobicContact CD1-CZ2 4.41Å; L45-W188 HydrophobicContact CD1-CZ3 4.09Å |
| 46 | D | 44.5 | Very low | 41.5 | Very low | 74 Ų | 74 | 129.2 Ų | 129.2 | 40% | 0.396 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -67.9 | -33.3 | -178.5 | -151.2 | 64.6 | 0 | 0 | 0 | 111.7 | G43 F49 R50 | G43-D46 PolarHBondContact O-N 3.02Å; D46-F49 PolarHBondContact O-N 2.91Å; D46-R50 PolarHBondContact O-N 3.33Å; D46-R50 IonicContact OD2-CZ 3.94Å; D46-R50 IonicContact OD2-NE 3.85Å; D46-R50 PolarHBondContact OD2-NE 2.89Å; D46-R50 IonicContact OD2-NH2 2.95Å |
| 47 | R | 45.6 | Very low | 41.9 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 66% | 0.657 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -68.3 | -32.1 | 173.5 | -68.5 | -172.2 | -170.4 | 174.5 | 4.8 | 113 | D42 L45 F49 G51 | D42-R47 IonicContact OD2-CZ 3.26Å; D42-R47 IonicContact OD2-NE 2.75Å; D42-R47 IonicContact OD2-NH2 3.09Å; D42-R47 PolarHBondContact OD2-NH2 2.79Å; L45-R47 VanDerWaalsContact C-N 3.31Å; L45-R47 PolarHBondContact O-N 3.26Å; R47-F49 VanDerWaalsContact C-N 3.33Å; R47-G51 PolarHBondContact O-N 2.85Å |
| 48 | L | 48.3 | Very low | 42.1 | Very low | 96 Ų | 96 | 137 Ų | 137 | 50% | 0.503 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -71.3 | -27.9 | 176.6 | -78.8 | 163.5 | 0 | 0 | 0 | 112.7 | L45 | L45-L48 PolarHBondContact O-N 3Å; L45-L48 VanDerWaalsContact O-N 3.16Å |
| 49 | F | 50.1 | Low | 42.2 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 58% | 0.583 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -90.1 | -23.3 | -178.9 | -69.4 | -67.8 | 0 | 0 | 0 | 114.6 | L45 D46 R47 W167 | L45-F49 HydrophobicContact CB-CE2 4.41Å; L45-F49 HydrophobicContact CD2-CE2 4.07Å; L45-F49 WeakPolarHBondContact O-CD2 3.3Å; L45-F49 PolarHBondContact O-N 3.23Å; D46-F49 PolarHBondContact O-N 2.91Å; R47-F49 VanDerWaalsContact C-N 3.33Å; F49-W167 HydrophobicContact CE1-CZ2 4.28Å |
| 50 | R | 49.7 | Very low | 41.9 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 77% | 0.774 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -89 | -18.7 | 175 | -74.9 | -178.1 | -155.4 | -100.5 | -3.5 | 115.3 | D46 | D46-R50 PolarHBondContact O-N 3.33Å; D46-R50 IonicContact OD2-CZ 3.94Å; D46-R50 IonicContact OD2-NE 3.85Å; D46-R50 PolarHBondContact OD2-NE 2.89Å; D46-R50 IonicContact OD2-NH2 2.95Å |
| 51 | G | 38.5 | Very low | 42 | Very low | 61 Ų | 61 | 139.3 Ų | 139.3 | 63% | 0.629 | 67% | 0.671 | S | S | * | * | trans | -94.2 | 4.6 | -163.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | R47 | R47-G51 PolarHBondContact O-N 2.85Š| ||
| 52 | R | 48.3 | Very low | 42 | Very low | 194 Ų | 194 | 141.7 Ų | 141.7 | 73% | 0.732 | 68% | 0.678 | S | S | * | * | trans | -107.9 | 66.1 | -176.6 | -78.4 | -173.3 | -171.1 | 144.9 | 2.5 | 112.9 | ||||
| 53 | N | 36.5 | Very low | 41.5 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 77% | 0.765 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -157.1 | 131 | 151.6 | -85.1 | -38.2 | 0 | 0 | 0 | 106.9 | ||
| 54 | H | 38.8 | Very low | 41.1 | Very low | 189 Ų | 189 | 148.5 Ų | 148.5 | 88% | 0.875 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 110.7 | 112.6 | 176.9 | -59.1 | 78 | 0 | 0 | 0 | 116.1 | ||
| 55 | R | 37.2 | Very low | 40.2 | Very low | 233 Ų | 233 | 151 Ų | 151 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | trans | 72.7 | 85.9 | 164.6 | -81.5 | -179.8 | 166.6 | 160.4 | -3.6 | 118.8 | ||||
| 56 | R | 38.9 | Very low | 39.6 | Very low | 248 Ų | 248 | 150.4 Ų | 150.4 | 94% | 0.936 | 74% | 0.74 | S | S | * | * | trans | -99.3 | 106.3 | 144.3 | -77 | 180 | 173.3 | 155.6 | -4 | 108.4 | ||||
| 57 | H | 42.2 | Very low | 39.1 | Very low | 182 Ų | 182 | 153.5 Ų | 153.5 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | -90.4 | 120.3 | 149.1 | -90.9 | -80.3 | 0 | 0 | 0 | 107.3 | ||||
| 58 | R | 34.7 | Very low | 38.3 | Very low | 228 Ų | 228 | 154.2 Ų | 154.2 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -83.4 | 126.6 | -176.2 | -177 | -173.7 | -73.3 | -174.5 | -4.6 | 107.3 | ||||
| 59 | C | 32.6 | Very low | 37.4 | Very low | 118 Ų | 118 | 155 Ų | 155 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -135.8 | 124.6 | 149 | -157.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 60 | S | 34.3 | Very low | 36.5 | Very low | 86 Ų | 86 | 159 Ų | 159 | 60% | 0.601 | 80% | 0.796 | S | S | * | * | trans | -102 | 120.9 | -174.3 | -43.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 61 | H | 39.4 | Very low | 35.9 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -144.1 | 131.9 | 155.7 | -86 | -69.9 | 0 | 0 | 0 | 110.7 | ||||
| 62 | S | 39 | Very low | 35.7 | Very low | 106 Ų | 106 | 156.2 Ų | 156.2 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -62.9 | 150.1 | -176.7 | 41.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 63 | V | 32.4 | Very low | 35.3 | Very low | 148 Ų | 148 | 154 Ų | 154 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -65.1 | 125.4 | 171.1 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 64 | S | 35 | Very low | 35.1 | Very low | 104 Ų | 104 | 153.1 Ų | 153.1 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -151.1 | 126.7 | 155.5 | 53.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 65 | E | 33.9 | Very low | 35.6 | Very low | 198 Ų | 198 | 151 Ų | 151 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -52.4 | 129.7 | 174.8 | -65.5 | 168.5 | 145.7 | 0 | 0 | 110.6 | ||||
| 66 | G | 31.2 | Very low | 35.7 | Very low | 56 Ų | 56 | 150 Ų | 150 | 58% | 0.577 | 80% | 0.795 | S | S | * | * | trans | -173.9 | 110.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.6 | F68 | G66-F68 PolarHBondContact O-N 3.23Š| ||
| 67 | V | 34 | Very low | 36.4 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -42.6 | 121.8 | 164.8 | 171.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 68 | F | 30.2 | Very low | 36.8 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -123.1 | 104.8 | 174 | -101.7 | -85.6 | 0 | 0 | 0 | 112.2 | G66 | G66-F68 PolarHBondContact O-N 3.23Š| ||
| 69 | T | 29.6 | Very low | 37.6 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | trans | -46.9 | 140.6 | 156.8 | 37.5 | 0 | 0 | 0 | 0 | 112.5 | S71 | T69-S71 PolarHBondContact O-N 3.11Å; T69-S71 VanDerWaalsContact O-N 3.17Å | ||
| 70 | F | 31 | Very low | 38.9 | Very low | 218 Ų | 218 | 141.9 Ų | 141.9 | 96% | 0.956 | 78% | 0.779 | S | S | * | * | trans | -63.5 | 105 | 176.2 | -141.3 | -99.5 | 0 | 0 | 0 | 109.8 | ||||
| 71 | S | 37 | Very low | 40.5 | Very low | 96 Ų | 96 | 142.7 Ų | 142.7 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | trans | -120.1 | 113.5 | 165.8 | 65.2 | 0 | 0 | 0 | 0 | 109.5 | T69 E73 | T69-S71 PolarHBondContact O-N 3.11Å; T69-S71 VanDerWaalsContact O-N 3.17Å; S71-E73 PolarHBondContact O-N 3.13Å | ||
| 72 | S | 33.6 | Very low | 42.3 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -58.1 | 111.2 | 171.9 | 43.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 73 | E | 40.1 | Very low | 44.3 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | -106.2 | 108.4 | 161.9 | -93.1 | -168.7 | 173.3 | 0 | 0 | 109.5 | S71 K75 | S71-E73 PolarHBondContact O-N 3.13Å; E73-K75 PolarHBondContact O-N 3.3Å; E73-K75 IonicContact OE2-NZ 3.16Å; E73-K75 PolarHBondContact OE2-NZ 2.91Å | ||
| 74 | S | 33.1 | Very low | 46.6 | Very low | 125 Ų | 125 | 137 Ų | 137 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | trans | -72.3 | 99.8 | 172.4 | -50.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 75 | K | 47.9 | Very low | 49 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 63% | 0.63 | 73% | 0.725 | S | S | * | * | trans | -111 | 114.1 | 163.7 | -73.8 | 174.5 | -179.6 | 141.9 | 0 | 107.6 | E73 L77 | E73-K75 PolarHBondContact O-N 3.3Å; E73-K75 IonicContact OE2-NZ 3.16Å; E73-K75 PolarHBondContact OE2-NZ 2.91Å; K75-L77 VanDerWaalsContact C-N 3.35Å; K75-L77 HydrophobicContact CB-CD1 4.42Å; K75-L77 PolarHBondContact O-N 2.85Å | ||
| 76 | Q | 40.8 | Very low | 51.3 | Low | 210 Ų | 210 | 127.1 Ų | 127.1 | 98% | 0.981 | 69% | 0.687 | S | S | * | * | trans | -59.3 | 99 | 168.9 | -70.3 | -179.7 | -61 | 0 | 0 | 108 | ||||
| 77 | L | 53.3 | Low | 53.9 | Low | 141 Ų | 141 | 132 Ų | 132 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | trans | -113.8 | 127.7 | 175.3 | -85.7 | 160.7 | 0 | 0 | 0 | 105.9 | K75 D79 | K75-L77 VanDerWaalsContact C-N 3.35Å; K75-L77 HydrophobicContact CB-CD1 4.42Å; K75-L77 PolarHBondContact O-N 2.85Å; L77-D79 PolarHBondContact O-N 2.97Å | ||
| 78 | E | 50.5 | Low | 56.1 | Low | 190 Ų | 190 | 129.1 Ų | 129.1 | 89% | 0.888 | 68% | 0.676 | S | S | * | * | trans | -49.8 | 126.7 | 169.9 | -64.7 | -172.5 | 158.9 | 0 | 0 | 108.8 | D80 | E78-D80 PolarHBondContact O-N 2.98Š| ||
| 79 | D | 50.9 | Low | 58.7 | Low | 153 Ų | 153 | 127.1 Ų | 127.1 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | -62.1 | 80.6 | -176.3 | -95.6 | -28.8 | 0 | 0 | 0 | 110.5 | L77 C81 | L77-D79 PolarHBondContact O-N 2.97Å; D79-C81 PolarHBondContact O-N 3.44Å | ||
| 80 | D | 60.3 | Low | 61.2 | Low | 123 Ų | 123 | 128.5 Ų | 128.5 | 66% | 0.658 | 68% | 0.678 | S | S | * | * | trans | -76.7 | 78.5 | 168.1 | -152.2 | 29 | 0 | 0 | 0 | 106.4 | E78 K82 | E78-D80 PolarHBondContact O-N 2.98Å; D80-K82 VanDerWaalsContact C-N 3.28Å; D80-K82 PolarHBondContact O-N 2.87Å; D80-K82 WeakPolarHBondContact OD2-CE 3.49Å; D80-K82 IonicContact OD2-NZ 2.79Å | ||
| 81 | C | 67.1 | Low | 63.6 | Low | 103 Ų | 103 | 125.6 Ų | 125.6 | 70% | 0.696 | 67% | 0.671 | S | S | * | * | trans | -59.6 | 81 | -176.2 | -76.2 | 0 | 0 | 0 | 0 | 111.8 | D79 V83 | D79-C81 PolarHBondContact O-N 3.44Å; C81-V83 PolarHBondContact O-N 3.32Å | ||
| 82 | K | 78.1 | Confident | 65.8 | Low | 177 Ų | 177 | 122.7 Ų | 122.7 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | trans | -80.1 | 114.2 | 172.7 | -72.2 | 171.3 | -173.7 | 167.6 | 0 | 109.2 | D80 | D80-K82 VanDerWaalsContact C-N 3.28Å; D80-K82 PolarHBondContact O-N 2.87Å; D80-K82 WeakPolarHBondContact OD2-CE 3.49Å; D80-K82 IonicContact OD2-NZ 2.79Å | ||
| 83 | V | 80.2 | Confident | 68.4 | Low | 78 Ų | 78 | 122.2 Ų | 122.2 | 47% | 0.473 | 64% | 0.641 | S | S | . | * | trans | -111.6 | 142.3 | 176.5 | -64.5 | 0 | 0 | 0 | 0 | 110.6 | C81 M85 I94 | C81-V83 PolarHBondContact O-N 3.32Å; V83-M85 HydrophobicContact CG2-CG 4.39Å; V83-M85 HydrophobicContact CG2-SD 4.22Å; V83-M85 PolarHBondContact O-N 3.12Å; V83-I94 HydrophobicContact CB-CG2 4.01Å; V83-I94 HydrophobicContact CG1-CG2 4.47Å; V83-I94 HydrophobicContact CG2-CG1 4.26Å; V83-I94 HydrophobicContact CG2-CG2 3.97Å | ||
| 84 | P | 81.3 | Confident | 70.7 | Confident | 61 Ų | 61 | 119.6 Ų | 119.6 | 40% | 0.396 | 63% | 0.63 | S | S | . | * | trans | -66.4 | 132.1 | 170.6 | 25.1 | -27.3 | 0 | 0 | 0 | 109.5 | V95 T101 | P84-V95 HydrophobicContact CB-CB 4.36Å; P84-V95 HydrophobicContact CG-CB 4.25Å; P84-V95 WeakPolarHBondContact CG-O 3.36Å; P84-V95 PolarHBondContact O-N 3.39Å; P84-T101 HydrophobicContact CB-CG2 4Å; P84-T101 HydrophobicContact CG-CG2 3.97Å | ||
| 85 | M | 85.5 | Confident | 73.2 | Confident | 71 Ų | 71 | 114 Ų | 114 | 35% | 0.35 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.6 | 132 | -179.8 | -70.3 | -67.1 | -65.5 | 0 | 0 | 109.3 | V83 F87 K93 I94 | V83-M85 HydrophobicContact CG2-CG 4.39Å; V83-M85 HydrophobicContact CG2-SD 4.22Å; V83-M85 PolarHBondContact O-N 3.12Å; M85-F87 HydrophobicContact CB-CD2 4.39Å; M85-F87 HydrophobicContact CB-CE2 3.71Å; M85-F87 HydrophobicContact CB-CZ 3.87Å; M85-K93 WeakPolarHBondContact CA-O 3.36Å; M85-I94 HydrophobicContact CE-CG1 4.09Å; M85-I94 WeakPolarHBondContact SD-CA 3.19Å; M85-I94 HydrophobicContact SD-CB 3.89Å; M85-I94 HydrophobicContact SD-CG1 3.23Å; M85-I94 WeakPolarHBondContact SD-CG1 3.49Å |
| 86 | D | 82.7 | Confident | 75.1 | Confident | 23 Ų | 23 | 112.9 Ų | 112.9 | 12% | 0.123 | 60% | 0.596 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.8 | 170.6 | 176.7 | 15.8 | 0 | 0 | 0 | 109.7 | T88 G92 K93 V95 L104 | D86-T88 VanDerWaalsContact OD1-CB 3.25Å; D86-T88 WeakPolarHBondContact OD1-CB 3.11Å; D86-T88 WeakPolarHBondContact OD1-CG2 3.24Å; D86-T88 PolarHBondContact OD1-N 2.94Å; D86-T88 PolarHBondContact OD1-OG1 3.19Å; D86-T88 PolarHBondContact OD2-OG1 3.36Å; D86-G92 CarbonylContact O-C 3.45Å; D86-G92 VanDerWaalsContact O-CA 3.22Å; D86-G92 WeakPolarHBondContact O-CA 3.24Å; D86-K93 PolarHBondContact N-O 2.83Å; D86-K93 PolarHBondContact O-N 3.46Å; D86-V95 HydrophobicContact CB-CG2 3.71Å; D86-L104 HydrophobicContact CB-CD1 4.04Å |
| 87 | F | 84.8 | Confident | 77.3 | Confident | 158 Ų | 158 | 106.3 Ų | 106.3 | 69% | 0.693 | 57% | 0.568 | S | S | * | * | trans | -109.2 | 14.5 | 177.2 | -64 | -77.2 | 0 | 0 | 0 | 113 | M85 K89 | M85-F87 HydrophobicContact CB-CD2 4.39Å; M85-F87 HydrophobicContact CB-CE2 3.71Å; M85-F87 HydrophobicContact CB-CZ 3.87Å; F87-K89 PolarHBondContact O-N 3.33Å | ||
| 88 | T | 81 | Confident | 78.9 | Confident | 81 Ų | 81 | 103.8 Ų | 103.8 | 50% | 0.497 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -60.2 | -24.5 | 175.3 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | D86 | D86-T88 VanDerWaalsContact OD1-CB 3.25Å; D86-T88 WeakPolarHBondContact OD1-CB 3.11Å; D86-T88 WeakPolarHBondContact OD1-CG2 3.24Å; D86-T88 PolarHBondContact OD1-N 2.94Å; D86-T88 PolarHBondContact OD1-OG1 3.19Å; D86-T88 PolarHBondContact OD2-OG1 3.36Å |
| 89 | K | 83.5 | Confident | 80.8 | Confident | 145 Ų | 145 | 101.9 Ų | 101.9 | 63% | 0.63 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -109.3 | 154.1 | 176 | -62.5 | -179.1 | -176.1 | 177.5 | 0 | 111.3 | F87 L91 | F87-K89 PolarHBondContact O-N 3.33Å; K89-L91 CarbonylContact O-C 3.54Å; K89-L91 PolarHBondContact O-N 3.13Å |
| 90 | P | 82.8 | Confident | 82.5 | Confident | 142 Ų | 142 | 97.2 Ų | 97.2 | 92% | 0.922 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -57.1 | -32.5 | 179 | -26.4 | 34.6 | 0 | 0 | 0 | 114.4 | ||
| 91 | L | 82.1 | Confident | 83.5 | Confident | 157 Ų | 157 | 93.5 Ų | 93.5 | 82% | 0.822 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -93.9 | 111.2 | 166.8 | -75.8 | 115.6 | 0 | 0 | 0 | 108.3 | K89 | K89-L91 CarbonylContact O-C 3.54Å; K89-L91 PolarHBondContact O-N 3.13Å |
| 92 | G | 83.3 | Confident | 84.4 | Confident | 35 Ų | 35 | 96.7 Ų | 96.7 | 36% | 0.361 | 50% | 0.501 | S | S | . | . | trans | -61.3 | 136.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D86 | D86-G92 CarbonylContact O-C 3.45Å; D86-G92 VanDerWaalsContact O-CA 3.22Å; D86-G92 WeakPolarHBondContact O-CA 3.24Å | ||
