| 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 | 42.5 | Very low | 38 | Very low | 244 Ų | 244 | 153.3 Ų | 153.3 | 100% | 1.202 | 88% | 0.877 | S | S | * | * | 0 | 96.6 | 0 | -151.1 | 178.6 | -160.8 | 0 | 0 | 106.8 | |||||
| 2 | V | 37.7 | Very low | 37.6 | Very low | 153 Ų | 153 | 156.3 Ų | 156.3 | 93% | 0.927 | 88% | 0.878 | S | S | * | * | trans | -132.3 | 128.9 | 176.3 | -178 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 3 | K | 39.9 | Very low | 37.2 | Very low | 184 Ų | 184 | 160.4 Ų | 160.4 | 80% | 0.8 | 88% | 0.88 | S | S | * | * | trans | -119.4 | 161.7 | -167.3 | -147.8 | 179.7 | -168.8 | -177.9 | 0 | 106.3 | ||||
| 4 | I | 38.3 | Very low | 36.8 | Very low | 163 Ų | 163 | 155.3 Ų | 155.3 | 84% | 0.836 | 87% | 0.87 | S | S | * | * | trans | 90.4 | 134.1 | 160.7 | -50.4 | 149.1 | 0 | 0 | 0 | 113 | ||||
| 5 | A | 35.5 | Very low | 36.2 | Very low | 89 Ų | 89 | 156.7 Ų | 156.7 | 74% | 0.736 | 87% | 0.874 | S | S | * | * | cis | -162.2 | 161.6 | -4.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 6 | F | 45 | Very low | 35.6 | Very low | 194 Ų | 194 | 151.1 Ų | 151.1 | 85% | 0.851 | 86% | 0.862 | S | S | * | * | trans | -64.7 | 149.9 | 160.8 | -89.1 | -102.2 | 0 | 0 | 0 | 111.8 | ||||
| 7 | N | 36.3 | Very low | 35.2 | Very low | 169 Ų | 169 | 153.2 Ų | 153.2 | 90% | 0.904 | 86% | 0.859 | S | S | * | * | trans | -153.7 | 121 | 144.4 | -97.4 | -22.9 | 0 | 0 | 0 | 111.4 | ||||
| 8 | S | 37.4 | Very low | 34.7 | Very low | 117 Ų | 117 | 153.4 Ų | 153.4 | 82% | 0.818 | 85% | 0.852 | S | S | * | * | trans | -66.9 | 141 | 164.9 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 9 | A | 37.7 | Very low | 34.6 | Very low | 107 Ų | 107 | 152.7 Ų | 152.7 | 88% | 0.884 | 85% | 0.852 | S | S | * | * | trans | -128.8 | 100.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 10 | L | 34.5 | Very low | 35 | Very low | 168 Ų | 168 | 150.9 Ų | 150.9 | 88% | 0.88 | 85% | 0.847 | S | S | * | * | trans | -104 | 114.5 | 163.2 | -134.2 | 173.3 | 0 | 0 | 0 | 105 | ||||
| 11 | A | 33.5 | Very low | 34.7 | Very low | 98 Ų | 98 | 148 Ų | 148 | 81% | 0.81 | 84% | 0.842 | S | S | * | * | trans | -143.3 | 126.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 12 | Q | 33.1 | Very low | 34.1 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -74.5 | 154.2 | -161.7 | -62.1 | 161.8 | -73.9 | 0 | 0 | 113.6 | ||||
| 13 | K | 31.7 | Very low | 33.9 | Very low | 210 Ų | 210 | 139.7 Ų | 139.7 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | trans | -137.3 | 117.1 | 143.1 | -152.1 | 172.4 | -177.4 | -179.7 | 0 | 110 | ||||
| 14 | A | 31.8 | Very low | 33.8 | Very low | 89 Ų | 89 | 140.3 Ų | 140.3 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | trans | -58.6 | 136.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 15 | L | 27.7 | Very low | 33.6 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | 101.4 | 123 | 82.7 | -174.2 | 79.9 | 0 | 0 | 0 | 112.4 | |||||
| 16 | G | 27.3 | Very low | 34.1 | Very low | 67 Ų | 67 | 140.9 Ų | 140.9 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | 158.6 | 86.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 17 | K | 27.9 | Very low | 33.6 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 81% | 0.809 | 82% | 0.817 | S | S | * | * | 52.2 | 123.8 | 100.1 | -110.7 | -159.5 | 170.9 | -149.4 | 0 | 112.1 | |||||