| 93 | K | 88 | Confident | 84.9 | Confident | 101 Ų | 101 | 93 Ų | 93 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 132.9 | -178.2 | -179.6 | -166.8 | 164 | -155.4 | 0 | 109.9 | M85 D86 V95 E100 | M85-K93 WeakPolarHBondContact CA-O 3.36Å; D86-K93 PolarHBondContact N-O 2.83Å; D86-K93 PolarHBondContact O-N 3.46Å; K93-V95 PolarHBondContact O-N 2.97Å; K93-E100 IonicContact NZ-OE1 2.85Å; K93-E100 PolarHBondContact NZ-OE1 2.98Å; K93-E100 IonicContact NZ-OE2 3.8Å; K93-E100 PolarHBondContact NZ-OE2 2.99Å |
| 94 | I | 88.5 | Confident | 85 | Confident | 93 Ų | 93 | 91 Ų | 91 | 48% | 0.477 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 122 | 168.6 | -60 | 163.3 | 0 | 0 | 0 | 108.3 | V83 M85 T96 | V83-I94 HydrophobicContact CB-CG2 4.01Å; V83-I94 HydrophobicContact CG1-CG2 4.47Å; V83-I94 HydrophobicContact CG2-CG1 4.26Å; V83-I94 HydrophobicContact CG2-CG2 3.97Å; M85-I94 HydrophobicContact CE-CG1 4.09Å; M85-I94 WeakPolarHBondContact SD-CA 3.19Å; M85-I94 HydrophobicContact SD-CB 3.89Å; M85-I94 HydrophobicContact SD-CG1 3.23Å; M85-I94 WeakPolarHBondContact SD-CG1 3.49Å; I94-T96 HydrophobicContact CG2-CG2 4.25Å |
| 95 | V | 85.1 | Confident | 85 | Confident | 6 Ų | 6 | 93 Ų | 93 | 4% | 0.036 | 48% | 0.483 | C | S | . | . | trans | -88.6 | 114 | 177.7 | -175.5 | 0 | 0 | 0 | 0 | 108 | P84 D86 K93 E100 T101 L104 | P84-V95 HydrophobicContact CB-CB 4.36Å; P84-V95 HydrophobicContact CG-CB 4.25Å; P84-V95 WeakPolarHBondContact CG-O 3.36Å; P84-V95 PolarHBondContact O-N 3.39Å; D86-V95 HydrophobicContact CB-CG2 3.71Å; K93-V95 PolarHBondContact O-N 2.97Å; V95-E100 HydrophobicContact CG1-CB 3.8Å; V95-E100 HydrophobicContact CG1-CG 3.72Å; V95-T101 WeakPolarHBondContact CG1-OG1 3.49Å; V95-L104 HydrophobicContact CG1-CD1 4.21Å; V95-L104 HydrophobicContact CG2-CD1 3.62Å | ||
| 96 | T | 87.3 | Confident | 85.1 | Confident | 122 Ų | 122 | 94 Ų | 94 | 75% | 0.748 | 49% | 0.487 | S | S | * | . | trans | -100.5 | -28.4 | -178.1 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | I94 P98 | I94-T96 HydrophobicContact CG2-CG2 4.25Å; T96-P98 WeakPolarHBondContact O-CD 3.44Å | ||
| 97 | D | 87.5 | Confident | 85.3 | Confident | 73 Ų | 73 | 97.4 Ų | 97.4 | 39% | 0.39 | 50% | 0.502 | S | S | . | . | trans | -78.3 | 122.7 | 179.8 | -177 | -1.1 | 0 | 0 | 0 | 110.8 | K99 E100 T101 | D97-K99 PolarHBondContact O-N 3.35Å; D97-K99 PolarHBondContact OD1-N 3.2Å; D97-E100 HydrophobicContact CB-CB 3.87Å; D97-E100 PolarHBondContact O-N 3.49Å; D97-T101 PolarHBondContact O-N 2.88Å; D97-T101 PolarHBondContact O-OG1 3.39Å | ||
| 98 | P | 87 | Confident | 85 | Confident | 87 Ų | 87 | 94.1 Ų | 94.1 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58 | -31.4 | 174.5 | -25.7 | 35.2 | 0 | 0 | 0 | 113.9 | T96 R102 | T96-P98 WeakPolarHBondContact O-CD 3.44Å; P98-R102 WeakPolarHBondContact O-CG 3.43Å; P98-R102 PolarHBondContact O-N 2.7Å; P98-R102 VanDerWaalsContact O-N 3.16Å |
| 99 | K | 88.9 | Confident | 85 | Confident | 150 Ų | 150 | 95.7 Ų | 95.7 | 65% | 0.652 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -71.1 | -44.3 | 177.4 | -67.2 | -178.6 | 179.8 | 179.1 | 0 | 111.1 | D97 T101 R102 N103 | D97-K99 PolarHBondContact O-N 3.35Å; D97-K99 PolarHBondContact OD1-N 3.2Å; K99-T101 VanDerWaalsContact C-N 3.3Å; K99-T101 PolarHBondContact O-N 3.01Å; K99-R102 PolarHBondContact O-N 3.11Å; K99-N103 VanDerWaalsContact O-CG 3.31Å; K99-N103 PolarHBondContact O-N 2.82Å; K99-N103 PolarHBondContact O-ND2 3.09Å |
| 100 | E | 87.3 | Confident | 85 | Confident | 55 Ų | 55 | 97.1 Ų | 97.1 | 26% | 0.257 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 173.8 | -170.2 | 179.6 | 177.6 | 0 | 0 | 110.4 | K93 V95 D97 R102 N103 L104 | K93-E100 IonicContact NZ-OE1 2.85Å; K93-E100 PolarHBondContact NZ-OE1 2.98Å; K93-E100 IonicContact NZ-OE2 3.8Å; K93-E100 PolarHBondContact NZ-OE2 2.99Å; V95-E100 HydrophobicContact CG1-CB 3.8Å; V95-E100 HydrophobicContact CG1-CG 3.72Å; D97-E100 HydrophobicContact CB-CB 3.87Å; D97-E100 PolarHBondContact O-N 3.49Å; E100-R102 PolarHBondContact O-N 3.25Å; E100-N103 PolarHBondContact O-N 2.89Å; E100-L104 HydrophobicContact CG-CD1 4.12Å; E100-L104 WeakPolarHBondContact O-CG 3.39Å; E100-L104 PolarHBondContact O-N 3.35Å |
| 101 | T | 81.7 | Confident | 84.9 | Confident | 45 Ų | 45 | 94.7 Ų | 94.7 | 28% | 0.276 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 177.7 | -54.6 | 0 | 0 | 0 | 0 | 112.6 | P84 V95 D97 K99 L105 | P84-T101 HydrophobicContact CB-CG2 4Å; P84-T101 HydrophobicContact CG-CG2 3.97Å; V95-T101 WeakPolarHBondContact CG1-OG1 3.49Å; D97-T101 PolarHBondContact O-N 2.88Å; D97-T101 PolarHBondContact O-OG1 3.39Å; K99-T101 VanDerWaalsContact C-N 3.3Å; K99-T101 PolarHBondContact O-N 3.01Å; T101-L105 PolarHBondContact O-N 2.86Å; T101-L105 VanDerWaalsContact O-N 3.11Å |
| 102 | R | 86.7 | Confident | 84.5 | Confident | 170 Ų | 170 | 89.9 Ų | 89.9 | 64% | 0.642 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.4 | -45.4 | 177.6 | -73.6 | -178.4 | -166.1 | 162.6 | 4.2 | 112 | P98 K99 E100 L104 L105 E106 | P98-R102 WeakPolarHBondContact O-CG 3.43Å; P98-R102 PolarHBondContact O-N 2.7Å; P98-R102 VanDerWaalsContact O-N 3.16Å; K99-R102 PolarHBondContact O-N 3.11Å; E100-R102 PolarHBondContact O-N 3.25Å; R102-L104 VanDerWaalsContact C-N 3.34Å; R102-L104 PolarHBondContact O-N 3.34Å; R102-L105 PolarHBondContact O-N 2.86Å; R102-E106 WeakPolarHBondContact O-CG 3.3Å; R102-E106 PolarHBondContact O-N 3.38Å |
| 103 | N | 87.5 | Confident | 84.2 | Confident | 101 Ų | 101 | 92.6 Ų | 92.6 | 54% | 0.54 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | -179.9 | -69.3 | -14.8 | 0 | 0 | 0 | 111.5 | K99 E100 E106 E107 | K99-N103 VanDerWaalsContact O-CG 3.31Å; K99-N103 PolarHBondContact O-N 2.82Å; K99-N103 PolarHBondContact O-ND2 3.09Å; E100-N103 PolarHBondContact O-N 2.89Å; N103-E106 PolarHBondContact O-N 3.36Å; N103-E107 WeakPolarHBondContact O-CB 3.32Å; N103-E107 PolarHBondContact O-N 3.23Å |
| 104 | L | 82.9 | Confident | 83.8 | Confident | 35 Ų | 35 | 92.7 Ų | 92.7 | 18% | 0.183 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 176.6 | -71.2 | 171.5 | 0 | 0 | 0 | 111.9 | D86 V95 E100 R102 E107 E108 | D86-L104 HydrophobicContact CB-CD1 4.04Å; V95-L104 HydrophobicContact CG1-CD1 4.21Å; V95-L104 HydrophobicContact CG2-CD1 3.62Å; E100-L104 HydrophobicContact CG-CD1 4.12Å; E100-L104 WeakPolarHBondContact O-CG 3.39Å; E100-L104 PolarHBondContact O-N 3.35Å; R102-L104 VanDerWaalsContact C-N 3.34Å; R102-L104 PolarHBondContact O-N 3.34Å; L104-E107 PolarHBondContact O-N 3.12Å; L104-E108 WeakPolarHBondContact O-CG 3.31Å; L104-E108 PolarHBondContact O-N 3.1Å |
| 105 | L | 81.7 | Confident | 83.2 | Confident | 104 Ų | 104 | 94.1 Ų | 94.1 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 176.4 | -178 | 65.4 | 0 | 0 | 0 | 111.8 | T101 R102 E107 E108 Q109 | T101-L105 PolarHBondContact O-N 2.86Å; T101-L105 VanDerWaalsContact O-N 3.11Å; R102-L105 PolarHBondContact O-N 2.86Å; L105-E107 VanDerWaalsContact C-N 3.32Å; L105-E107 PolarHBondContact O-N 3.33Å; L105-E108 PolarHBondContact O-N 2.92Å; L105-Q109 WeakPolarHBondContact O-CB 3.39Å; L105-Q109 WeakPolarHBondContact O-CG 3.3Å; L105-Q109 PolarHBondContact O-N 2.99Å |
| 106 | E | 87.3 | Confident | 82.6 | Confident | 92 Ų | 92 | 99.2 Ų | 99.2 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 176.4 | -74.3 | -180 | -164.1 | 0 | 0 | 111.7 | R102 N103 Q109 R110 | R102-E106 WeakPolarHBondContact O-CG 3.3Å; R102-E106 PolarHBondContact O-N 3.38Å; N103-E106 PolarHBondContact O-N 3.36Å; E106-Q109 PolarHBondContact O-N 3.28Å; E106-R110 WeakPolarHBondContact O-CB 3.39Å; E106-R110 WeakPolarHBondContact O-CG 3.35Å; E106-R110 PolarHBondContact O-N 2.63Å |
| 107 | E | 85.7 | Confident | 81.7 | Confident | 93 Ų | 93 | 98.2 Ų | 98.2 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 177 | -163.8 | -173.8 | 150.2 | 0 | 0 | 112.1 | N103 L104 L105 Q109 R110 R111 | N103-E107 WeakPolarHBondContact O-CB 3.32Å; N103-E107 PolarHBondContact O-N 3.23Å; L104-E107 PolarHBondContact O-N 3.12Å; L105-E107 VanDerWaalsContact C-N 3.32Å; L105-E107 PolarHBondContact O-N 3.33Å; E107-Q109 VanDerWaalsContact C-N 3.34Å; E107-R110 PolarHBondContact O-N 3.07Å; E107-R111 WeakPolarHBondContact O-CB 3.45Å; E107-R111 PolarHBondContact O-N 3.09Å; E107-R111 IonicContact OE1-NE 3.54Å; E107-R111 IonicContact OE1-NH2 3.93Å |
| 108 | E | 78.3 | Confident | 80.8 | Confident | 90 Ų | 90 | 97.5 Ų | 97.5 | 42% | 0.421 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 172.3 | -74.4 | -60.6 | 151.1 | 0 | 0 | 111.5 | L104 L105 R111 A112 | L104-E108 WeakPolarHBondContact O-CG 3.31Å; L104-E108 PolarHBondContact O-N 3.1Å; L105-E108 PolarHBondContact O-N 2.92Å; E108-R111 PolarHBondContact O-N 2.91Å; E108-R111 IonicContact OE1-CZ 3.18Å; E108-R111 IonicContact OE1-NH1 3.9Å; E108-R111 PolarHBondContact OE1-NH1 2.9Å; E108-R111 IonicContact OE1-NH2 3.64Å; E108-R111 PolarHBondContact OE1-NH2 2.96Å; E108-R111 IonicContact OE2-CZ 3.56Å; E108-R111 IonicContact OE2-NH1 3.53Å; E108-R111 PolarHBondContact OE2-NH1 3.12Å; E108-R111 VanDerWaalsContact OE2-NH1 3.16Å; E108-A112 VanDerWaalsContact O-CB 3.26Å; E108-A112 WeakPolarHBondContact O-CB 3.33Å; E108-A112 PolarHBondContact O-N 3.42Å |
| 109 | Q | 81 | Confident | 79.7 | Confident | 113 Ų | 113 | 96.2 Ų | 96.2 | 53% | 0.528 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 175.1 | -76.6 | -178.4 | -1 | 0 | 0 | 111.7 | L105 E106 E107 A112 T113 | L105-Q109 WeakPolarHBondContact O-CB 3.39Å; L105-Q109 WeakPolarHBondContact O-CG 3.3Å; L105-Q109 PolarHBondContact O-N 2.99Å; E106-Q109 PolarHBondContact O-N 3.28Å; E107-Q109 VanDerWaalsContact C-N 3.34Å; Q109-A112 PolarHBondContact O-N 2.87Å; Q109-T113 VanDerWaalsContact O-CB 3.26Å; Q109-T113 WeakPolarHBondContact O-CB 3.48Å; Q109-T113 PolarHBondContact O-N 3.06Å; Q109-T113 PolarHBondContact O-OG1 2.74Å |
| 110 | R | 85.5 | Confident | 78.5 | Confident | 175 Ų | 175 | 93 Ų | 93 | 66% | 0.66 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.8 | -47.7 | 174.6 | -75.4 | 178 | -172.2 | 160.4 | 8.6 | 111.2 | E106 E107 A112 T113 E114 | E106-R110 WeakPolarHBondContact O-CB 3.39Å; E106-R110 WeakPolarHBondContact O-CG 3.35Å; E106-R110 PolarHBondContact O-N 2.63Å; E107-R110 PolarHBondContact O-N 3.07Å; R110-A112 PolarHBondContact O-N 3.45Å; R110-T113 PolarHBondContact O-N 3.24Å; R110-E114 WeakPolarHBondContact O-CB 3.39Å; R110-E114 PolarHBondContact O-N 2.81Å |
| 111 | R | 80.6 | Confident | 77.1 | Confident | 91 Ų | 91 | 95.4 Ų | 95.4 | 34% | 0.343 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 176.9 | -78.7 | -166.4 | -97.3 | 119.5 | -2.4 | 111.7 | E107 E108 T113 E114 L115 | E107-R111 WeakPolarHBondContact O-CB 3.45Å; E107-R111 PolarHBondContact O-N 3.09Å; E107-R111 IonicContact OE1-NE 3.54Å; E107-R111 IonicContact OE1-NH2 3.93Å; E108-R111 PolarHBondContact O-N 2.91Å; E108-R111 IonicContact OE1-CZ 3.18Å; E108-R111 IonicContact OE1-NH1 3.9Å; E108-R111 PolarHBondContact OE1-NH1 2.9Å; E108-R111 IonicContact OE1-NH2 3.64Å; E108-R111 PolarHBondContact OE1-NH2 2.96Å; E108-R111 IonicContact OE2-CZ 3.56Å; E108-R111 IonicContact OE2-NH1 3.53Å; E108-R111 PolarHBondContact OE2-NH1 3.12Å; E108-R111 VanDerWaalsContact OE2-NH1 3.16Å; R111-T113 PolarHBondContact O-N 3.37Å; R111-E114 PolarHBondContact O-N 3.11Å; R111-L115 WeakPolarHBondContact O-CB 3.16Å; R111-L115 VanDerWaalsContact O-CG 3.27Å; R111-L115 WeakPolarHBondContact O-CG 3.49Å; R111-L115 PolarHBondContact O-N 3.47Å |
| 112 | A | 72.6 | Confident | 76 | Confident | 57 Ų | 57 | 96.6 Ų | 96.6 | 47% | 0.471 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | E108 Q109 R110 L115 F116 | E108-A112 VanDerWaalsContact O-CB 3.26Å; E108-A112 WeakPolarHBondContact O-CB 3.33Å; E108-A112 PolarHBondContact O-N 3.42Å; Q109-A112 PolarHBondContact O-N 2.87Å; R110-A112 PolarHBondContact O-N 3.45Å; A112-L115 PolarHBondContact O-N 3.05Å; A112-F116 WeakPolarHBondContact O-CB 3.23Å; A112-F116 PolarHBondContact O-N 3.06Å |
| 113 | T | 77.2 | Confident | 74.5 | Confident | 92 Ų | 92 | 91.1 Ų | 91.1 | 56% | 0.564 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.1 | -42.4 | 177.7 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | Q109 R110 R111 F116 R117 | Q109-T113 VanDerWaalsContact O-CB 3.26Å; Q109-T113 WeakPolarHBondContact O-CB 3.48Å; Q109-T113 PolarHBondContact O-N 3.06Å; Q109-T113 PolarHBondContact O-OG1 2.74Å; R110-T113 PolarHBondContact O-N 3.24Å; R111-T113 PolarHBondContact O-N 3.37Å; T113-F116 PolarHBondContact O-N 3.39Å; T113-R117 WeakPolarHBondContact O-CB 3.38Å; T113-R117 PolarHBondContact O-N 3.31Å |
| 114 | E | 80 | Confident | 72.9 | Confident | 103 Ų | 103 | 93.9 Ų | 93.9 | 48% | 0.481 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67 | -43.4 | 177.6 | -178.9 | 133.6 | -128.9 | 0 | 0 | 112.2 | R110 R111 F116 R117 N118 | R110-E114 WeakPolarHBondContact O-CB 3.39Å; R110-E114 PolarHBondContact O-N 2.81Å; R111-E114 PolarHBondContact O-N 3.11Å; E114-F116 VanDerWaalsContact C-N 3.3Å; E114-F116 PolarHBondContact O-N 2.92Å; E114-R117 PolarHBondContact O-N 3.39Å; E114-R117 IonicContact OE1-CZ 2.8Å; E114-R117 IonicContact OE1-NH2 3.92Å; E114-R117 PolarHBondContact OE1-NH2 3.41Å; E114-N118 WeakPolarHBondContact O-CB 3.29Å; E114-N118 PolarHBondContact O-N 2.79Å; E114-N118 PolarHBondContact O-ND2 2.76Å |
| 115 | L | 74.4 | Confident | 71.6 | Confident | 122 Ų | 122 | 96.8 Ų | 96.8 | 64% | 0.639 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.8 | -42.7 | 172.9 | -73.3 | 176 | 0 | 0 | 0 | 111.5 | R111 A112 N118 L119 | R111-L115 WeakPolarHBondContact O-CB 3.16Å; R111-L115 VanDerWaalsContact O-CG 3.27Å; R111-L115 WeakPolarHBondContact O-CG 3.49Å; R111-L115 PolarHBondContact O-N 3.47Å; A112-L115 PolarHBondContact O-N 3.05Å; L115-N118 PolarHBondContact O-N 2.87Å; L115-L119 VanDerWaalsContact O-CB 3.31Å; L115-L119 WeakPolarHBondContact O-CB 3.1Å; L115-L119 PolarHBondContact O-N 2.89Å |
| 116 | F | 72.5 | Confident | 70.5 | Confident | 114 Ų | 114 | 94.8 Ų | 94.8 | 50% | 0.5 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 175.8 | -175.2 | -110.5 | 0 | 0 | 0 | 111.4 | A112 T113 E114 N118 L119 L120 | A112-F116 WeakPolarHBondContact O-CB 3.23Å; A112-F116 PolarHBondContact O-N 3.06Å; T113-F116 PolarHBondContact O-N 3.39Å; E114-F116 VanDerWaalsContact C-N 3.3Å; E114-F116 PolarHBondContact O-N 2.92Å; F116-N118 PolarHBondContact O-N 2.86Å; F116-L119 PolarHBondContact O-N 2.84Å; F116-L120 HydrophobicContact CD1-CD1 3.9Å; F116-L120 HydrophobicContact CD1-CG 4.31Å; F116-L120 HydrophobicContact CE1-CD1 3.4Å; F116-L120 VanDerWaalsContact CE1-CD1 3.4Å; F116-L120 HydrophobicContact CE1-CG 4.03Å; F116-L120 HydrophobicContact CE2-CD2 4.34Å; F116-L120 HydrophobicContact CE2-CG 4.36Å; F116-L120 HydrophobicContact CZ-CD1 3.77Å; F116-L120 HydrophobicContact CZ-CD2 4.1Å; F116-L120 HydrophobicContact CZ-CG 4.05Å; F116-L120 WeakPolarHBondContact O-CB 3.35Å; F116-L120 WeakPolarHBondContact O-CG 3.3Å; F116-L120 PolarHBondContact O-N 3.21Å |
| 117 | R | 69.8 | Low | 69.2 | Low | 100 Ų | 100 | 92 Ų | 92 | 38% | 0.377 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 176 | -174.9 | -172.2 | 64.9 | 68.4 | -1.1 | 111.9 | T113 E114 L119 L120 Q121 | T113-R117 WeakPolarHBondContact O-CB 3.38Å; T113-R117 PolarHBondContact O-N 3.31Å; E114-R117 PolarHBondContact O-N 3.39Å; E114-R117 IonicContact OE1-CZ 2.8Å; E114-R117 IonicContact OE1-NH2 3.92Å; E114-R117 PolarHBondContact OE1-NH2 3.41Å; R117-L119 VanDerWaalsContact C-N 3.35Å; R117-L120 PolarHBondContact O-N 2.85Å; R117-Q121 VanDerWaalsContact NH1-OE1 3.1Å; R117-Q121 WeakPolarHBondContact O-CG 3.46Å; R117-Q121 PolarHBondContact O-N 3Å |
| 118 | N | 68.4 | Low | 67.9 | Low | 58 Ų | 58 | 96.2 Ų | 96.2 | 31% | 0.31 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 179.4 | -71.2 | -21.5 | 0 | 0 | 0 | 111.1 | E114 L115 F116 L120 Q121 E122 | E114-N118 WeakPolarHBondContact O-CB 3.29Å; E114-N118 PolarHBondContact O-N 2.79Å; E114-N118 PolarHBondContact O-ND2 2.76Å; L115-N118 PolarHBondContact O-N 2.87Å; F116-N118 PolarHBondContact O-N 2.86Å; N118-L120 VanDerWaalsContact C-N 3.33Å; N118-L120 PolarHBondContact O-N 2.87Å; N118-Q121 PolarHBondContact O-N 2.64Å; N118-E122 WeakPolarHBondContact O-CG 3.34Å; N118-E122 PolarHBondContact O-N 3.18Å |
| 119 | L | 63.9 | Low | 67.2 | Low | 60 Ų | 60 | 97.1 Ų | 97.1 | 31% | 0.314 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 174.3 | -175.6 | 66.6 | 0 | 0 | 0 | 111.9 | L115 F116 R117 T123 | L115-L119 VanDerWaalsContact O-CB 3.31Å; L115-L119 WeakPolarHBondContact O-CB 3.1Å; L115-L119 PolarHBondContact O-N 2.89Å; F116-L119 PolarHBondContact O-N 2.84Å; R117-L119 VanDerWaalsContact C-N 3.35Å; L119-T123 WeakPolarHBondContact O-CB 3.41Å; L119-T123 VanDerWaalsContact O-CG2 3.27Å; L119-T123 WeakPolarHBondContact O-CG2 3.29Å; L119-T123 PolarHBondContact O-N 2.9Å; L119-T123 PolarHBondContact O-OG1 2.81Å |
| 120 | L | 62.9 | Low | 66.8 | Low | 82 Ų | 82 | 91.9 Ų | 91.9 | 43% | 0.429 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 174.5 | -71.7 | -172.9 | 0 | 0 | 0 | 112 | F116 R117 N118 T123 K124 | F116-L120 HydrophobicContact CD1-CD1 3.9Å; F116-L120 HydrophobicContact CD1-CG 4.31Å; F116-L120 HydrophobicContact CE1-CD1 3.4Å; F116-L120 VanDerWaalsContact CE1-CD1 3.4Å; F116-L120 HydrophobicContact CE1-CG 4.03Å; F116-L120 HydrophobicContact CE2-CD2 4.34Å; F116-L120 HydrophobicContact CE2-CG 4.36Å; F116-L120 HydrophobicContact CZ-CD1 3.77Å; F116-L120 HydrophobicContact CZ-CD2 4.1Å; F116-L120 HydrophobicContact CZ-CG 4.05Å; F116-L120 WeakPolarHBondContact O-CB 3.35Å; F116-L120 WeakPolarHBondContact O-CG 3.3Å; F116-L120 PolarHBondContact O-N 3.21Å; R117-L120 PolarHBondContact O-N 2.85Å; N118-L120 VanDerWaalsContact C-N 3.33Å; N118-L120 PolarHBondContact O-N 2.87Å; L120-T123 WeakPolarHBondContact CA-OG1 3.3Å; L120-T123 PolarHBondContact O-OG1 2.95Å; L120-K124 VanDerWaalsContact O-CB 3.26Å; L120-K124 WeakPolarHBondContact O-CB 3.28Å; L120-K124 PolarHBondContact O-N 2.84Å |
| 121 | Q | 57.9 | Low | 66.1 | Low | 106 Ų | 106 | 87.3 Ų | 87.3 | 50% | 0.495 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.2 | -44.2 | 176 | -75.5 | -178.8 | 1.8 | 0 | 0 | 112.4 | R117 N118 T123 K124 T125 | R117-Q121 VanDerWaalsContact NH1-OE1 3.1Å; R117-Q121 WeakPolarHBondContact O-CG 3.46Å; R117-Q121 PolarHBondContact O-N 3Å; N118-Q121 PolarHBondContact O-N 2.64Å; Q121-T123 VanDerWaalsContact C-N 3.3Å; Q121-T123 PolarHBondContact O-N 2.91Å; Q121-K124 PolarHBondContact O-N 2.8Å; Q121-T125 PolarHBondContact O-N 2.84Å; Q121-T125 PolarHBondContact O-OG1 2.99Å; Q121-T125 VanDerWaalsContact O-OG1 3.06Å |
| 122 | E | 59.5 | Low | 66 | Low | 71 Ų | 71 | 86.7 Ų | 86.7 | 33% | 0.332 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 174.7 | -77.7 | -179.3 | 177.8 | 0 | 0 | 111.7 | N118 T125 R126 K190 | N118-E122 WeakPolarHBondContact O-CG 3.34Å; N118-E122 PolarHBondContact O-N 3.18Å; E122-T125 PolarHBondContact O-OG1 3.18Å; E122-T125 VanDerWaalsContact O-OG1 3.05Å; E122-R126 VanDerWaalsContact O-CG 3.32Å; E122-R126 WeakPolarHBondContact O-CG 3.31Å; E122-R126 PolarHBondContact O-N 3.32Å; E122-K190 IonicContact OE2-NZ 3.37Å |
| 123 | T | 55.3 | Low | 66.8 | Low | 55 Ų | 55 | 86.2 Ų | 86.2 | 34% | 0.337 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -72.8 | -35.6 | 177.5 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | L119 L120 Q121 S127 | L119-T123 WeakPolarHBondContact O-CB 3.41Å; L119-T123 VanDerWaalsContact O-CG2 3.27Å; L119-T123 WeakPolarHBondContact O-CG2 3.29Å; L119-T123 PolarHBondContact O-N 2.9Å; L119-T123 PolarHBondContact O-OG1 2.81Å; L120-T123 WeakPolarHBondContact CA-OG1 3.3Å; L120-T123 PolarHBondContact O-OG1 2.95Å; Q121-T123 VanDerWaalsContact C-N 3.3Å; Q121-T123 PolarHBondContact O-N 2.91Å; T123-S127 VanDerWaalsContact O-CB 3.28Å; T123-S127 WeakPolarHBondContact O-CB 3.32Å; T123-S127 PolarHBondContact O-N 3.39Å |
| 124 | K | 54.7 | Low | 67.4 | Low | 158 Ų | 158 | 84.4 Ų | 84.4 | 69% | 0.687 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -67.3 | -46.6 | 178.4 | -169.9 | 174.2 | -176.4 | 178.3 | 0 | 112.5 | L120 Q121 R126 S127 Y128 | L120-K124 VanDerWaalsContact O-CB 3.26Å; L120-K124 WeakPolarHBondContact O-CB 3.28Å; L120-K124 PolarHBondContact O-N 2.84Å; Q121-K124 PolarHBondContact O-N 2.8Å; K124-R126 PolarHBondContact O-N 3.15Å; K124-S127 WeakPolarHBondContact CA-OG 3.27Å; K124-S127 PolarHBondContact O-N 3.41Å; K124-S127 PolarHBondContact O-OG 3.39Å; K124-Y128 PolarHBondContact O-N 2.9Å |
| 125 | T | 55.2 | Low | 68.1 | Low | 96 Ų | 96 | 80.1 Ų | 80.1 | 59% | 0.589 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59 | -48 | 177.8 | 47.9 | 0 | 0 | 0 | 0 | 111.5 | Q121 E122 S127 Y128 | Q121-T125 PolarHBondContact O-N 2.84Å; Q121-T125 PolarHBondContact O-OG1 2.99Å; Q121-T125 VanDerWaalsContact O-OG1 3.06Å; E122-T125 PolarHBondContact O-OG1 3.18Å; E122-T125 VanDerWaalsContact O-OG1 3.05Å; T125-S127 VanDerWaalsContact C-N 3.3Å; T125-S127 PolarHBondContact O-N 3.46Å; T125-Y128 PolarHBondContact O-N 3.25Å |
| 126 | R | 57.8 | Low | 69 | Low | 63 Ų | 63 | 74.9 Ų | 74.9 | 24% | 0.238 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.2 | -30.3 | 176.3 | -68.3 | 177.2 | 167.2 | -141.4 | -4.7 | 113.4 | E122 K124 Y128 N130 V198 Y200 | E122-R126 VanDerWaalsContact O-CG 3.32Å; E122-R126 WeakPolarHBondContact O-CG 3.31Å; E122-R126 PolarHBondContact O-N 3.32Å; K124-R126 PolarHBondContact O-N 3.15Å; R126-Y128 VanDerWaalsContact C-N 3.28Å; R126-Y128 PolarHBondContact O-N 2.87Å; R126-N130 PolarHBondContact O-ND2 2.97Å; R126-V198 VanDerWaalsContact NH1-CB 3.32Å; R126-V198 PolarHBondContact NH1-O 2.91Å; R126-V198 PolarHBondContact NH2-O 2.83Å; R126-Y200 WeakPolarHBondContact CD-OH 3.43Å; R126-Y200 VanDerWaalsContact NH1-CE2 3.32Å; R126-Y200 PolarHBondContact NH1-OH 3.18Å |
| 127 | S | 59.7 | Low | 69.8 | Low | 32 Ų | 32 | 70.2 Ų | 70.2 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.9 | -33.7 | 177.9 | 73 | 0 | 0 | 0 | 0 | 112.3 | T123 K124 T125 E129 N130 I131 | T123-S127 VanDerWaalsContact O-CB 3.28Å; T123-S127 WeakPolarHBondContact O-CB 3.32Å; T123-S127 PolarHBondContact O-N 3.39Å; K124-S127 WeakPolarHBondContact CA-OG 3.27Å; K124-S127 PolarHBondContact O-N 3.41Å; K124-S127 PolarHBondContact O-OG 3.39Å; T125-S127 VanDerWaalsContact C-N 3.3Å; T125-S127 PolarHBondContact O-N 3.46Å; S127-E129 PolarHBondContact O-N 3.36Å; S127-N130 PolarHBondContact O-N 2.63Å; S127-I131 WeakPolarHBondContact O-CB 3.24Å; S127-I131 WeakPolarHBondContact O-CD1 3.44Å; S127-I131 WeakPolarHBondContact O-CG1 3.34Å; S127-I131 PolarHBondContact O-N 3.21Å |
| 128 | Y | 58.6 | Low | 70.7 | Confident | 183 Ų | 183 | 69 Ų | 69 | 72% | 0.718 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.1 | -41.8 | -173.9 | -150.5 | -89.3 | 0 | 0 | 0 | 112.8 | K124 T125 R126 N130 I131 A132 | K124-Y128 PolarHBondContact O-N 2.9Å; T125-Y128 PolarHBondContact O-N 3.25Å; R126-Y128 VanDerWaalsContact C-N 3.28Å; R126-Y128 PolarHBondContact O-N 2.87Å; Y128-N130 VanDerWaalsContact C-N 3.26Å; Y128-N130 PolarHBondContact O-N 3.25Å; Y128-I131 PolarHBondContact O-N 3.26Å; Y128-A132 PolarHBondContact O-N 3.03Å |
| 129 | E | 64.6 | Low | 71.6 | Confident | 109 Ų | 109 | 72.4 Ų | 72.4 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.7 | -35.4 | 175.9 | -66.7 | 176.8 | 176.4 | 0 | 0 | 111.8 | S127 Q133 | S127-E129 PolarHBondContact O-N 3.36Å; E129-Q133 WeakPolarHBondContact O-CG 3.34Å |
| 130 | N | 70.8 | Confident | 72.9 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72.9 | -42.6 | 177 | -63 | -42.7 | 0 | 0 | 0 | 111.7 | R126 S127 Y128 A132 Q133 F136 L212 | R126-N130 PolarHBondContact O-ND2 2.97Å; S127-N130 PolarHBondContact O-N 2.63Å; Y128-N130 VanDerWaalsContact C-N 3.26Å; Y128-N130 PolarHBondContact O-N 3.25Å; N130-A132 PolarHBondContact O-N 3.04Å; N130-Q133 WeakPolarHBondContact O-CB 3.18Å; N130-Q133 PolarHBondContact O-N 2.83Å; N130-F136 HydrophobicContact CB-CD1 4.33Å; N130-F136 HydrophobicContact CB-CD2 4.06Å; N130-F136 HydrophobicContact CB-CE1 4.37Å; N130-F136 HydrophobicContact CB-CE2 4.11Å; N130-F136 HydrophobicContact CB-CG 4.17Å; N130-F136 HydrophobicContact CB-CZ 4.27Å; N130-F136 WeakPolarHBondContact O-CB 3.39Å; N130-F136 WeakPolarHBondContact O-CD1 3.31Å; N130-F136 VanDerWaalsContact O-CG 3.29Å; N130-F136 WeakPolarHBondContact O-CG 3.36Å; N130-L212 HydrophobicContact CB-CD1 4.22Å; N130-L212 VanDerWaalsContact OD1-CB 3.31Å; N130-L212 WeakPolarHBondContact OD1-CB 3.27Å; N130-L212 WeakPolarHBondContact OD1-CD1 3.35Å; N130-L212 WeakPolarHBondContact OD1-CG 3.37Å |
| 131 | I | 71 | Confident | 74.3 | Confident | 78 Ų | 78 | 69 Ų | 69 | 40% | 0.4 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.3 | -30.7 | -179.8 | -70.2 | 161.1 | 0 | 0 | 0 | 111.7 | S127 Y128 Q133 F136 | S127-I131 WeakPolarHBondContact O-CB 3.24Å; S127-I131 WeakPolarHBondContact O-CD1 3.44Å; S127-I131 WeakPolarHBondContact O-CG1 3.34Å; S127-I131 PolarHBondContact O-N 3.21Å; Y128-I131 PolarHBondContact O-N 3.26Å; I131-Q133 PolarHBondContact O-N 2.98Å; I131-F136 HydrophobicContact CG1-CD1 4.36Å; I131-F136 HydrophobicContact CG1-CE1 3.94Å |
| 132 | A | 80.1 | Confident | 76 | Confident | 78 Ų | 78 | 71.8 Ų | 71.8 | 65% | 0.645 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -13 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y128 N130 | Y128-A132 PolarHBondContact O-N 3.03Å; N130-A132 PolarHBondContact O-N 3.04Å |
| 133 | Q | 88.3 | Confident | 77.7 | Confident | 48 Ų | 48 | 74.5 Ų | 74.5 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -84.5 | 132 | -175.2 | -61.4 | -62 | -47.4 | 0 | 0 | 111.6 | E129 N130 I131 W135 F136 I213 | E129-Q133 WeakPolarHBondContact O-CG 3.34Å; N130-Q133 WeakPolarHBondContact O-CB 3.18Å; N130-Q133 PolarHBondContact O-N 2.83Å; I131-Q133 PolarHBondContact O-N 2.98Å; Q133-W135 HydrophobicContact CB-CD2 3.84Å; Q133-W135 VanDerWaalsContact CB-CE2 3.46Å; Q133-W135 HydrophobicContact CB-CE3 4.26Å; Q133-W135 HydrophobicContact CB-CG 4.36Å; Q133-W135 HydrophobicContact CB-CH2 4.03Å; Q133-W135 HydrophobicContact CB-CZ2 3.61Å; Q133-W135 HydrophobicContact CB-CZ3 4.33Å; Q133-W135 HydrophobicContact CG-CH2 3.91Å; Q133-W135 HydrophobicContact CG-CZ2 3.44Å; Q133-W135 VanDerWaalsContact CG-CZ2 3.44Å; Q133-W135 PolarHBondContact O-N 3.35Å; Q133-W135 VanDerWaalsContact O-N 3.15Å; Q133-F136 HydrophobicContact CB-CB 4.08Å; Q133-F136 WeakPolarHBondContact O-CB 3.46Å; Q133-F136 PolarHBondContact O-N 2.79Å; Q133-I213 HydrophobicContact CG-CD1 4.41Å; Q133-I213 HydrophobicContact CG-CG1 4.11Å |
| 134 | P | 90.8 | Very high | 79.5 | Confident | 54 Ų | 54 | 73.5 Ų | 73.5 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -23.7 | -175.2 | 27.3 | -35.7 | 0 | 0 | 0 | 113.2 | Y234 T236 | P134-Y234 HydrophobicContact CB-CD2 4.34Å; P134-Y234 HydrophobicContact CB-CE2 3.74Å; P134-Y234 HydrophobicContact CG-CD2 4.34Å; P134-Y234 HydrophobicContact CG-CE2 3.62Å; P134-T236 HydrophobicContact CB-CG2 4.35Å; P134-T236 WeakPolarHBondContact O-CA 3.49Å |
| 135 | W | 93.3 | Very high | 81.4 | Confident | 13 Ų | 13 | 66 Ų | 66 | 5% | 0.049 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -3.8 | 178 | 48.7 | -101.5 | 0 | 0 | 0 | 113.6 | Q133 H137 F159 I161 L212 I213 V216 Y234 | Q133-W135 HydrophobicContact CB-CD2 3.84Å; Q133-W135 VanDerWaalsContact CB-CE2 3.46Å; Q133-W135 HydrophobicContact CB-CE3 4.26Å; Q133-W135 HydrophobicContact CB-CG 4.36Å; Q133-W135 HydrophobicContact CB-CH2 4.03Å; Q133-W135 HydrophobicContact CB-CZ2 3.61Å; Q133-W135 HydrophobicContact CB-CZ3 4.33Å; Q133-W135 HydrophobicContact CG-CH2 3.91Å; Q133-W135 HydrophobicContact CG-CZ2 3.44Å; Q133-W135 VanDerWaalsContact CG-CZ2 3.44Å; Q133-W135 PolarHBondContact O-N 3.35Å; Q133-W135 VanDerWaalsContact O-N 3.15Å; W135-H137 PolarHBondContact O-CD2 2.79Å; W135-F159 HydrophobicContact CB-CE2 3.94Å; W135-F159 HydrophobicContact CB-CZ 4.21Å; W135-F159 HydrophobicContact CD2-CE2 4.47Å; W135-F159 HydrophobicContact CG-CE2 4.15Å; W135-F159 HydrophobicContact CG-CZ 4.35Å; W135-I161 HydrophobicContact CE3-CB 3.85Å; W135-I161 HydrophobicContact CE3-CD1 3.87Å; W135-I161 HydrophobicContact CE3-CG1 4Å; W135-I161 HydrophobicContact CH2-CD1 4.38Å; W135-I161 HydrophobicContact CZ3-CB 3.92Å; W135-I161 HydrophobicContact CZ3-CD1 3.58Å; W135-I161 HydrophobicContact CZ3-CG1 4.1Å; W135-I161 HydrophobicContact CZ3-CG2 4.42Å; W135-I161 PolarHBondContact O-N 3.25Å; W135-L212 HydrophobicContact CH2-CB 3.71Å; W135-L212 HydrophobicContact CZ3-CB 4.17Å; W135-I213 HydrophobicContact CZ2-CG1 4.19Å; W135-V216 HydrophobicContact CD2-CG2 4.17Å; W135-V216 HydrophobicContact CE3-CG2 4.13Å; W135-V216 HydrophobicContact CH2-CG2 3.85Å; W135-V216 HydrophobicContact CZ2-CB 4.25Å; W135-V216 HydrophobicContact CZ2-CG2 3.85Å; W135-V216 HydrophobicContact CZ3-CG2 4Å; W135-Y234 HydrophobicContact CB-CD2 4.03Å; W135-Y234 HydrophobicContact CB-CG 3.8Å |
| 136 | F | 93.1 | Very high | 83.3 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 5% | 0.053 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136 | -179 | -177.7 | -95.7 | 0 | 0 | 0 | 111.7 | N130 I131 Q133 E138 I161 F171 L212 | N130-F136 HydrophobicContact CB-CD1 4.33Å; N130-F136 HydrophobicContact CB-CD2 4.06Å; N130-F136 HydrophobicContact CB-CE1 4.37Å; N130-F136 HydrophobicContact CB-CE2 4.11Å; N130-F136 HydrophobicContact CB-CG 4.17Å; N130-F136 HydrophobicContact CB-CZ 4.27Å; N130-F136 WeakPolarHBondContact O-CB 3.39Å; N130-F136 WeakPolarHBondContact O-CD1 3.31Å; N130-F136 VanDerWaalsContact O-CG 3.29Å; N130-F136 WeakPolarHBondContact O-CG 3.36Å; I131-F136 HydrophobicContact CG1-CD1 4.36Å; I131-F136 HydrophobicContact CG1-CE1 3.94Å; Q133-F136 HydrophobicContact CB-CB 4.08Å; Q133-F136 WeakPolarHBondContact O-CB 3.46Å; Q133-F136 PolarHBondContact O-N 2.79Å; F136-E138 HydrophobicContact CE1-CB 4.24Å; F136-I161 CarbonylContact C-O 3.58Å; F136-I161 WeakPolarHBondContact CA-O 3.39Å; F136-I161 HydrophobicContact CD2-CB 4.4Å; F136-I161 HydrophobicContact CD2-CG2 3.99Å; F136-I161 HydrophobicContact CE2-CG2 4.31Å; F136-F171 AromaticContact CE2-CD1 3.55Å; F136-F171 HydrophobicContact CE2-CD1 3.55Å; F136-F171 AromaticContact CE2-CE1 3.59Å; F136-F171 HydrophobicContact CE2-CE1 3.59Å; F136-F171 HydrophobicContact CZ-CD1 4.06Å; F136-F171 AromaticContact CZ-CE1 3.74Å; F136-F171 HydrophobicContact CZ-CE1 3.74Å; F136-L212 HydrophobicContact CD2-CD1 4.26Å; F136-L212 HydrophobicContact CE2-CD1 4.2Å |
| 137 | H | 91.2 | Very high | 85 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 7% | 0.069 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 113.3 | -175.6 | -62.1 | -104.4 | 0 | 0 | 0 | 110.8 | W135 L140 I161 R162 K163 V235 | W135-H137 PolarHBondContact O-CD2 2.79Å; H137-L140 HydrophobicContact CB-CB 4.12Å; H137-L140 HydrophobicContact CB-CD1 3.45Å; H137-L140 VanDerWaalsContact CB-CD1 3.45Å; H137-L140 HydrophobicContact CB-CG 3.7Å; H137-L140 VanDerWaalsContact ND1-CD1 3.34Å; H137-L140 WeakPolarHBondContact ND1-CD1 3.35Å; H137-I161 PolarHBondContact N-O 3.43Å; H137-R162 WeakPolarHBondContact O-CA 3.46Å; H137-K163 PolarHBondContact O-N 3.19Å; H137-V235 PolarHBondContact NE2-O 3.38Å |
| 138 | E | 87.9 | Confident | 86.6 | Confident | 74 Ų | 74 | 60.5 Ų | 60.5 | 35% | 0.346 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -40.8 | -174.3 | -165.5 | 173.9 | -178.9 | 0 | 0 | 112.9 | F136 K163 | F136-E138 HydrophobicContact CE1-CB 4.24Å; E138-K163 HydrophobicContact CG-CD 3.81Å; E138-K163 WeakPolarHBondContact O-CB 3.26Å; E138-K163 IonicContact OE1-NZ 2.62Å; E138-K163 PolarHBondContact OE1-NZ 2.87Å |
| 139 | N | 87 | Confident | 88.3 | Confident | 130 Ų | 130 | 51.9 Ų | 51.9 | 70% | 0.695 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | 23.7 | -165.7 | -63.9 | -26.2 | 0 | 0 | 0 | 113.9 | ||
| 140 | L | 91.2 | Very high | 89.7 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | trans | -89.7 | 128.8 | 177 | -75.1 | -176 | 0 | 0 | 0 | 112.4 | H137 D144 I148 L160 R162 H165 V241 | H137-L140 HydrophobicContact CB-CB 4.12Å; H137-L140 HydrophobicContact CB-CD1 3.45Å; H137-L140 VanDerWaalsContact CB-CD1 3.45Å; H137-L140 HydrophobicContact CB-CG 3.7Å; H137-L140 VanDerWaalsContact ND1-CD1 3.34Å; H137-L140 WeakPolarHBondContact ND1-CD1 3.35Å; L140-D144 HydrophobicContact CD2-CB 3.78Å; L140-I148 HydrophobicContact CD1-CD1 3.6Å; L140-I148 HydrophobicContact CD2-CD1 3.75Å; L140-I148 HydrophobicContact CG-CD1 4.37Å; L140-L160 HydrophobicContact CD1-CD1 4.31Å; L140-L160 HydrophobicContact CD1-CD2 4.13Å; L140-R162 HydrophobicContact CB-CB 4.16Å; L140-R162 WeakPolarHBondContact O-CD 3.44Å; L140-H165 PolarHBondContact O-NE2 3.25Å; L140-V241 HydrophobicContact CD2-CG2 4.45Å | ||
| 141 | T | 92.4 | Very high | 90.7 | Very high | 50 Ų | 50 | 57.3 Ų | 57.3 | 31% | 0.307 | 30% | 0.297 | S | S | . | . | trans | -77.7 | 171.1 | 170.8 | 75.6 | 0 | 0 | 0 | 0 | 111.5 | H143 D144 A145 | T141-H143 PolarHBondContact O-N 3.17Å; T141-H143 PolarHBondContact OG1-N 2.91Å; T141-D144 VanDerWaalsContact CB-OD2 3.27Å; T141-D144 WeakPolarHBondContact CB-OD2 3.48Å; T141-D144 VanDerWaalsContact CG2-OD2 3.3Å; T141-D144 WeakPolarHBondContact CG2-OD2 3.26Å; T141-D144 PolarHBondContact N-OD2 2.91Å; T141-D144 VanDerWaalsContact N-OD2 3.07Å; T141-D144 PolarHBondContact OG1-N 3.26Å; T141-D144 PolarHBondContact OG1-OD1 2.97Å; T141-D144 PolarHBondContact OG1-OD2 3.42Å; T141-A145 WeakPolarHBondContact O-CB 3.49Å; T141-A145 PolarHBondContact O-N 2.97Å; T141-A145 VanDerWaalsContact O-N 3.09Å | ||
| 142 | R | 94.2 | Very high | 91.6 | Very high | 165 Ų | 165 | 57.8 Ų | 57.8 | 62% | 0.623 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.2 | -38.4 | 172.3 | -172.9 | -178.3 | -175.5 | 170.9 | 1.6 | 111.6 | T146 H183 | R142-T146 PolarHBondContact O-N 2.9Å; R142-T146 PolarHBondContact O-OG1 3.18Å; R142-H183 WeakPolarHBondContact CG-NE2 3.36Å; R142-H183 PolarHBondContact NE-CD2 3.4Å; R142-H183 PolarHBondContact NE-NE2 3.31Å |
| 143 | H | 94.4 | Very high | 92.2 | Very high | 128 Ų | 128 | 56.9 Ų | 56.9 | 59% | 0.593 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -69.2 | -50.3 | -178.7 | -176.6 | 71.5 | 0 | 0 | 0 | 110.4 | T141 A145 T146 T147 | T141-H143 PolarHBondContact O-N 3.17Å; T141-H143 PolarHBondContact OG1-N 2.91Å; H143-A145 VanDerWaalsContact C-N 3.33Å; H143-A145 PolarHBondContact O-N 2.87Å; H143-T146 WeakPolarHBondContact O-CA 3.28Å; H143-T146 WeakPolarHBondContact O-CB 3.42Å; H143-T146 PolarHBondContact O-N 3.35Å; H143-T147 PolarHBondContact O-N 3.3Å; H143-T147 PolarHBondContact O-OG1 3.4Å |
| 144 | D | 93.3 | Very high | 92.3 | Very high | 33 Ų | 33 | 56.6 Ų | 56.6 | 18% | 0.176 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.1 | -44.8 | -179.8 | -49.6 | -35.1 | 0 | 0 | 0 | 111.4 | L140 T141 T146 T147 I148 | L140-D144 HydrophobicContact CD2-CB 3.78Å; T141-D144 VanDerWaalsContact CB-OD2 3.27Å; T141-D144 WeakPolarHBondContact CB-OD2 3.48Å; T141-D144 VanDerWaalsContact CG2-OD2 3.3Å; T141-D144 WeakPolarHBondContact CG2-OD2 3.26Å; T141-D144 PolarHBondContact N-OD2 2.91Å; T141-D144 VanDerWaalsContact N-OD2 3.07Å; T141-D144 PolarHBondContact OG1-N 3.26Å; T141-D144 PolarHBondContact OG1-OD1 2.97Å; T141-D144 PolarHBondContact OG1-OD2 3.42Å; D144-T146 VanDerWaalsContact C-N 3.25Å; D144-T146 PolarHBondContact O-N 2.9Å; D144-T147 PolarHBondContact O-N 3.13Å; D144-T147 VanDerWaalsContact O-N 3.1Å; D144-I148 VanDerWaalsContact O-CG1 3.31Å; D144-I148 WeakPolarHBondContact O-CG1 3.39Å; D144-I148 PolarHBondContact O-N 3.08Å |
| 145 | A | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.4 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T141 H143 L149 L160 | T141-A145 WeakPolarHBondContact O-CB 3.49Å; T141-A145 PolarHBondContact O-N 2.97Å; T141-A145 VanDerWaalsContact O-N 3.09Å; H143-A145 VanDerWaalsContact C-N 3.33Å; H143-A145 PolarHBondContact O-N 2.87Å; A145-L149 WeakPolarHBondContact O-CB 3.16Å; A145-L149 VanDerWaalsContact O-CG 3.3Å; A145-L149 WeakPolarHBondContact O-CG 3.39Å; A145-L149 PolarHBondContact O-N 3Å; A145-L149 VanDerWaalsContact O-N 3.12Å; A145-L160 HydrophobicContact CB-CD1 3.94Å; A145-L160 HydrophobicContact CB-CD2 4.08Å; A145-L160 HydrophobicContact CB-CG 4.48Å |
| 146 | T | 95.5 | Very high | 92.6 | Very high | 30 Ų | 30 | 63.4 Ų | 63.4 | 18% | 0.184 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.3 | -41.1 | 176.9 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | R142 H143 D144 R150 V181 H183 | R142-T146 PolarHBondContact O-N 2.9Å; R142-T146 PolarHBondContact O-OG1 3.18Å; H143-T146 WeakPolarHBondContact O-CA 3.28Å; H143-T146 WeakPolarHBondContact O-CB 3.42Å; H143-T146 PolarHBondContact O-N 3.35Å; D144-T146 VanDerWaalsContact C-N 3.25Å; D144-T146 PolarHBondContact O-N 2.9Å; T146-R150 VanDerWaalsContact O-CB 3.29Å; T146-R150 WeakPolarHBondContact O-CB 3.37Å; T146-R150 PolarHBondContact O-N 3.13Å; T146-V181 HydrophobicContact CG2-CB 4.3Å; T146-V181 HydrophobicContact CG2-CG2 4.1Å; T146-H183 PolarHBondContact OG1-NE2 3.4Å |
| 147 | T | 94.6 | Very high | 92.8 | Very high | 44 Ų | 44 | 63 Ų | 63 | 27% | 0.27 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 178.5 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | H143 D144 R150 S151 V241 | H143-T147 PolarHBondContact O-N 3.3Å; H143-T147 PolarHBondContact O-OG1 3.4Å; D144-T147 PolarHBondContact O-N 3.13Å; D144-T147 VanDerWaalsContact O-N 3.1Å; T147-R150 WeakPolarHBondContact O-CB 3.19Å; T147-R150 PolarHBondContact O-N 3.45Å; T147-S151 PolarHBondContact O-N 2.88Å; T147-V241 HydrophobicContact CG2-CG1 4.24Å |
| 148 | I | 93.3 | Very high | 93 | Very high | 3 Ų | 3 | 62.6 Ų | 62.6 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 176.1 | -62.3 | 158.8 | 0 | 0 | 0 | 111.3 | L140 D144 R150 S151 L152 V235 V239 V241 | L140-I148 HydrophobicContact CD1-CD1 3.6Å; L140-I148 HydrophobicContact CD2-CD1 3.75Å; L140-I148 HydrophobicContact CG-CD1 4.37Å; D144-I148 VanDerWaalsContact O-CG1 3.31Å; D144-I148 WeakPolarHBondContact O-CG1 3.39Å; D144-I148 PolarHBondContact O-N 3.08Å; I148-R150 PolarHBondContact O-N 3.26Å; I148-S151 PolarHBondContact O-N 2.79Å; I148-S151 VanDerWaalsContact O-N 3.13Å; I148-S151 PolarHBondContact O-OG 3.33Å; I148-L152 HydrophobicContact CG2-CD1 4.18Å; I148-L152 WeakPolarHBondContact O-CG 3.35Å; I148-L152 PolarHBondContact O-N 2.9Å; I148-L152 VanDerWaalsContact O-N 3.11Å; I148-V235 HydrophobicContact CG2-CB 4.42Å; I148-V235 HydrophobicContact CG2-CG1 3.46Å; I148-V235 VanDerWaalsContact CG2-CG1 3.46Å; I148-V235 HydrophobicContact CG2-CG2 4.1Å; I148-V239 HydrophobicContact CG1-CB 4.47Å; I148-V239 HydrophobicContact CG2-CB 4.47Å; I148-V239 HydrophobicContact CG2-CG2 4Å; I148-V241 HydrophobicContact CD1-CG2 3.47Å; I148-V241 VanDerWaalsContact CD1-CG2 3.47Å; I148-V241 HydrophobicContact CG1-CG2 3.37Å |
| 149 | L | 94 | Very high | 93.5 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63 | -29.8 | 178.4 | -71.5 | 171.1 | 0 | 0 | 0 | 111.9 | A145 F154 T158 L160 A176 V181 V235 | A145-L149 WeakPolarHBondContact O-CB 3.16Å; A145-L149 VanDerWaalsContact O-CG 3.3Å; A145-L149 WeakPolarHBondContact O-CG 3.39Å; A145-L149 PolarHBondContact O-N 3Å; A145-L149 VanDerWaalsContact O-N 3.12Å; L149-F154 WeakPolarHBondContact O-CA 3.37Å; L149-F154 PolarHBondContact O-N 2.78Å; L149-T158 HydrophobicContact CD2-CG2 3.73Å; L149-L160 HydrophobicContact CG-CD2 4.43Å; L149-A176 HydrophobicContact CD2-CB 4.34Å; L149-V181 HydrophobicContact CB-CG2 3.89Å; L149-V181 HydrophobicContact CD1-CB 4.42Å; L149-V181 HydrophobicContact CD1-CG1 3.61Å; L149-V181 HydrophobicContact CD1-CG2 3.88Å; L149-V235 HydrophobicContact CD2-CG2 3.82Å |
| 150 | R | 93.5 | Very high | 93.9 | Very high | 141 Ų | 141 | 52.9 Ų | 52.9 | 53% | 0.532 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.5 | -45.6 | 171.9 | -177.6 | -176 | -56.8 | 172 | 1.7 | 112.3 | T146 T147 I148 L152 G153 F154 | T146-R150 VanDerWaalsContact O-CB 3.29Å; T146-R150 WeakPolarHBondContact O-CB 3.37Å; T146-R150 PolarHBondContact O-N 3.13Å; T147-R150 WeakPolarHBondContact O-CB 3.19Å; T147-R150 PolarHBondContact O-N 3.45Å; I148-R150 PolarHBondContact O-N 3.26Å; R150-L152 PolarHBondContact O-N 2.81Å; R150-G153 WeakPolarHBondContact O-CA 3.46Å; R150-G153 PolarHBondContact O-N 2.86Å; R150-F154 HydrophobicContact CB-CD1 4.44Å; R150-F154 HydrophobicContact CB-CE1 3.67Å; R150-F154 HydrophobicContact CB-CE2 3.97Å; R150-F154 HydrophobicContact CB-CZ 3.42Å; R150-F154 VanDerWaalsContact CB-CZ 3.42Å; R150-F154 HydrophobicContact CG-CD2 4.48Å; R150-F154 HydrophobicContact CG-CE1 4.27Å; R150-F154 HydrophobicContact CG-CE2 3.64Å; R150-F154 HydrophobicContact CG-CZ 3.53Å |
| 151 | S | 91.5 | Very high | 94.2 | Very high | 85 Ų | 85 | 51.9 Ų | 51.9 | 59% | 0.594 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.3 | -27.5 | -179.3 | 67.6 | 0 | 0 | 0 | 0 | 112.2 | T147 I148 G153 | T147-S151 PolarHBondContact O-N 2.88Å; I148-S151 PolarHBondContact O-N 2.79Å; I148-S151 VanDerWaalsContact O-N 3.13Å; I148-S151 PolarHBondContact O-OG 3.33Å; S151-G153 PolarHBondContact O-N 3.24Å |
| 152 | L | 90.7 | Very high | 94.2 | Very high | 89 Ų | 89 | 50.3 Ų | 50.3 | 47% | 0.466 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 10.9 | 171.1 | -61.1 | 174.5 | 0 | 0 | 0 | 113.9 | I148 R150 T158 V235 | I148-L152 HydrophobicContact CG2-CD1 4.18Å; I148-L152 WeakPolarHBondContact O-CG 3.35Å; I148-L152 PolarHBondContact O-N 2.9Å; I148-L152 VanDerWaalsContact O-N 3.11Å; R150-L152 PolarHBondContact O-N 2.81Å; L152-T158 HydrophobicContact CD1-CG2 4.37Å; L152-V235 HydrophobicContact CD1-CG1 4.48Å; L152-V235 HydrophobicContact CD1-CG2 3.65Å |
| 153 | G | 91.4 | Very high | 94.1 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 61% | 0.608 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 15.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115.4 | R150 S151 K155 | R150-G153 WeakPolarHBondContact O-CA 3.46Å; R150-G153 PolarHBondContact O-N 2.86Å; S151-G153 PolarHBondContact O-N 3.24Å; G153-K155 PolarHBondContact O-N 2.87Å |
| 154 | F | 91.7 | Very high | 93.8 | Very high | 41 Ų | 41 | 40.9 Ų | 40.9 | 18% | 0.18 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 41.1 | -174.6 | -60.1 | -64.4 | 0 | 0 | 0 | 113.8 | L149 R150 D156 K179 V181 | L149-F154 WeakPolarHBondContact O-CA 3.37Å; L149-F154 PolarHBondContact O-N 2.78Å; R150-F154 HydrophobicContact CB-CD1 4.44Å; R150-F154 HydrophobicContact CB-CE1 3.67Å; R150-F154 HydrophobicContact CB-CE2 3.97Å; R150-F154 HydrophobicContact CB-CZ 3.42Å; R150-F154 VanDerWaalsContact CB-CZ 3.42Å; R150-F154 HydrophobicContact CG-CD2 4.48Å; R150-F154 HydrophobicContact CG-CE1 4.27Å; R150-F154 HydrophobicContact CG-CE2 3.64Å; R150-F154 HydrophobicContact CG-CZ 3.53Å; F154-D156 PolarHBondContact O-N 3.26Å; F154-D156 VanDerWaalsContact O-N 3.11Å; F154-K179 HydrophobicContact CB-CB 4.46Å; F154-K179 HydrophobicContact CD2-CB 4.13Å; F154-K179 HydrophobicContact CG-CB 4.49Å; F154-V181 HydrophobicContact CD1-CG2 4.05Å; F154-V181 HydrophobicContact CE1-CG2 3.69Å |
| 155 | K | 94.3 | Very high | 93.4 | Very high | 122 Ų | 122 | 45 Ų | 45 | 53% | 0.53 | 24% | 0.238 | S | C | . | . | trans | -56.6 | 120.1 | 174.9 | 178 | -178.8 | -174.6 | -178.7 | 0 | 109.7 | G153 G157 T158 D233 | G153-K155 PolarHBondContact O-N 2.87Å; K155-G157 PolarHBondContact O-N 2.95Å; K155-T158 WeakPolarHBondContact CB-OG1 3.45Å; K155-T158 WeakPolarHBondContact O-CB 3.39Å; K155-T158 PolarHBondContact O-N 3.44Å; K155-T158 PolarHBondContact O-OG1 2.88Å; K155-D233 VanDerWaalsContact CE-OD2 3.3Å; K155-D233 WeakPolarHBondContact CE-OD2 3.42Å; K155-D233 IonicContact NZ-OD2 2.66Å; K155-D233 PolarHBondContact NZ-OD2 3.3Å | ||
| 156 | D | 96.6 | Very high | 92.8 | Very high | 89 Ų | 89 | 50.2 Ų | 50.2 | 48% | 0.476 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 131.2 | -177.6 | -80.3 | -0.3 | 0 | 0 | 0 | 110.9 | F154 T158 K178 I229 | F154-D156 PolarHBondContact O-N 3.26Å; F154-D156 VanDerWaalsContact O-N 3.11Å; D156-T158 VanDerWaalsContact C-N 3.31Å; D156-K178 PolarHBondContact OD1-N 2.92Å; D156-I229 HydrophobicContact CB-CD1 4.14Å |
| 157 | G | 96.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | -11.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K155 F159 A176 I229 G232 | K155-G157 PolarHBondContact O-N 2.95Å; G157-F159 PolarHBondContact O-N 3.47Å; G157-A176 PolarHBondContact N-O 2.95Å; G157-I229 VanDerWaalsContact CA-CD1 3.48Å; G157-G232 WeakPolarHBondContact O-CA 3.22Å; G157-G232 PolarHBondContact O-N 3.27Å |
| 158 | T | 96.4 | Very high | 91 | Very high | 7 Ų | 7 | 60.9 Ų | 60.9 | 4% | 0.043 | 31% | 0.309 | C | S | . | . | trans | -65.5 | 128.4 | 176.9 | -50.7 | 0 | 0 | 0 | 0 | 110.4 | L149 L152 K155 D156 A176 D233 V235 | L149-T158 HydrophobicContact CD2-CG2 3.73Å; L152-T158 HydrophobicContact CD1-CG2 4.37Å; K155-T158 WeakPolarHBondContact CB-OG1 3.45Å; K155-T158 WeakPolarHBondContact O-CB 3.39Å; K155-T158 PolarHBondContact O-N 3.44Å; K155-T158 PolarHBondContact O-OG1 2.88Å; D156-T158 VanDerWaalsContact C-N 3.31Å; T158-A176 PolarHBondContact O-N 3.37Å; T158-D233 CarbonylContact C-O 3.57Å; T158-D233 VanDerWaalsContact CA-O 3.24Å; T158-D233 WeakPolarHBondContact CA-O 3.41Å; T158-V235 HydrophobicContact CG2-CG2 4.16Å | ||
| 159 | F | 97.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 166.1 | -175.9 | 78.3 | -81.8 | 0 | 0 | 0 | 114.1 | W135 G157 L173 S174 L175 V216 L231 D233 Y234 V235 | W135-F159 HydrophobicContact CB-CE2 3.94Å; W135-F159 HydrophobicContact CB-CZ 4.21Å; W135-F159 HydrophobicContact CD2-CE2 4.47Å; W135-F159 HydrophobicContact CG-CE2 4.15Å; W135-F159 HydrophobicContact CG-CZ 4.35Å; G157-F159 PolarHBondContact O-N 3.47Å; F159-L173 HydrophobicContact CB-CD1 3.96Å; F159-L173 HydrophobicContact CD2-CD1 3.69Å; F159-L173 HydrophobicContact CG-CD1 4.17Å; F159-S174 CarbonylContact C-O 3.53Å; F159-S174 VanDerWaalsContact CA-O 3.23Å; F159-S174 WeakPolarHBondContact CA-O 3.44Å; F159-L175 HydrophobicContact CB-CD1 3.95Å; F159-V216 HydrophobicContact CE2-CG1 4Å; F159-V216 HydrophobicContact CE2-CG2 4.14Å; F159-V216 HydrophobicContact CZ-CG1 3.66Å; F159-L231 HydrophobicContact CB-CD2 4Å; F159-L231 HydrophobicContact CD1-CB 3.75Å; F159-L231 HydrophobicContact CD1-CD1 4.42Å; F159-L231 HydrophobicContact CD1-CD2 4.15Å; F159-L231 HydrophobicContact CD1-CG 4.31Å; F159-L231 HydrophobicContact CD2-CD1 4.2Å; F159-L231 HydrophobicContact CD2-CD2 4.46Å; F159-L231 HydrophobicContact CE1-CB 3.8Å; F159-L231 HydrophobicContact CE1-CD1 4.38Å; F159-L231 HydrophobicContact CE2-CD1 4.16Å; F159-L231 HydrophobicContact CG-CB 4.37Å; F159-L231 HydrophobicContact CG-CD1 4.35Å; F159-L231 HydrophobicContact CG-CD2 3.95Å; F159-L231 HydrophobicContact CG-CG 4.44Å; F159-L231 HydrophobicContact CZ-CB 4.43Å; F159-L231 HydrophobicContact CZ-CD1 4.25Å; F159-D233 WeakPolarHBondContact CD1-O 3.35Å; F159-D233 PolarHBondContact N-O 2.9Å; F159-Y234 HydrophobicContact CE1-CD1 4.48Å; F159-Y234 HydrophobicContact CZ-CD1 4.48Å; F159-Y234 VanDerWaalsContact O-CA 3.24Å; F159-Y234 WeakPolarHBondContact O-CA 3.47Å; F159-V235 PolarHBondContact O-N 3.47Å |
| 160 | L | 96.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 154.4 | 164.1 | 64.1 | 86 | 0 | 0 | 0 | 109.4 | L140 A145 L149 R162 S174 V235 | L140-L160 HydrophobicContact CD1-CD1 4.31Å; L140-L160 HydrophobicContact CD1-CD2 4.13Å; A145-L160 HydrophobicContact CB-CD1 3.94Å; A145-L160 HydrophobicContact CB-CD2 4.08Å; A145-L160 HydrophobicContact CB-CG 4.48Å; L149-L160 HydrophobicContact CG-CD2 4.43Å; L160-R162 HydrophobicContact CD1-CB 4.03Å; L160-R162 HydrophobicContact CD1-CG 4.29Å; L160-S174 PolarHBondContact N-O 3.49Å; L160-S174 PolarHBondContact O-N 2.85Å; L160-V235 HydrophobicContact CB-CB 4.09Å; L160-V235 HydrophobicContact CB-CG2 4.29Å; L160-V235 HydrophobicContact CD2-CB 4.13Å; L160-V235 HydrophobicContact CD2-CG1 4.43Å; L160-V235 HydrophobicContact CD2-CG2 3.97Å |
| 161 | I | 95.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 131.9 | 169.3 | -63.9 | -177.1 | 0 | 0 | 0 | 108.4 | W135 F136 H137 F171 V172 L173 I186 L212 L215 V216 | W135-I161 HydrophobicContact CE3-CB 3.85Å; W135-I161 HydrophobicContact CE3-CD1 3.87Å; W135-I161 HydrophobicContact CE3-CG1 4Å; W135-I161 HydrophobicContact CH2-CD1 4.38Å; W135-I161 HydrophobicContact CZ3-CB 3.92Å; W135-I161 HydrophobicContact CZ3-CD1 3.58Å; W135-I161 HydrophobicContact CZ3-CG1 4.1Å; W135-I161 HydrophobicContact CZ3-CG2 4.42Å; W135-I161 PolarHBondContact O-N 3.25Å; F136-I161 CarbonylContact C-O 3.58Å; F136-I161 WeakPolarHBondContact CA-O 3.39Å; F136-I161 HydrophobicContact CD2-CB 4.4Å; F136-I161 HydrophobicContact CD2-CG2 3.99Å; F136-I161 HydrophobicContact CE2-CG2 4.31Å; H137-I161 PolarHBondContact N-O 3.43Å; I161-F171 HydrophobicContact CG2-CB 3.98Å; I161-V172 WeakPolarHBondContact CA-O 3.32Å; I161-L173 HydrophobicContact CD1-CD1 4.46Å; I161-L173 HydrophobicContact CG1-CB 4.39Å; I161-L173 HydrophobicContact CG1-CD1 3.91Å; I161-I186 HydrophobicContact CD1-CD1 3.85Å; I161-I186 HydrophobicContact CG1-CD1 4.31Å; I161-I186 HydrophobicContact CG2-CD1 4.04Å; I161-L212 HydrophobicContact CG2-CD1 4.17Å; I161-L215 HydrophobicContact CD1-CD2 4.46Å; I161-V216 HydrophobicContact CD1-CG2 3.43Å; I161-V216 VanDerWaalsContact CD1-CG2 3.43Å |
| 162 | R | 93.9 | Very high | 90 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 6% | 0.064 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 156.5 | 179 | 65.5 | -172.9 | -174.4 | 72.7 | 5.5 | 112.2 | H137 L140 L160 F171 V172 | H137-R162 WeakPolarHBondContact O-CA 3.46Å; L140-R162 HydrophobicContact CB-CB 4.16Å; L140-R162 WeakPolarHBondContact O-CD 3.44Å; L160-R162 HydrophobicContact CD1-CB 4.03Å; L160-R162 HydrophobicContact CD1-CG 4.29Å; R162-F171 CarbonylContact O-C 3.54Å; R162-F171 WeakPolarHBondContact O-CA 3.48Å; R162-V172 HydrophobicContact CG-CB 4.04Å; R162-V172 PolarHBondContact N-O 3.5Å; R162-V172 PolarHBondContact O-N 3.24Å |
| 163 | K | 91.2 | Very high | 90.3 | Very high | 84 Ų | 84 | 49 Ų | 49 | 37% | 0.365 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 141.9 | 169.3 | -161.2 | 173.8 | -175.3 | 174.4 | 0 | 110.2 | H137 E138 | H137-K163 PolarHBondContact O-N 3.19Å; E138-K163 HydrophobicContact CG-CD 3.81Å; E138-K163 WeakPolarHBondContact O-CB 3.26Å; E138-K163 IonicContact OE1-NZ 2.62Å; E138-K163 PolarHBondContact OE1-NZ 2.87Å |
| 164 | S | 88.8 | Confident | 90.5 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | trans | -81 | 124.3 | 173.3 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | T166 W167 C170 | S164-T166 PolarHBondContact OG-N 3.33Å; S164-T166 PolarHBondContact OG-OG1 2.96Å; S164-T166 VanDerWaalsContact OG-OG1 3.13Å; S164-W167 WeakPolarHBondContact CB-O 3.37Å; S164-W167 PolarHBondContact OG-N 2.85Å; S164-C170 WeakPolarHBondContact CB-O 3.14Å; S164-C170 PolarHBondContact N-O 3.47Å | ||
| 165 | H | 84.5 | Confident | 90.8 | Very high | 120 Ų | 120 | 44.3 Ų | 44.3 | 56% | 0.556 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -77.5 | -23.3 | 172.1 | -67.9 | -85.2 | 0 | 0 | 0 | 112.7 | L140 | L140-H165 PolarHBondContact O-NE2 3.25Š|
| 166 | T | 80.9 | Confident | 91 | Very high | 109 Ų | 109 | 38.5 Ų | 38.5 | 67% | 0.669 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -85.8 | -29.3 | -178 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | S164 | S164-T166 PolarHBondContact OG-N 3.33Å; S164-T166 PolarHBondContact OG-OG1 2.96Å; S164-T166 VanDerWaalsContact OG-OG1 3.13Å |
| 167 | W | 75.9 | Confident | 91 | Very high | 129 Ų | 129 | 34.5 Ų | 34.5 | 49% | 0.489 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -131.1 | 110.2 | -178.7 | -74 | -71.1 | 0 | 0 | 0 | 110.5 | F49 S164 G169 C170 | F49-W167 HydrophobicContact CE1-CZ2 4.28Å; S164-W167 WeakPolarHBondContact CB-O 3.37Å; S164-W167 PolarHBondContact OG-N 2.85Å; W167-G169 PolarHBondContact O-N 2.68Å; W167-C170 HydrophobicContact CB-CB 3.82Å; W167-C170 PolarHBondContact O-N 3.24Å; W167-C170 VanDerWaalsContact O-N 3.13Å |
| 168 | Q | 76.7 | Confident | 90.9 | Very high | 170 Ų | 170 | 42.3 Ų | 42.3 | 79% | 0.794 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 132.7 | 175.4 | -62.6 | 179.5 | 12 | 0 | 0 | 110.2 | C170 | Q168-C170 VanDerWaalsContact C-N 3.25Å; Q168-C170 PolarHBondContact O-N 2.81Å |
| 169 | G | 75.4 | Confident | 90.8 | Very high | 26 Ų | 26 | 50 Ų | 50 | 27% | 0.268 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -3.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | W167 | W167-G169 PolarHBondContact O-N 2.68Š|
| 170 | C | 86 | Confident | 90.7 | Very high | 16 Ų | 16 | 53.4 Ų | 53.4 | 11% | 0.108 | 26% | 0.26 | C | S | . | . | trans | -95.1 | 156.1 | 172.6 | -64.6 | 0 | 0 | 0 | 0 | 111.2 | S164 W167 Q168 | S164-C170 WeakPolarHBondContact CB-O 3.14Å; S164-C170 PolarHBondContact N-O 3.47Å; W167-C170 HydrophobicContact CB-CB 3.82Å; W167-C170 PolarHBondContact O-N 3.24Å; W167-C170 VanDerWaalsContact O-N 3.13Å; Q168-C170 VanDerWaalsContact C-N 3.25Å; Q168-C170 PolarHBondContact O-N 2.81Å | ||
| 171 | F | 93.8 | Very high | 90.8 | Very high | 17 Ų | 17 | 54.6 Ų | 54.6 | 8% | 0.075 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 167.6 | 176.1 | -52.8 | -77.7 | 0 | 0 | 0 | 110.2 | F136 I161 R162 I186 Y200 L212 | F136-F171 AromaticContact CE2-CD1 3.55Å; F136-F171 HydrophobicContact CE2-CD1 3.55Å; F136-F171 AromaticContact CE2-CE1 3.59Å; F136-F171 HydrophobicContact CE2-CE1 3.59Å; F136-F171 HydrophobicContact CZ-CD1 4.06Å; F136-F171 AromaticContact CZ-CE1 3.74Å; F136-F171 HydrophobicContact CZ-CE1 3.74Å; I161-F171 HydrophobicContact CG2-CB 3.98Å; R162-F171 CarbonylContact O-C 3.54Å; R162-F171 WeakPolarHBondContact O-CA 3.48Å; F171-I186 HydrophobicContact CB-CB 4.08Å; F171-I186 HydrophobicContact CB-CD1 4.11Å; F171-I186 PolarHBondContact N-O 3.36Å; F171-I186 PolarHBondContact O-N 3.36Å; F171-Y200 HydrophobicContact CD2-CD1 4.32Å; F171-Y200 AromaticContact CD2-CE1 3.96Å; F171-Y200 HydrophobicContact CD2-CE1 3.96Å; F171-Y200 HydrophobicContact CE2-CD1 4.43Å; F171-Y200 AromaticContact CE2-CE1 3.65Å; F171-Y200 HydrophobicContact CE2-CE1 3.65Å; F171-L212 HydrophobicContact CB-CD1 4.34Å; F171-L212 HydrophobicContact CD1-CD1 4.06Å; F171-L212 HydrophobicContact CD2-CD1 3.65Å; F171-L212 HydrophobicContact CD2-CD2 3.8Å; F171-L212 HydrophobicContact CD2-CG 4.17Å; F171-L212 HydrophobicContact CE1-CD1 4.23Å; F171-L212 HydrophobicContact CE2-CD1 3.83Å; F171-L212 HydrophobicContact CE2-CD2 4.29Å; F171-L212 HydrophobicContact CE2-CG 4.3Å; F171-L212 HydrophobicContact CG-CD1 3.74Å; F171-L212 HydrophobicContact CG-CD2 4.41Å; F171-L212 HydrophobicContact CZ-CD1 4.11Å |
| 172 | V | 95.3 | Very high | 90.8 | Very high | 11 Ų | 11 | 58 Ų | 58 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 122.2 | 177.3 | -176 | 0 | 0 | 0 | 0 | 108.8 | I161 R162 H183 Y184 | I161-V172 WeakPolarHBondContact CA-O 3.32Å; R162-V172 HydrophobicContact CG-CB 4.04Å; R162-V172 PolarHBondContact N-O 3.5Å; R162-V172 PolarHBondContact O-N 3.24Å; V172-H183 HydrophobicContact CG1-CB 3.89Å; V172-Y184 CarbonylContact C-O 3.48Å; V172-Y184 WeakPolarHBondContact CA-O 3.27Å |
| 173 | L | 96.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 122.5 | 166.6 | 170.4 | 69.4 | 0 | 0 | 0 | 108.5 | F159 I161 H183 Y184 I186 I202 L227 L231 | F159-L173 HydrophobicContact CB-CD1 3.96Å; F159-L173 HydrophobicContact CD2-CD1 3.69Å; F159-L173 HydrophobicContact CG-CD1 4.17Å; I161-L173 HydrophobicContact CD1-CD1 4.46Å; I161-L173 HydrophobicContact CG1-CB 4.39Å; I161-L173 HydrophobicContact CG1-CD1 3.91Å; L173-H183 CarbonylContact O-C 3.59Å; L173-H183 WeakPolarHBondContact O-CA 3.49Å; L173-Y184 HydrophobicContact CD2-CD2 4.17Å; L173-Y184 HydrophobicContact CG-CD2 4.39Å; L173-Y184 PolarHBondContact N-O 2.9Å; L173-Y184 PolarHBondContact O-N 3.5Å; L173-I186 HydrophobicContact CB-CD1 4.17Å; L173-I186 HydrophobicContact CB-CG1 4.4Å; L173-I202 HydrophobicContact CB-CD1 4.38Å; L173-I202 HydrophobicContact CD2-CD1 3.7Å; L173-L227 HydrophobicContact CD2-CD1 4.03Å; L173-L227 HydrophobicContact CD2-CD2 4.08Å; L173-L231 HydrophobicContact CD1-CD1 4.41Å; L173-L231 HydrophobicContact CD1-CD2 4.07Å; L173-L231 HydrophobicContact CD2-CD2 4.11Å |
| 174 | S | 97 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121 | 171.4 | -53.5 | 0 | 0 | 0 | 0 | 108.5 | F159 L160 H182 H183 | F159-S174 CarbonylContact C-O 3.53Å; F159-S174 VanDerWaalsContact CA-O 3.23Å; F159-S174 WeakPolarHBondContact CA-O 3.44Å; L160-S174 PolarHBondContact N-O 3.49Å; L160-S174 PolarHBondContact O-N 2.85Å; S174-H182 CarbonylContact C-O 3.52Å; S174-H182 WeakPolarHBondContact CA-O 3.4Å; S174-H183 PolarHBondContact OG-ND1 3.27Å |
| 175 | L | 97.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.6 | -171.2 | 177.1 | 64.8 | 0 | 0 | 0 | 110.5 | F159 V177 V181 H182 Y184 I229 L231 | F159-L175 HydrophobicContact CB-CD1 3.95Å; L175-V177 HydrophobicContact CD2-CG2 3.86Å; L175-V177 HydrophobicContact CG-CG2 3.74Å; L175-V181 WeakPolarHBondContact O-CA 3.39Å; L175-H182 PolarHBondContact N-O 3.35Å; L175-H182 PolarHBondContact O-N 2.93Å; L175-Y184 HydrophobicContact CB-CE2 4.17Å; L175-Y184 HydrophobicContact CD2-CE2 4.21Å; L175-I229 HydrophobicContact CD2-CG1 4.18Å; L175-L231 HydrophobicContact CD1-CD2 3.76Å; L175-L231 HydrophobicContact CD2-CD2 4.36Å |
| 176 | A | 97.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 126.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | L149 G157 T158 T180 | L149-A176 HydrophobicContact CD2-CB 4.34Å; G157-A176 PolarHBondContact N-O 2.95Å; T158-A176 PolarHBondContact O-N 3.37Å; A176-T180 WeakPolarHBondContact CA-O 3.45Å |
| 177 | V | 97 | Very high | 92.3 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 123.3 | 179.8 | -169 | 0 | 0 | 0 | 0 | 108.7 | L175 K179 T180 P228 I229 | L175-V177 HydrophobicContact CD2-CG2 3.86Å; L175-V177 HydrophobicContact CG-CG2 3.74Å; V177-K179 VanDerWaalsContact C-N 3.32Å; V177-K179 PolarHBondContact O-N 3.03Å; V177-T180 PolarHBondContact N-O 3.48Å; V177-T180 WeakPolarHBondContact O-CA 3.49Å; V177-T180 PolarHBondContact O-N 2.87Å; V177-T180 PolarHBondContact O-OG1 2.69Å; V177-P228 HydrophobicContact CB-CG 4.33Å; V177-P228 HydrophobicContact CG1-CB 4.28Å; V177-P228 HydrophobicContact CG1-CG 3.91Å; V177-P228 HydrophobicContact CG2-CG 3.69Å; V177-I229 HydrophobicContact CB-CD1 4.42Å; V177-I229 HydrophobicContact CG1-CD1 4.22Å; V177-I229 HydrophobicContact CG2-CD1 3.9Å; V177-I229 HydrophobicContact CG2-CG1 4.04Å |
| 178 | K | 94.9 | Very high | 92.9 | Very high | 166 Ų | 166 | 48.4 Ų | 48.4 | 72% | 0.722 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49 | 49 | 175.2 | -62.2 | 177.9 | -179.5 | -177.5 | 0 | 113 | D156 T180 | D156-K178 PolarHBondContact OD1-N 2.92Å; K178-T180 PolarHBondContact O-N 2.88Å |
| 179 | K | 94.2 | Very high | 93.3 | Very high | 169 Ų | 169 | 42.1 Ų | 42.1 | 74% | 0.735 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 14.8 | -177.5 | -52.5 | -178.5 | 179.4 | -178.9 | 0 | 115.4 | F154 V177 | F154-K179 HydrophobicContact CB-CB 4.46Å; F154-K179 HydrophobicContact CD2-CB 4.13Å; F154-K179 HydrophobicContact CG-CB 4.49Å; V177-K179 VanDerWaalsContact C-N 3.32Å; V177-K179 PolarHBondContact O-N 3.03Å |
| 180 | T | 96 | Very high | 93.7 | Very high | 71 Ų | 71 | 45 Ų | 45 | 44% | 0.436 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 150.7 | 176.4 | 67.1 | 0 | 0 | 0 | 0 | 110.7 | A176 V177 K178 H182 | A176-T180 WeakPolarHBondContact CA-O 3.45Å; V177-T180 PolarHBondContact N-O 3.48Å; V177-T180 WeakPolarHBondContact O-CA 3.49Å; V177-T180 PolarHBondContact O-N 2.87Å; V177-T180 PolarHBondContact O-OG1 2.69Å; K178-T180 PolarHBondContact O-N 2.88Å; T180-H182 PolarHBondContact OG1-NE2 3.16Å |
| 181 | V | 96.9 | Very high | 93.5 | Very high | 25 Ų | 25 | 47.9 Ų | 47.9 | 15% | 0.152 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.2 | 178.3 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | T146 L149 F154 L175 | T146-V181 HydrophobicContact CG2-CB 4.3Å; T146-V181 HydrophobicContact CG2-CG2 4.1Å; L149-V181 HydrophobicContact CB-CG2 3.89Å; L149-V181 HydrophobicContact CD1-CB 4.42Å; L149-V181 HydrophobicContact CD1-CG1 3.61Å; L149-V181 HydrophobicContact CD1-CG2 3.88Å; F154-V181 HydrophobicContact CD1-CG2 4.05Å; F154-V181 HydrophobicContact CE1-CG2 3.69Å; L175-V181 WeakPolarHBondContact O-CA 3.39Å |
| 182 | H | 96.8 | Very high | 92.7 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 33% | 0.333 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 135.6 | 174.1 | -63 | -89.9 | 0 | 0 | 0 | 109.7 | S174 L175 T180 Y184 | S174-H182 CarbonylContact C-O 3.52Å; S174-H182 WeakPolarHBondContact CA-O 3.4Å; L175-H182 PolarHBondContact N-O 3.35Å; L175-H182 PolarHBondContact O-N 2.93Å; T180-H182 PolarHBondContact OG1-NE2 3.16Å; H182-Y184 HydrophobicContact CB-CD2 4.28Å; H182-Y184 HydrophobicContact CB-CE2 3.38Å; H182-Y184 WeakPolarHBondContact CB-OH 3.47Å |
| 183 | H | 96 | Very high | 91.5 | Very high | 38 Ų | 38 | 62.9 Ų | 62.9 | 18% | 0.176 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 116.1 | 178.5 | -54.6 | -83.5 | 0 | 0 | 0 | 109.9 | R142 T146 V172 L173 S174 | R142-H183 WeakPolarHBondContact CG-NE2 3.36Å; R142-H183 PolarHBondContact NE-CD2 3.4Å; R142-H183 PolarHBondContact NE-NE2 3.31Å; T146-H183 PolarHBondContact OG1-NE2 3.4Å; V172-H183 HydrophobicContact CG1-CB 3.89Å; L173-H183 CarbonylContact O-C 3.59Å; L173-H183 WeakPolarHBondContact O-CA 3.49Å; S174-H183 PolarHBondContact OG-ND1 3.27Å |
| 184 | Y | 95.8 | Very high | 89.9 | Confident | 40 Ų | 40 | 67 Ų | 67 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 116.4 | -178.1 | -58.4 | -87.1 | 0 | 0 | 0 | 109.5 | V172 L173 L175 H182 I186 I202 L227 P228 | V172-Y184 CarbonylContact C-O 3.48Å; V172-Y184 WeakPolarHBondContact CA-O 3.27Å; L173-Y184 HydrophobicContact CD2-CD2 4.17Å; L173-Y184 HydrophobicContact CG-CD2 4.39Å; L173-Y184 PolarHBondContact N-O 2.9Å; L173-Y184 PolarHBondContact O-N 3.5Å; L175-Y184 HydrophobicContact CB-CE2 4.17Å; L175-Y184 HydrophobicContact CD2-CE2 4.21Å; H182-Y184 HydrophobicContact CB-CD2 4.28Å; H182-Y184 HydrophobicContact CB-CE2 3.38Å; H182-Y184 WeakPolarHBondContact CB-OH 3.47Å; Y184-I186 PolarHBondContact O-N 2.85Å; Y184-I202 HydrophobicContact CD1-CG2 4.27Å; Y184-I202 HydrophobicContact CG-CG2 4.38Å; Y184-L227 HydrophobicContact CD1-CD2 3.9Å; Y184-L227 HydrophobicContact CD2-CD2 3.75Å; Y184-L227 HydrophobicContact CE1-CD2 3.83Å; Y184-L227 HydrophobicContact CE2-CD2 3.68Å; Y184-L227 HydrophobicContact CG-CD2 3.86Å; Y184-P228 WeakPolarHBondContact OH-CD 3.25Å |
| 185 | P | 94 | Very high | 88.5 | Confident | 70 Ų | 70 | 69.2 Ų | 69.2 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 128.6 | 174.5 | 28 | -32 | 0 | 0 | 0 | 109.7 | ||
| 186 | I | 94.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 107.3 | 169.5 | -55 | 170.4 | 0 | 0 | 0 | 106.3 | I161 F171 L173 Y184 Y200 I202 L212 L215 | I161-I186 HydrophobicContact CD1-CD1 3.85Å; I161-I186 HydrophobicContact CG1-CD1 4.31Å; I161-I186 HydrophobicContact CG2-CD1 4.04Å; F171-I186 HydrophobicContact CB-CB 4.08Å; F171-I186 HydrophobicContact CB-CD1 4.11Å; F171-I186 PolarHBondContact N-O 3.36Å; F171-I186 PolarHBondContact O-N 3.36Å; L173-I186 HydrophobicContact CB-CD1 4.17Å; L173-I186 HydrophobicContact CB-CG1 4.4Å; Y184-I186 PolarHBondContact O-N 2.85Å; I186-Y200 HydrophobicContact CG2-CD1 4.07Å; I186-Y200 HydrophobicContact CG2-CG 4.4Å; I186-I202 HydrophobicContact CG1-CD1 4.16Å; I186-I202 HydrophobicContact CG1-CG1 3.78Å; I186-L212 HydrophobicContact CD1-CD2 4.2Å; I186-L212 HydrophobicContact CG2-CD2 3.89Å; I186-L215 HydrophobicContact CD1-CD1 4.32Å; I186-L215 HydrophobicContact CD1-CD2 4.27Å; I186-L215 HydrophobicContact CG1-CD1 4.39Å; I186-L215 HydrophobicContact CG2-CD1 3.7Å |
| 187 | I | 89.8 | Confident | 86.7 | Confident | 61 Ų | 61 | 80.7 Ų | 80.7 | 31% | 0.313 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 152.7 | -179.9 | 62 | 168 | 0 | 0 | 0 | 110.3 | I189 Y200 S201 | I187-I189 HydrophobicContact CD1-CD1 4.19Å; I187-I189 HydrophobicContact CD1-CG1 4.16Å; I187-I189 HydrophobicContact CG1-CD1 4.48Å; I187-I189 HydrophobicContact CG1-CG1 4.32Å; I187-Y200 WeakPolarHBondContact O-CA 3.2Å; I187-S201 WeakPolarHBondContact CG1-O 3.46Å; I187-S201 PolarHBondContact N-O 3.16Å; I187-S201 PolarHBondContact O-N 2.79Å |
| 188 | W | 88 | Confident | 86.2 | Confident | 58 Ų | 58 | 81 Ų | 81 | 22% | 0.22 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 140.6 | 170.2 | 62.3 | -93.5 | 0 | 0 | 0 | 110.5 | L45 K190 V198 F199 Y200 | L45-W188 HydrophobicContact CD1-CE3 4.48Å; L45-W188 HydrophobicContact CD1-CH2 4.07Å; L45-W188 HydrophobicContact CD1-CZ2 4.41Å; L45-W188 HydrophobicContact CD1-CZ3 4.09Å; W188-K190 HydrophobicContact CE3-CG 4.08Å; W188-K190 HydrophobicContact CZ3-CD 3.76Å; W188-K190 HydrophobicContact CZ3-CG 3.74Å; W188-V198 HydrophobicContact CB-CG1 3.63Å; W188-V198 HydrophobicContact CD2-CG1 4.49Å; W188-V198 HydrophobicContact CE3-CG1 4.14Å; W188-V198 HydrophobicContact CG-CG1 4.35Å; W188-F199 CarbonylContact C-O 3.59Å; W188-F199 WeakPolarHBondContact CA-O 3.11Å; W188-Y200 HydrophobicContact CB-CD1 4.36Å; W188-Y200 HydrophobicContact CB-CE1 4.21Å |
| 189 | I | 86.1 | Confident | 86 | Confident | 38 Ų | 38 | 74 Ų | 74 | 20% | 0.195 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124 | -176 | -56.6 | 174.6 | 0 | 0 | 0 | 108 | I187 V198 F199 | I187-I189 HydrophobicContact CD1-CD1 4.19Å; I187-I189 HydrophobicContact CD1-CG1 4.16Å; I187-I189 HydrophobicContact CG1-CD1 4.48Å; I187-I189 HydrophobicContact CG1-CG1 4.32Å; I189-V198 WeakPolarHBondContact O-CA 3.44Å; I189-F199 PolarHBondContact N-O 3.2Å; I189-F199 PolarHBondContact O-N 3.39Å |
| 190 | K | 84.6 | Confident | 85.9 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.3 | 171.6 | -77.8 | -177.8 | -178.4 | -155.2 | 0 | 110.1 | E122 W188 V198 | E122-K190 IonicContact OE2-NZ 3.37Å; W188-K190 HydrophobicContact CE3-CG 4.08Å; W188-K190 HydrophobicContact CZ3-CD 3.76Å; W188-K190 HydrophobicContact CZ3-CG 3.74Å; K190-V198 HydrophobicContact CD-CG2 4.28Å; K190-V198 HydrophobicContact CG-CG2 3.65Å |
| 191 | E | 81.6 | Confident | 85.7 | Confident | 78 Ų | 78 | 63.2 Ų | 63.2 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | trans | -89.2 | 118.5 | 175.8 | -175.1 | 167.1 | -141 | 0 | 0 | 110.9 | K193 K197 F199 | E191-K193 VanDerWaalsContact C-N 3.25Å; E191-K193 HydrophobicContact CG-CB 4.5Å; E191-K193 PolarHBondContact O-N 2.8Å; E191-K197 PolarHBondContact N-O 3.38Å; E191-F199 HydrophobicContact CB-CD2 4.31Å; E191-F199 HydrophobicContact CB-CE2 3.92Å; E191-F199 WeakPolarHBondContact OE2-CE2 3.06Å | ||
| 192 | K | 76.3 | Confident | 85.6 | Confident | 150 Ų | 150 | 63 Ų | 63 | 65% | 0.652 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -10.1 | -175.2 | -66 | -175.8 | 176 | -177.6 | 0 | 114.8 | G41 D42 | G41-K192 PolarHBondContact O-NZ 3.28Å; D42-K192 PolarHBondContact O-NZ 2.88Å |
| 193 | K | 70.5 | Confident | 85.4 | Confident | 193 Ų | 193 | 61 Ų | 61 | 84% | 0.839 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -11.2 | -156.9 | -73.7 | -169.5 | 176 | -175.5 | 0 | 117.5 | E191 | E191-K193 VanDerWaalsContact C-N 3.25Å; E191-K193 HydrophobicContact CG-CB 4.5Å; E191-K193 PolarHBondContact O-N 2.8Å |
| 194 | A | 62.2 | Low | 85 | Confident | 87 Ų | 87 | 62 Ų | 62 | 72% | 0.719 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -154.2 | -12.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 195 | S | 68.2 | Low | 84.6 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 32% | 0.315 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 175.3 | 149.5 | -177.8 | 42.6 | 0 | 0 | 0 | 0 | 106.4 | K197 | S195-K197 PolarHBondContact O-N 3.48Å; S195-K197 WeakPolarHBondContact OG-CD 3.5Å; S195-K197 WeakPolarHBondContact OG-CE 3.46Å; S195-K197 WeakPolarHBondContact OG-CG 3.17Å |
| 196 | D | 74.8 | Confident | 84.5 | Confident | 135 Ų | 135 | 65.8 Ų | 65.8 | 72% | 0.722 | 34% | 0.341 | S | S | * | . | trans | -67.4 | 52.9 | 172.2 | -84.5 | -31.7 | 0 | 0 | 0 | 112 | ||||
| 197 | K | 83.1 | Confident | 84.4 | Confident | 107 Ų | 107 | 67.4 Ų | 67.4 | 47% | 0.465 | 35% | 0.351 | S | S | . | . | trans | -85.1 | 128.2 | 177.5 | -75.7 | 177.1 | -168.9 | 164.8 | 0 | 108.8 | E191 S195 F199 | E191-K197 PolarHBondContact N-O 3.38Å; S195-K197 PolarHBondContact O-N 3.48Å; S195-K197 WeakPolarHBondContact OG-CD 3.5Å; S195-K197 WeakPolarHBondContact OG-CE 3.46Å; S195-K197 WeakPolarHBondContact OG-CG 3.17Å; K197-F199 HydrophobicContact CB-CE2 3.87Å; K197-F199 HydrophobicContact CB-CZ 4.18Å | ||
| 198 | V | 85.8 | Confident | 84.5 | Confident | 11 Ų | 11 | 69.2 Ų | 69.2 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127.3 | 173.3 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | R126 W188 I189 K190 | R126-V198 VanDerWaalsContact NH1-CB 3.32Å; R126-V198 PolarHBondContact NH1-O 2.91Å; R126-V198 PolarHBondContact NH2-O 2.83Å; W188-V198 HydrophobicContact CB-CG1 3.63Å; W188-V198 HydrophobicContact CD2-CG1 4.49Å; W188-V198 HydrophobicContact CE3-CG1 4.14Å; W188-V198 HydrophobicContact CG-CG1 4.35Å; I189-V198 WeakPolarHBondContact O-CA 3.44Å; K190-V198 HydrophobicContact CD-CG2 4.28Å; K190-V198 HydrophobicContact CG-CG2 3.65Å |
| 199 | F | 90.5 | Very high | 84.7 | Confident | 21 Ų | 21 | 67.2 Ų | 67.2 | 9% | 0.092 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 153.8 | 176.1 | -63.3 | -88.3 | 0 | 0 | 0 | 111.2 | W188 I189 E191 K197 K208 F209 H210 | W188-F199 CarbonylContact C-O 3.59Å; W188-F199 WeakPolarHBondContact CA-O 3.11Å; I189-F199 PolarHBondContact N-O 3.2Å; I189-F199 PolarHBondContact O-N 3.39Å; E191-F199 HydrophobicContact CB-CD2 4.31Å; E191-F199 HydrophobicContact CB-CE2 3.92Å; E191-F199 WeakPolarHBondContact OE2-CE2 3.06Å; K197-F199 HydrophobicContact CB-CE2 3.87Å; K197-F199 HydrophobicContact CB-CZ 4.18Å; F199-K208 HydrophobicContact CB-CB 3.98Å; F199-K208 HydrophobicContact CB-CD 4.31Å; F199-K208 HydrophobicContact CB-CG 4.41Å; F199-K208 HydrophobicContact CD1-CB 4.08Å; F199-K208 HydrophobicContact CD2-CD 4.42Å; F199-K208 HydrophobicContact CG-CB 4.16Å; F199-K208 HydrophobicContact CG-CD 4.27Å; F199-F209 CarbonylContact C-O 3.6Å; F199-F209 VanDerWaalsContact CA-O 3.26Å; F199-F209 WeakPolarHBondContact CA-O 3.41Å; F199-H210 AromaticContact CE1-CE1 3.39Å; F199-H210 WeakPolarHBondContact CE1-CE1 3.33Å; F199-H210 AromaticContact CE1-ND1 3.62Å |
| 200 | Y | 92 | Very high | 84.9 | Confident | 12 Ų | 12 | 69.1 Ų | 69.1 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 143.9 | 173 | -62.3 | -77.7 | 0 | 0 | 0 | 111.2 | R126 F171 I186 I187 W188 K208 F209 H210 L212 | R126-Y200 WeakPolarHBondContact CD-OH 3.43Å; R126-Y200 VanDerWaalsContact NH1-CE2 3.32Å; R126-Y200 PolarHBondContact NH1-OH 3.18Å; F171-Y200 HydrophobicContact CD2-CD1 4.32Å; F171-Y200 AromaticContact CD2-CE1 3.96Å; F171-Y200 HydrophobicContact CD2-CE1 3.96Å; F171-Y200 HydrophobicContact CE2-CD1 4.43Å; F171-Y200 AromaticContact CE2-CE1 3.65Å; F171-Y200 HydrophobicContact CE2-CE1 3.65Å; I186-Y200 HydrophobicContact CG2-CD1 4.07Å; I186-Y200 HydrophobicContact CG2-CG 4.4Å; I187-Y200 WeakPolarHBondContact O-CA 3.2Å; W188-Y200 HydrophobicContact CB-CD1 4.36Å; W188-Y200 HydrophobicContact CB-CE1 4.21Å; Y200-K208 WeakPolarHBondContact O-CA 3.49Å; Y200-F209 PolarHBondContact N-O 3.36Å; Y200-F209 WeakPolarHBondContact O-CD2 3.33Å; Y200-F209 PolarHBondContact O-N 3.34Å; Y200-H210 WeakPolarHBondContact CE2-O 3.4Å; Y200-L212 HydrophobicContact CD1-CD2 3.95Å; Y200-L212 HydrophobicContact CD2-CD2 4.35Å; Y200-L212 HydrophobicContact CE1-CD2 4.4Å; Y200-L212 HydrophobicContact CG-CD2 3.92Å |
| 201 | S | 92.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 144.6 | 178.3 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | I187 D203 G205 T207 | I187-S201 WeakPolarHBondContact CG1-O 3.46Å; I187-S201 PolarHBondContact N-O 3.16Å; I187-S201 PolarHBondContact O-N 2.79Å; S201-D203 PolarHBondContact OG-N 2.66Å; S201-D203 PolarHBondContact OG-OD1 3.25Å; S201-G205 WeakPolarHBondContact OG-CA 3.18Å; S201-G205 PolarHBondContact OG-N 3.48Å; S201-T207 WeakPolarHBondContact CB-O 3.22Å; S201-T207 PolarHBondContact OG-O 3.44Å |
| 202 | I | 94 | Very high | 85.7 | Confident | 21 Ų | 21 | 62.9 Ų | 62.9 | 11% | 0.108 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -95.4 | -28 | 169.8 | -71.1 | 174 | 0 | 0 | 0 | 111.3 | L173 Y184 I186 L215 Y219 | L173-I202 HydrophobicContact CB-CD1 4.38Å; L173-I202 HydrophobicContact CD2-CD1 3.7Å; Y184-I202 HydrophobicContact CD1-CG2 4.27Å; Y184-I202 HydrophobicContact CG-CG2 4.38Å; I186-I202 HydrophobicContact CG1-CD1 4.16Å; I186-I202 HydrophobicContact CG1-CG1 3.78Å; I202-L215 HydrophobicContact CD1-CD1 4.42Å; I202-L215 HydrophobicContact CD1-CD2 3.95Å; I202-L215 HydrophobicContact CG1-CD1 4.29Å; I202-Y219 HydrophobicContact CB-CE2 4.49Å; I202-Y219 HydrophobicContact CD1-CD2 4.11Å; I202-Y219 HydrophobicContact CD1-CE2 3.73Å; I202-Y219 HydrophobicContact CG1-CE2 4.37Å |
| 203 | D | 92.2 | Very high | 86.5 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 16% | 0.155 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -103.7 | 24.3 | -167.1 | 63.7 | 11.7 | 0 | 0 | 0 | 113.9 | S201 G205 K206 T207 C226 | S201-D203 PolarHBondContact OG-N 2.66Å; S201-D203 PolarHBondContact OG-OD1 3.25Å; D203-G205 VanDerWaalsContact C-N 3.29Å; D203-G205 PolarHBondContact O-N 3.4Å; D203-G205 PolarHBondContact OD1-N 2.92Å; D203-K206 PolarHBondContact OD1-N 3.37Å; D203-K206 WeakPolarHBondContact OD2-CB 3.44Å; D203-T207 VanDerWaalsContact CG-N 3.35Å; D203-T207 PolarHBondContact OD1-N 2.91Å; D203-T207 PolarHBondContact OD1-OG1 2.92Å; D203-T207 WeakPolarHBondContact OD2-CB 3.45Å; D203-T207 WeakPolarHBondContact OD2-CG2 3.36Å; D203-T207 PolarHBondContact OD2-N 3.39Å; D203-T207 PolarHBondContact OD2-OG1 3.24Å; D203-C226 HydrophobicContact CB-CB 4.08Å |
| 204 | G | 87.3 | Confident | 87.5 | Confident | 60 Ų | 60 | 52 Ų | 52 | 62% | 0.619 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 75 | 16.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 205 | G | 89.5 | Confident | 89.1 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 11% | 0.113 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 101.6 | 10.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | S201 D203 K208 | S201-G205 WeakPolarHBondContact OG-CA 3.18Å; S201-G205 PolarHBondContact OG-N 3.48Å; D203-G205 VanDerWaalsContact C-N 3.29Å; D203-G205 PolarHBondContact O-N 3.4Å; D203-G205 PolarHBondContact OD1-N 2.92Å; G205-K208 WeakPolarHBondContact O-CE 3.31Å; G205-K208 PolarHBondContact O-NZ 3.11Å |
| 206 | K | 90.1 | Very high | 90.4 | Very high | 179 Ų | 179 | 46 Ų | 46 | 78% | 0.778 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -69.4 | -43.8 | 172.1 | -58.7 | 174.9 | 179.9 | 175.8 | 0 | 109.9 | D203 | D203-K206 PolarHBondContact OD1-N 3.37Å; D203-K206 WeakPolarHBondContact OD2-CB 3.44Å |
| 207 | T | 92.1 | Very high | 91.4 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 21% | 0.209 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -108.4 | 138.9 | 166.4 | 57.2 | 0 | 0 | 0 | 0 | 109.6 | S201 D203 F218 Y219 | S201-T207 WeakPolarHBondContact CB-O 3.22Å; S201-T207 PolarHBondContact OG-O 3.44Å; D203-T207 VanDerWaalsContact CG-N 3.35Å; D203-T207 PolarHBondContact OD1-N 2.91Å; D203-T207 PolarHBondContact OD1-OG1 2.92Å; D203-T207 WeakPolarHBondContact OD2-CB 3.45Å; D203-T207 WeakPolarHBondContact OD2-CG2 3.36Å; D203-T207 PolarHBondContact OD2-N 3.39Å; D203-T207 PolarHBondContact OD2-OG1 3.24Å; T207-F218 HydrophobicContact CG2-CZ 4.5Å; T207-Y219 PolarHBondContact OG1-OH 3.49Å |
| 208 | K | 92.7 | Very high | 91.9 | Very high | 99 Ų | 99 | 42.1 Ų | 42.1 | 43% | 0.43 | 22% | 0.217 | S | C | . | . | trans | -133.2 | 134.7 | -174.4 | -63 | -172.5 | -171 | 69.9 | 0 | 109.5 | F199 Y200 G205 | F199-K208 HydrophobicContact CB-CB 3.98Å; F199-K208 HydrophobicContact CB-CD 4.31Å; F199-K208 HydrophobicContact CB-CG 4.41Å; F199-K208 HydrophobicContact CD1-CB 4.08Å; F199-K208 HydrophobicContact CD2-CD 4.42Å; F199-K208 HydrophobicContact CG-CB 4.16Å; F199-K208 HydrophobicContact CG-CD 4.27Å; Y200-K208 WeakPolarHBondContact O-CA 3.49Å; G205-K208 WeakPolarHBondContact O-CE 3.31Å; G205-K208 PolarHBondContact O-NZ 3.11Å | ||
| 209 | F | 92.5 | Very high | 92.5 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 7% | 0.066 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -124.7 | 147.4 | -178.8 | -53.5 | -78.3 | 0 | 0 | 0 | 110.3 | F199 Y200 Q214 L215 F218 Y219 | F199-F209 CarbonylContact C-O 3.6Å; F199-F209 VanDerWaalsContact CA-O 3.26Å; F199-F209 WeakPolarHBondContact CA-O 3.41Å; Y200-F209 PolarHBondContact N-O 3.36Å; Y200-F209 WeakPolarHBondContact O-CD2 3.33Å; Y200-F209 PolarHBondContact O-N 3.34Å; F209-Q214 HydrophobicContact CB-CB 4.36Å; F209-Q214 HydrophobicContact CD1-CB 4.32Å; F209-L215 HydrophobicContact CB-CB 3.91Å; F209-L215 HydrophobicContact CD1-CB 4.32Å; F209-L215 HydrophobicContact CD2-CB 3.69Å; F209-L215 HydrophobicContact CD2-CD1 3.76Å; F209-L215 HydrophobicContact CD2-CG 3.68Å; F209-L215 HydrophobicContact CE2-CB 4.32Å; F209-L215 HydrophobicContact CE2-CD1 4.31Å; F209-L215 HydrophobicContact CE2-CG 3.99Å; F209-L215 HydrophobicContact CG-CB 3.68Å; F209-L215 HydrophobicContact CG-CG 4.22Å; F209-F218 HydrophobicContact CD1-CB 4.33Å; F209-F218 HydrophobicContact CE1-CB 3.4Å; F209-F218 VanDerWaalsContact CE1-CB 3.4Å; F209-F218 AromaticContact CE1-CD1 3.88Å; F209-F218 HydrophobicContact CE1-CD1 3.88Å; F209-F218 HydrophobicContact CE1-CD2 4.1Å; F209-F218 AromaticContact CE1-CG 3.52Å; F209-F218 HydrophobicContact CE1-CG 3.52Å; F209-F218 HydrophobicContact CZ-CB 3.86Å; F209-F218 AromaticContact CZ-CD1 3.46Å; F209-F218 HydrophobicContact CZ-CD1 3.46Å; F209-F218 VanDerWaalsContact CZ-CD1 3.46Å; F209-F218 HydrophobicContact CZ-CD2 4.4Å; F209-F218 HydrophobicContact CZ-CE1 4.08Å; F209-F218 AromaticContact CZ-CG 3.65Å; F209-F218 HydrophobicContact CZ-CG 3.65Å; F209-Y219 AromaticContact CE2-CE2 3.72Å; F209-Y219 HydrophobicContact CE2-CE2 3.72Å; F209-Y219 AromaticContact CZ-CE2 3.98Å; F209-Y219 HydrophobicContact CZ-CE2 3.98Å |
| 210 | H | 89.8 | Confident | 92.7 | Very high | 78 Ų | 78 | 46.9 Ų | 46.9 | 36% | 0.361 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -73.4 | -37.6 | 179.6 | -74.8 | -72.7 | 0 | 0 | 0 | 112.6 | F199 Y200 | F199-H210 AromaticContact CE1-CE1 3.39Å; F199-H210 WeakPolarHBondContact CE1-CE1 3.33Å; F199-H210 AromaticContact CE1-ND1 3.62Å; Y200-H210 WeakPolarHBondContact CE2-O 3.4Å |
| 211 | D | 90.3 | Very high | 92.9 | Very high | 33 Ų | 33 | 51.4 Ų | 51.4 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -138.3 | 176.3 | -178.3 | 53.8 | 45.6 | 0 | 0 | 0 | 109.6 | I213 Q214 | D211-I213 VanDerWaalsContact C-N 3.31Å; D211-I213 PolarHBondContact OD1-N 3.37Å; D211-I213 VanDerWaalsContact OD1-N 3.11Å; D211-Q214 VanDerWaalsContact OD1-CB 3.31Å; D211-Q214 WeakPolarHBondContact OD1-CB 3.26Å; D211-Q214 VanDerWaalsContact OD1-CG 3.28Å; D211-Q214 WeakPolarHBondContact OD1-CG 3.03Å; D211-Q214 PolarHBondContact OD1-N 2.84Å; D211-Q214 PolarHBondContact OD2-NE2 3.48Å; D211-Q214 VanDerWaalsContact OD2-NE2 3.12Å |
| 212 | L | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -75.8 | -22.2 | 176.8 | -58.2 | -177.1 | 0 | 0 | 0 | 112.3 | N130 W135 F136 I161 F171 I186 Y200 L215 V216 | N130-L212 HydrophobicContact CB-CD1 4.22Å; N130-L212 VanDerWaalsContact OD1-CB 3.31Å; N130-L212 WeakPolarHBondContact OD1-CB 3.27Å; N130-L212 WeakPolarHBondContact OD1-CD1 3.35Å; N130-L212 WeakPolarHBondContact OD1-CG 3.37Å; W135-L212 HydrophobicContact CH2-CB 3.71Å; W135-L212 HydrophobicContact CZ3-CB 4.17Å; F136-L212 HydrophobicContact CD2-CD1 4.26Å; F136-L212 HydrophobicContact CE2-CD1 4.2Å; I161-L212 HydrophobicContact CG2-CD1 4.17Å; F171-L212 HydrophobicContact CB-CD1 4.34Å; F171-L212 HydrophobicContact CD1-CD1 4.06Å; F171-L212 HydrophobicContact CD2-CD1 3.65Å; F171-L212 HydrophobicContact CD2-CD2 3.8Å; F171-L212 HydrophobicContact CD2-CG 4.17Å; F171-L212 HydrophobicContact CE1-CD1 4.23Å; F171-L212 HydrophobicContact CE2-CD1 3.83Å; F171-L212 HydrophobicContact CE2-CD2 4.29Å; F171-L212 HydrophobicContact CE2-CG 4.3Å; F171-L212 HydrophobicContact CG-CD1 3.74Å; F171-L212 HydrophobicContact CG-CD2 4.41Å; F171-L212 HydrophobicContact CZ-CD1 4.11Å; I186-L212 HydrophobicContact CD1-CD2 4.2Å; I186-L212 HydrophobicContact CG2-CD2 3.89Å; Y200-L212 HydrophobicContact CD1-CD2 3.95Å; Y200-L212 HydrophobicContact CD2-CD2 4.35Å; Y200-L212 HydrophobicContact CE1-CD2 4.4Å; Y200-L212 HydrophobicContact CG-CD2 3.92Å; L212-L215 WeakPolarHBondContact O-CB 3.41Å; L212-L215 PolarHBondContact O-N 2.97Å; L212-V216 WeakPolarHBondContact O-CG2 3.26Å; L212-V216 PolarHBondContact O-N 3.18Å |
| 213 | I | 92.6 | Very high | 92.9 | Very high | 41 Ų | 41 | 56.3 Ų | 56.3 | 21% | 0.21 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66 | -52.1 | -178.9 | -59.1 | 171.8 | 0 | 0 | 0 | 109.2 | Q133 W135 D211 L215 V216 E217 | Q133-I213 HydrophobicContact CG-CD1 4.41Å; Q133-I213 HydrophobicContact CG-CG1 4.11Å; W135-I213 HydrophobicContact CZ2-CG1 4.19Å; D211-I213 VanDerWaalsContact C-N 3.31Å; D211-I213 PolarHBondContact OD1-N 3.37Å; D211-I213 VanDerWaalsContact OD1-N 3.11Å; I213-L215 VanDerWaalsContact C-N 3.26Å; I213-L215 PolarHBondContact O-N 2.89Å; I213-V216 PolarHBondContact O-N 2.83Å; I213-V216 VanDerWaalsContact O-N 3.13Å; I213-E217 WeakPolarHBondContact O-CG 3.33Å; I213-E217 PolarHBondContact O-N 3.3Å |
| 214 | Q | 93 | Very high | 92.7 | Very high | 74 Ų | 74 | 56 Ų | 56 | 35% | 0.346 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.8 | -37.4 | 175 | -71.6 | 175.7 | 33.4 | 0 | 0 | 112.1 | F209 D211 F218 | F209-Q214 HydrophobicContact CB-CB 4.36Å; F209-Q214 HydrophobicContact CD1-CB 4.32Å; D211-Q214 VanDerWaalsContact OD1-CB 3.31Å; D211-Q214 WeakPolarHBondContact OD1-CB 3.26Å; D211-Q214 VanDerWaalsContact OD1-CG 3.28Å; D211-Q214 WeakPolarHBondContact OD1-CG 3.03Å; D211-Q214 PolarHBondContact OD1-N 2.84Å; D211-Q214 PolarHBondContact OD2-NE2 3.48Å; D211-Q214 VanDerWaalsContact OD2-NE2 3.12Å; Q214-F218 VanDerWaalsContact O-CB 3.32Å; Q214-F218 WeakPolarHBondContact O-CB 3.47Å; Q214-F218 PolarHBondContact O-N 3.44Å |
| 215 | L | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -50.4 | 174.9 | -177.5 | 155.5 | 0 | 0 | 0 | 110.3 | I161 I186 I202 F209 L212 I213 F218 Y219 | I161-L215 HydrophobicContact CD1-CD2 4.46Å; I186-L215 HydrophobicContact CD1-CD1 4.32Å; I186-L215 HydrophobicContact CD1-CD2 4.27Å; I186-L215 HydrophobicContact CG1-CD1 4.39Å; I186-L215 HydrophobicContact CG2-CD1 3.7Å; I202-L215 HydrophobicContact CD1-CD1 4.42Å; I202-L215 HydrophobicContact CD1-CD2 3.95Å; I202-L215 HydrophobicContact CG1-CD1 4.29Å; F209-L215 HydrophobicContact CB-CB 3.91Å; F209-L215 HydrophobicContact CD1-CB 4.32Å; F209-L215 HydrophobicContact CD2-CB 3.69Å; F209-L215 HydrophobicContact CD2-CD1 3.76Å; F209-L215 HydrophobicContact CD2-CG 3.68Å; F209-L215 HydrophobicContact CE2-CB 4.32Å; F209-L215 HydrophobicContact CE2-CD1 4.31Å; F209-L215 HydrophobicContact CE2-CG 3.99Å; F209-L215 HydrophobicContact CG-CB 3.68Å; F209-L215 HydrophobicContact CG-CG 4.22Å; L212-L215 WeakPolarHBondContact O-CB 3.41Å; L212-L215 PolarHBondContact O-N 2.97Å; I213-L215 VanDerWaalsContact C-N 3.26Å; I213-L215 PolarHBondContact O-N 2.89Å; L215-F218 PolarHBondContact O-N 2.96Å; L215-Y219 HydrophobicContact CD2-CD2 3.77Å; L215-Y219 HydrophobicContact CD2-CE2 4.12Å; L215-Y219 HydrophobicContact CG-CD2 3.94Å; L215-Y219 HydrophobicContact CG-CE2 3.94Å; L215-Y219 WeakPolarHBondContact O-CD2 3.48Å; L215-Y219 PolarHBondContact O-N 3.24Å |
| 216 | V | 95.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 65.6 Ų | 65.6 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -49.1 | 178.9 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | W135 F159 I161 L212 I213 F218 Y219 R220 L231 | W135-V216 HydrophobicContact CD2-CG2 4.17Å; W135-V216 HydrophobicContact CE3-CG2 4.13Å; W135-V216 HydrophobicContact CH2-CG2 3.85Å; W135-V216 HydrophobicContact CZ2-CB 4.25Å; W135-V216 HydrophobicContact CZ2-CG2 3.85Å; W135-V216 HydrophobicContact CZ3-CG2 4Å; F159-V216 HydrophobicContact CE2-CG1 4Å; F159-V216 HydrophobicContact CE2-CG2 4.14Å; F159-V216 HydrophobicContact CZ-CG1 3.66Å; I161-V216 HydrophobicContact CD1-CG2 3.43Å; I161-V216 VanDerWaalsContact CD1-CG2 3.43Å; L212-V216 WeakPolarHBondContact O-CG2 3.26Å; L212-V216 PolarHBondContact O-N 3.18Å; I213-V216 PolarHBondContact O-N 2.83Å; I213-V216 VanDerWaalsContact O-N 3.13Å; V216-F218 VanDerWaalsContact C-N 3.29Å; V216-F218 PolarHBondContact O-N 3.31Å; V216-Y219 PolarHBondContact O-N 3.07Å; V216-Y219 VanDerWaalsContact O-N 3.12Å; V216-R220 HydrophobicContact CG1-CG 4.28Å; V216-R220 VanDerWaalsContact O-CG 3.3Å; V216-R220 WeakPolarHBondContact O-CG 3.5Å; V216-R220 PolarHBondContact O-N 3.41Å; V216-L231 HydrophobicContact CG1-CD1 4.33Å |
| 217 | E | 94.5 | Very high | 93.1 | Very high | 120 Ų | 120 | 57.5 Ų | 57.5 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -55.1 | -44.6 | 178.3 | -74.4 | 178.9 | 171.1 | 0 | 0 | 112.2 | I213 R220 | I213-E217 WeakPolarHBondContact O-CG 3.33Å; I213-E217 PolarHBondContact O-N 3.3Å; E217-R220 PolarHBondContact O-N 3.16Å |
| 218 | F | 95.5 | Very high | 93.2 | Very high | 41 Ų | 41 | 59.2 Ų | 59.2 | 18% | 0.18 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 176.3 | 176.3 | -92.9 | 0 | 0 | 0 | 111.9 | A26 T207 F209 Q214 L215 V216 R220 V221 N222 | A26-F218 HydrophobicContact CB-CE2 4.4Å; T207-F218 HydrophobicContact CG2-CZ 4.5Å; F209-F218 HydrophobicContact CD1-CB 4.33Å; F209-F218 HydrophobicContact CE1-CB 3.4Å; F209-F218 VanDerWaalsContact CE1-CB 3.4Å; F209-F218 AromaticContact CE1-CD1 3.88Å; F209-F218 HydrophobicContact CE1-CD1 3.88Å; F209-F218 HydrophobicContact CE1-CD2 4.1Å; F209-F218 AromaticContact CE1-CG 3.52Å; F209-F218 HydrophobicContact CE1-CG 3.52Å; F209-F218 HydrophobicContact CZ-CB 3.86Å; F209-F218 AromaticContact CZ-CD1 3.46Å; F209-F218 HydrophobicContact CZ-CD1 3.46Å; F209-F218 VanDerWaalsContact CZ-CD1 3.46Å; F209-F218 HydrophobicContact CZ-CD2 4.4Å; F209-F218 HydrophobicContact CZ-CE1 4.08Å; F209-F218 AromaticContact CZ-CG 3.65Å; F209-F218 HydrophobicContact CZ-CG 3.65Å; Q214-F218 VanDerWaalsContact O-CB 3.32Å; Q214-F218 WeakPolarHBondContact O-CB 3.47Å; Q214-F218 PolarHBondContact O-N 3.44Å; L215-F218 PolarHBondContact O-N 2.96Å; V216-F218 VanDerWaalsContact C-N 3.29Å; V216-F218 PolarHBondContact O-N 3.31Å; F218-R220 VanDerWaalsContact C-N 3.26Å; F218-R220 PolarHBondContact O-N 2.91Å; F218-V221 VanDerWaalsContact O-CG2 3.32Å; F218-V221 WeakPolarHBondContact O-CG2 3.37Å; F218-V221 PolarHBondContact O-N 3.26Å; F218-N222 HydrophobicContact CD1-CB 4.38Å; F218-N222 HydrophobicContact CE1-CB 3.9Å; F218-N222 HydrophobicContact CE2-CB 4.08Å; F218-N222 HydrophobicContact CZ-CB 3.74Å; F218-N222 PolarHBondContact O-N 2.75Å |
| 219 | Y | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -76 | -12.2 | -176 | -74 | -66.2 | 0 | 0 | 0 | 114.4 | I202 T207 F209 L215 V216 V221 N222 C226 L227 V230 L231 | I202-Y219 HydrophobicContact CB-CE2 4.49Å; I202-Y219 HydrophobicContact CD1-CD2 4.11Å; I202-Y219 HydrophobicContact CD1-CE2 3.73Å; I202-Y219 HydrophobicContact CG1-CE2 4.37Å; T207-Y219 PolarHBondContact OG1-OH 3.49Å; F209-Y219 AromaticContact CE2-CE2 3.72Å; F209-Y219 HydrophobicContact CE2-CE2 3.72Å; F209-Y219 AromaticContact CZ-CE2 3.98Å; F209-Y219 HydrophobicContact CZ-CE2 3.98Å; L215-Y219 HydrophobicContact CD2-CD2 3.77Å; L215-Y219 HydrophobicContact CD2-CE2 4.12Å; L215-Y219 HydrophobicContact CG-CD2 3.94Å; L215-Y219 HydrophobicContact CG-CE2 3.94Å; L215-Y219 WeakPolarHBondContact O-CD2 3.48Å; L215-Y219 PolarHBondContact O-N 3.24Å; V216-Y219 PolarHBondContact O-N 3.07Å; V216-Y219 VanDerWaalsContact O-N 3.12Å; Y219-V221 VanDerWaalsContact C-N 3.3Å; Y219-N222 CarbonylContact C-O 3.52Å; Y219-N222 VanDerWaalsContact CA-O 3.24Å; Y219-N222 WeakPolarHBondContact CA-O 3.37Å; Y219-N222 WeakPolarHBondContact CD1-O 3.44Å; Y219-C226 WeakPolarHBondContact CE1-SG 3.33Å; Y219-C226 PolarHBondContact OH-SG 3.19Å; Y219-L227 HydrophobicContact CD1-CD1 3.45Å; Y219-L227 VanDerWaalsContact CD1-CD1 3.45Å; Y219-L227 HydrophobicContact CD1-CG 3.98Å; Y219-L227 HydrophobicContact CD2-CD1 4.48Å; Y219-L227 HydrophobicContact CE1-CD1 4.07Å; Y219-L227 HydrophobicContact CE1-CG 4.14Å; Y219-L227 HydrophobicContact CG-CD1 3.69Å; Y219-V230 WeakPolarHBondContact O-CA 3.5Å; Y219-L231 PolarHBondContact O-N 3.17Å |
| 220 | R | 95.8 | Very high | 93.6 | Very high | 132 Ų | 132 | 58.9 Ų | 58.9 | 50% | 0.498 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.8 | -24.8 | 168.3 | -73.4 | -179 | 78.2 | 178.4 | 5.1 | 113.3 | V216 E217 F218 L231 | V216-R220 HydrophobicContact CG1-CG 4.28Å; V216-R220 VanDerWaalsContact O-CG 3.3Å; V216-R220 WeakPolarHBondContact O-CG 3.5Å; V216-R220 PolarHBondContact O-N 3.41Å; E217-R220 PolarHBondContact O-N 3.16Å; F218-R220 VanDerWaalsContact C-N 3.26Å; F218-R220 PolarHBondContact O-N 2.91Å; R220-L231 HydrophobicContact CG-CB 3.8Å |
| 221 | V | 95.4 | Very high | 94 | Very high | 107 Ų | 107 | 55.4 Ų | 55.4 | 65% | 0.648 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -114.6 | -18.5 | -178.8 | -66.8 | 0 | 0 | 0 | 0 | 113.6 | F218 Y219 | F218-V221 VanDerWaalsContact O-CG2 3.32Å; F218-V221 WeakPolarHBondContact O-CG2 3.37Å; F218-V221 PolarHBondContact O-N 3.26Å; Y219-V221 VanDerWaalsContact C-N 3.3Å |
| 222 | N | 94.6 | Very high | 94.2 | Very high | 76 Ų | 76 | 55.2 Ų | 55.2 | 41% | 0.406 | 29% | 0.286 | S | S | . | . | trans | -135.4 | 141.7 | -178.3 | -62.8 | -67.9 | 0 | 0 | 0 | 111.1 | F218 Y219 | F218-N222 HydrophobicContact CD1-CB 4.38Å; F218-N222 HydrophobicContact CE1-CB 3.9Å; F218-N222 HydrophobicContact CE2-CB 4.08Å; F218-N222 HydrophobicContact CZ-CB 3.74Å; F218-N222 PolarHBondContact O-N 2.75Å; Y219-N222 CarbonylContact C-O 3.52Å; Y219-N222 VanDerWaalsContact CA-O 3.24Å; Y219-N222 WeakPolarHBondContact CA-O 3.37Å; Y219-N222 WeakPolarHBondContact CD1-O 3.44Å | ||
| 223 | T | 93.1 | Very high | 94.3 | Very high | 48 Ų | 48 | 59.3 Ų | 59.3 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | trans | -83.5 | -15.2 | 174.8 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | Y225 C226 L227 V230 | T223-Y225 PolarHBondContact O-N 2.84Å; T223-C226 PolarHBondContact O-N 3.44Å; T223-L227 WeakPolarHBondContact CB-O 3.05Å; T223-L227 PolarHBondContact O-N 3.38Å; T223-V230 HydrophobicContact CG2-CG1 3.86Å | ||
| 224 | G | 87.6 | Confident | 94.4 | Very high | 22 Ų | 22 | 61.9 Ų | 61.9 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 15.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | C226 | G224-C226 PolarHBondContact O-N 2.89Š|
| 225 | Y | 87.6 | Confident | 94.4 | Very high | 237 Ų | 237 | 58.5 Ų | 58.5 | 93% | 0.929 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 0.2 | -169.7 | -53.5 | -78.8 | 0 | 0 | 0 | 115.7 | T223 | T223-Y225 PolarHBondContact O-N 2.84Š|
| 226 | C | 92.6 | Very high | 94 | Very high | 35 Ų | 35 | 61.5 Ų | 61.5 | 24% | 0.236 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -22.5 | 176.3 | 63.9 | 0 | 0 | 0 | 0 | 112.9 | D203 Y219 T223 G224 | D203-C226 HydrophobicContact CB-CB 4.08Å; Y219-C226 WeakPolarHBondContact CE1-SG 3.33Å; Y219-C226 PolarHBondContact OH-SG 3.19Å; T223-C226 PolarHBondContact O-N 3.44Å; G224-C226 PolarHBondContact O-N 2.89Å |
| 227 | L | 94.9 | Very high | 92.6 | Very high | 9 Ų | 9 | 64.7 Ų | 64.7 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -104.1 | 144.5 | 173.7 | -56.1 | -174.6 | 0 | 0 | 0 | 110.6 | L173 Y184 Y219 T223 I229 L231 | L173-L227 HydrophobicContact CD2-CD1 4.03Å; L173-L227 HydrophobicContact CD2-CD2 4.08Å; Y184-L227 HydrophobicContact CD1-CD2 3.9Å; Y184-L227 HydrophobicContact CD2-CD2 3.75Å; Y184-L227 HydrophobicContact CE1-CD2 3.83Å; Y184-L227 HydrophobicContact CE2-CD2 3.68Å; Y184-L227 HydrophobicContact CG-CD2 3.86Å; Y219-L227 HydrophobicContact CD1-CD1 3.45Å; Y219-L227 VanDerWaalsContact CD1-CD1 3.45Å; Y219-L227 HydrophobicContact CD1-CG 3.98Å; Y219-L227 HydrophobicContact CD2-CD1 4.48Å; Y219-L227 HydrophobicContact CE1-CD1 4.07Å; Y219-L227 HydrophobicContact CE1-CG 4.14Å; Y219-L227 HydrophobicContact CG-CD1 3.69Å; T223-L227 WeakPolarHBondContact CB-O 3.05Å; T223-L227 PolarHBondContact O-N 3.38Å; L227-I229 VanDerWaalsContact C-N 3.34Å; L227-I229 WeakPolarHBondContact CB-O 3.33Å; L227-L231 HydrophobicContact CD1-CD2 4.15Å; L227-L231 HydrophobicContact CD1-CG 4.48Å |
| 228 | P | 95 | Very high | 90.9 | Very high | 70 Ų | 70 | 66 Ų | 66 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -74 | -25.6 | 178.4 | 28.9 | -35.6 | 0 | 0 | 0 | 113 | V177 Y184 | V177-P228 HydrophobicContact CB-CG 4.33Å; V177-P228 HydrophobicContact CG1-CB 4.28Å; V177-P228 HydrophobicContact CG1-CG 3.91Å; V177-P228 HydrophobicContact CG2-CG 3.69Å; Y184-P228 WeakPolarHBondContact OH-CD 3.25Å |
| 229 | I | 96.5 | Very high | 88.9 | Confident | 47 Ų | 47 | 66.9 Ų | 66.9 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -145 | 162.7 | 180 | 60.8 | 176.6 | 0 | 0 | 0 | 109.4 | D156 G157 L175 V177 L227 | D156-I229 HydrophobicContact CB-CD1 4.14Å; G157-I229 VanDerWaalsContact CA-CD1 3.48Å; L175-I229 HydrophobicContact CD2-CG1 4.18Å; V177-I229 HydrophobicContact CB-CD1 4.42Å; V177-I229 HydrophobicContact CG1-CD1 4.22Å; V177-I229 HydrophobicContact CG2-CD1 3.9Å; V177-I229 HydrophobicContact CG2-CG1 4.04Å; L227-I229 VanDerWaalsContact C-N 3.34Å; L227-I229 WeakPolarHBondContact CB-O 3.33Å |
| 230 | V | 97.1 | Very high | 86.7 | Confident | 61 Ų | 61 | 74.4 Ų | 74.4 | 37% | 0.37 | 40% | 0.403 | S | S | . | . | trans | -72 | 157 | 172.8 | -64.9 | 0 | 0 | 0 | 0 | 111 | Y219 T223 G232 | Y219-V230 WeakPolarHBondContact O-CA 3.5Å; T223-V230 HydrophobicContact CG2-CG1 3.86Å; V230-G232 PolarHBondContact O-N 2.95Å | ||
| 231 | L | 97.3 | Very high | 84.6 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | trans | -70.5 | 125.8 | 173.9 | -58.8 | -176.1 | 0 | 0 | 0 | 110.3 | F159 L173 L175 V216 Y219 R220 L227 | F159-L231 HydrophobicContact CB-CD2 4Å; F159-L231 HydrophobicContact CD1-CB 3.75Å; F159-L231 HydrophobicContact CD1-CD1 4.42Å; F159-L231 HydrophobicContact CD1-CD2 4.15Å; F159-L231 HydrophobicContact CD1-CG 4.31Å; F159-L231 HydrophobicContact CD2-CD1 4.2Å; F159-L231 HydrophobicContact CD2-CD2 4.46Å; F159-L231 HydrophobicContact CE1-CB 3.8Å; F159-L231 HydrophobicContact CE1-CD1 4.38Å; F159-L231 HydrophobicContact CE2-CD1 4.16Å; F159-L231 HydrophobicContact CG-CB 4.37Å; F159-L231 HydrophobicContact CG-CD1 4.35Å; F159-L231 HydrophobicContact CG-CD2 3.95Å; F159-L231 HydrophobicContact CG-CG 4.44Å; F159-L231 HydrophobicContact CZ-CB 4.43Å; F159-L231 HydrophobicContact CZ-CD1 4.25Å; L173-L231 HydrophobicContact CD1-CD1 4.41Å; L173-L231 HydrophobicContact CD1-CD2 4.07Å; L173-L231 HydrophobicContact CD2-CD2 4.11Å; L175-L231 HydrophobicContact CD1-CD2 3.76Å; L175-L231 HydrophobicContact CD2-CD2 4.36Å; V216-L231 HydrophobicContact CG1-CD1 4.33Å; Y219-L231 PolarHBondContact O-N 3.17Å; R220-L231 HydrophobicContact CG-CB 3.8Å; L227-L231 HydrophobicContact CD1-CD2 4.15Å; L227-L231 HydrophobicContact CD1-CG 4.48Å | ||
| 232 | G | 95.4 | Very high | 82.3 | Confident | 29 Ų | 29 | 69.4 Ų | 69.4 | 30% | 0.299 | 39% | 0.389 | S | S | . | . | trans | -101.9 | -121 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G157 V230 | G157-G232 WeakPolarHBondContact O-CA 3.22Å; G157-G232 PolarHBondContact O-N 3.27Å; V230-G232 PolarHBondContact O-N 2.95Å | ||
| 233 | D | 95 | Very high | 80 | Confident | 86 Ų | 86 | 70.7 Ų | 70.7 | 46% | 0.46 | 40% | 0.403 | S | S | . | . | trans | -70 | 163.1 | 176.4 | -63.8 | -32 | 0 | 0 | 0 | 111.6 | K155 T158 F159 | K155-D233 VanDerWaalsContact CE-OD2 3.3Å; K155-D233 WeakPolarHBondContact CE-OD2 3.42Å; K155-D233 IonicContact NZ-OD2 2.66Å; K155-D233 PolarHBondContact NZ-OD2 3.3Å; T158-D233 CarbonylContact C-O 3.57Å; T158-D233 VanDerWaalsContact CA-O 3.24Å; T158-D233 WeakPolarHBondContact CA-O 3.41Å; F159-D233 WeakPolarHBondContact CD1-O 3.35Å; F159-D233 PolarHBondContact N-O 2.9Å | ||
| 234 | Y | 95.3 | Very high | 77.6 | Confident | 96 Ų | 96 | 77 Ų | 77 | 38% | 0.376 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -127.8 | 154.6 | 178.6 | 54.3 | -97.6 | 0 | 0 | 0 | 112.6 | P134 W135 F159 T236 | P134-Y234 HydrophobicContact CB-CD2 4.34Å; P134-Y234 HydrophobicContact CB-CE2 3.74Å; P134-Y234 HydrophobicContact CG-CD2 4.34Å; P134-Y234 HydrophobicContact CG-CE2 3.62Å; W135-Y234 HydrophobicContact CB-CD2 4.03Å; W135-Y234 HydrophobicContact CB-CG 3.8Å; F159-Y234 HydrophobicContact CE1-CD1 4.48Å; F159-Y234 HydrophobicContact CZ-CD1 4.48Å; F159-Y234 VanDerWaalsContact O-CA 3.24Å; F159-Y234 WeakPolarHBondContact O-CA 3.47Å; Y234-T236 HydrophobicContact CD2-CG2 4.17Å; Y234-T236 HydrophobicContact CE2-CG2 3.85Å |
| 235 | V | 92.4 | Very high | 75.3 | Confident | 3 Ų | 3 | 79.6 Ų | 79.6 | 2% | 0.018 | 45% | 0.449 | C | S | . | . | trans | -80.2 | 122.9 | 172.8 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | H137 I148 L149 L152 T158 F159 L160 V239 | H137-V235 PolarHBondContact NE2-O 3.38Å; I148-V235 HydrophobicContact CG2-CB 4.42Å; I148-V235 HydrophobicContact CG2-CG1 3.46Å; I148-V235 VanDerWaalsContact CG2-CG1 3.46Å; I148-V235 HydrophobicContact CG2-CG2 4.1Å; L149-V235 HydrophobicContact CD2-CG2 3.82Å; L152-V235 HydrophobicContact CD1-CG1 4.48Å; L152-V235 HydrophobicContact CD1-CG2 3.65Å; T158-V235 HydrophobicContact CG2-CG2 4.16Å; F159-V235 PolarHBondContact O-N 3.47Å; L160-V235 HydrophobicContact CB-CB 4.09Å; L160-V235 HydrophobicContact CB-CG2 4.29Å; L160-V235 HydrophobicContact CD2-CB 4.13Å; L160-V235 HydrophobicContact CD2-CG1 4.43Å; L160-V235 HydrophobicContact CD2-CG2 3.97Å; V235-V239 HydrophobicContact CG1-CG2 3.89Å | ||
| 236 | T | 87.2 | Confident | 72.7 | Confident | 63 Ų | 63 | 75.3 Ų | 75.3 | 39% | 0.387 | 44% | 0.442 | S | S | . | . | trans | -80.3 | 148 | 171.6 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | P134 Y234 I238 | P134-T236 HydrophobicContact CB-CG2 4.35Å; P134-T236 WeakPolarHBondContact O-CA 3.49Å; Y234-T236 HydrophobicContact CD2-CG2 4.17Å; Y234-T236 HydrophobicContact CE2-CG2 3.85Å; T236-I238 PolarHBondContact O-N 2.85Å | ||
| 237 | A | 65.5 | Low | 70 | Confident | 72 Ų | 72 | 81.5 Ų | 81.5 | 60% | 0.595 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -58.5 | 7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 238 | I | 59.2 | Low | 67.5 | Low | 149 Ų | 149 | 86.4 Ų | 86.4 | 76% | 0.764 | 50% | 0.502 | S | S | * | . | trans | -102.6 | 27.4 | -170.9 | -32.2 | 177.9 | 0 | 0 | 0 | 112.4 | T236 | T236-I238 PolarHBondContact O-N 2.85Š| ||
| 239 | V | 53.4 | Low | 64.9 | Low | 58 Ų | 58 | 91.2 Ų | 91.2 | 35% | 0.352 | 52% | 0.521 | S | S | . | . | trans | -103.8 | 94.4 | 173.5 | -142.8 | 0 | 0 | 0 | 0 | 107.1 | I148 V235 V241 | I148-V239 HydrophobicContact CG1-CB 4.47Å; I148-V239 HydrophobicContact CG2-CB 4.47Å; I148-V239 HydrophobicContact CG2-CG2 4Å; V235-V239 HydrophobicContact CG1-CG2 3.89Å; V239-V241 WeakPolarHBondContact O-CG2 3.4Å; V239-V241 PolarHBondContact O-N 3.43Å | ||
| 240 | D | 49.7 | Very low | 62.4 | Low | 158 Ų | 158 | 97.6 Ų | 97.6 | 85% | 0.845 | 55% | 0.549 | S | S | * | . | trans | -59 | 95.8 | 162.6 | -71.8 | -43.5 | 0 | 0 | 0 | 106.8 | P242 | D240-P242 VanDerWaalsContact O-CD 3.3Å; D240-P242 WeakPolarHBondContact O-CD 3.23Å | ||
| 241 | V | 52 | Low | 60 | Low | 39 Ų | 39 | 98 Ų | 98 | 24% | 0.236 | 57% | 0.566 | C | S | . | * | trans | -80 | 116.9 | 174.8 | -162.1 | 0 | 0 | 0 | 0 | 106.2 | L140 T147 I148 V239 C243 | L140-V241 HydrophobicContact CD2-CG2 4.45Å; T147-V241 HydrophobicContact CG2-CG1 4.24Å; I148-V241 HydrophobicContact CD1-CG2 3.47Å; I148-V241 VanDerWaalsContact CD1-CG2 3.47Å; I148-V241 HydrophobicContact CG1-CG2 3.37Å; V239-V241 WeakPolarHBondContact O-CG2 3.4Å; V239-V241 PolarHBondContact O-N 3.43Å; V241-C243 PolarHBondContact O-N 3.18Å | ||
| 242 | P | 47 | Very low | 57.7 | Low | 95 Ų | 95 | 103.4 Ų | 103.4 | 62% | 0.617 | 60% | 0.604 | S | S | * | * | trans | -61.9 | 112.5 | 173.2 | -16.8 | 30.4 | 0 | 0 | 0 | 107.7 | D240 H244 | D240-P242 VanDerWaalsContact O-CD 3.3Å; D240-P242 WeakPolarHBondContact O-CD 3.23Å; P242-H244 PolarHBondContact O-N 2.75Å | ||
| 243 | C | 46.5 | Very low | 55.5 | Low | 104 Ų | 104 | 113.6 Ų | 113.6 | 70% | 0.703 | 65% | 0.649 | S | S | * | * | trans | -63.5 | 105.3 | 170.1 | 54.5 | 0 | 0 | 0 | 0 | 107.4 | V241 A245 | V241-C243 PolarHBondContact O-N 3.18Å; C243-A245 PolarHBondContact O-N 2.93Å | ||
| 244 | H | 41.6 | Very low | 53.5 | Low | 179 Ų | 179 | 115 Ų | 115 | 83% | 0.829 | 66% | 0.659 | S | S | * | * | trans | -74.6 | 70 | 168.9 | -73.8 | -76.9 | 0 | 0 | 0 | 109.1 | P242 | P242-H244 PolarHBondContact O-N 2.75Š| ||
| 245 | A | 40.7 | Very low | 51.3 | Low | 78 Ų | 78 | 116 Ų | 116 | 65% | 0.645 | 67% | 0.674 | S | S | * | * | trans | -123.3 | 65.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | C243 | C243-A245 PolarHBondContact O-N 2.93Š| ||
| 246 | N | 32.9 | Very low | 49.1 | Very low | 147 Ų | 147 | 122.3 Ų | 122.3 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | trans | -158.7 | 71.4 | 153.6 | -99.9 | -24.6 | 0 | 0 | 0 | 108.1 | T248 | N246-T248 PolarHBondContact O-N 3.23Å; N246-T248 VanDerWaalsContact O-N 3.09Å | ||
| 247 | L | 34.8 | Very low | 46.8 | Very low | 165 Ų | 165 | 125.8 Ų | 125.8 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | trans | -75.8 | 73.2 | 155.2 | -92 | 143.3 | 0 | 0 | 0 | 107.1 | M249 | L247-M249 VanDerWaalsContact C-N 3.32Å; L247-M249 PolarHBondContact O-N 2.72Å; L247-M249 VanDerWaalsContact O-N 3.15Å | ||
| 248 | T | 42.5 | Very low | 45.6 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | trans | -72.2 | 98.7 | 155.7 | 11.5 | 0 | 0 | 0 | 0 | 106.4 | N246 Q250 | N246-T248 PolarHBondContact O-N 3.23Å; N246-T248 VanDerWaalsContact O-N 3.09Å; T248-Q250 VanDerWaalsContact C-N 3.27Å; T248-Q250 PolarHBondContact O-N 2.91Å | ||
| 249 | M | 40 | Very low | 44.7 | Very low | 170 Ų | 170 | 127.8 Ų | 127.8 | 84% | 0.837 | 74% | 0.736 | S | S | * | * | trans | -55.8 | 92 | 159.5 | -80.3 | -84.3 | -60.9 | 0 | 0 | 108.3 | L247 | L247-M249 VanDerWaalsContact C-N 3.32Å; L247-M249 PolarHBondContact O-N 2.72Å; L247-M249 VanDerWaalsContact O-N 3.15Å | ||
| 250 | Q | 44 | Very low | 44.1 | Very low | 181 Ų | 181 | 132.8 Ų | 132.8 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -90 | 98.5 | 158 | -77.7 | -174.3 | -26.3 | 0 | 0 | 106.6 | T248 | T248-Q250 VanDerWaalsContact C-N 3.27Å; T248-Q250 PolarHBondContact O-N 2.91Å | ||
| 251 | G | 47.8 | Very low | 43.7 | Very low | 70 Ų | 70 | 130.8 Ų | 130.8 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | -61.5 | 132.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 252 | S | 48.9 | Very low | 43 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -79 | 125.1 | 165 | -56.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 253 | I | 49.3 | Very low | 42.6 | Very low | 243 Ų | 243 | 142.5 Ų | 142.5 | 100% | 1.246 | 82% | 0.817 | S | S | * | * | -135.8 | 0 | 124.1 | -58.1 | -176.5 | 0 | 0 | 0 | 105.7 |
Retrieved 253 of 253 residues in 38.5 ms
(Link to these results)