| 18 | E | 26.8 | Very low | 33.8 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | cis | -157.7 | 164.1 | 23.6 | -74.3 | -178.8 | 162.8 | 0 | 0 | 109.9 | ||||
| 19 | V | 33.2 | Very low | 33.7 | Very low | 140 Ų | 140 | 139.1 Ų | 139.1 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -112 | 144 | 166.1 | 176.4 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 20 | P | 42.6 | Very low | 34.2 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | -153.5 | 175.5 | 55.6 | 37.7 | -14.3 | 0 | 0 | 0 | 118.8 | |||||
| 21 | A | 28.6 | Very low | 34.4 | Very low | 90 Ų | 90 | 137.8 Ų | 137.8 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | 119.2 | 119.4 | 135.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 22 | A | 29.8 | Very low | 34.9 | Very low | 92 Ų | 92 | 138 Ų | 138 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | 58 | 118 | 137.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 23 | V | 32.7 | Very low | 35.8 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | 179.5 | 126.9 | 95.1 | 158.9 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 24 | K | 38.1 | Very low | 36.7 | Very low | 198 Ų | 198 | 128 Ų | 128 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -67 | 136.8 | 164.9 | -96.4 | 173.8 | 167.6 | 176 | 0 | 108 | ||||
| 25 | D | 34.3 | Very low | 37.9 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -160.2 | 152.9 | 139.4 | -90.2 | -29.7 | 0 | 0 | 0 | 111.1 | ||||
| 26 | P | 45.4 | Very low | 39.5 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | trans | -124.3 | 77.2 | -139.9 | 37 | -18.7 | 0 | 0 | 0 | 111.5 | ||||
| 27 | E | 36.3 | Very low | 41.3 | Very low | 183 Ų | 183 | 124.7 Ų | 124.7 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | trans | -150.8 | 86.8 | 174.1 | -80.9 | -159.6 | 122.8 | 0 | 0 | 110.1 | ||||
| 28 | L | 40.1 | Very low | 43.4 | Very low | 168 Ų | 168 | 123.1 Ų | 123.1 | 88% | 0.88 | 74% | 0.739 | S | S | * | * | trans | -178.8 | 51.6 | 156 | -99.5 | 144.1 | 0 | 0 | 0 | 109.4 | S30 | L28-S30 VanDerWaalsContact C-N 3.28Å; L28-S30 PolarHBondContact O-N 2.72Å | ||
| 29 | A | 35.4 | Very low | 45.8 | Very low | 92 Ų | 92 | 117.2 Ų | 117.2 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | trans | -88.6 | 78.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | D31 | A29-D31 PolarHBondContact O-N 2.92Å; A29-D31 VanDerWaalsContact O-N 3.1Å | ||
| 30 | S | 48.5 | Very low | 48.1 | Very low | 104 Ų | 104 | 117.5 Ų | 117.5 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | -70.5 | 86.8 | 152.3 | 66.3 | 0 | 0 | 0 | 0 | 107.1 | L28 | L28-S30 VanDerWaalsContact C-N 3.28Å; L28-S30 PolarHBondContact O-N 2.72Å | ||
| 31 | D | 37.2 | Very low | 50.1 | Low | 142 Ų | 142 | 116.4 Ų | 116.4 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | trans | -113 | 99.7 | 170.3 | -99.8 | -19.5 | 0 | 0 | 0 | 109.9 | A29 | A29-D31 PolarHBondContact O-N 2.92Å; A29-D31 VanDerWaalsContact O-N 3.1Å | ||
| 32 | S | 44.8 | Very low | 52.8 | Low | 104 Ų | 104 | 116.4 Ų | 116.4 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | trans | 38.8 | 114 | 145.5 | 62.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 33 | A | 52.2 | Low | 55.5 | Low | 71 Ų | 71 | 118 Ų | 118 | 59% | 0.587 | 68% | 0.675 | S | S | * | * | trans | -47.1 | 144.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T35 | A33-T35 VanDerWaalsContact C-N 3.29Å; A33-T35 HydrophobicContact CB-CG2 4Å; A33-T35 VanDerWaalsContact CB-OG1 3.31Å; A33-T35 WeakPolarHBondContact CB-OG1 3.24Å; A33-T35 PolarHBondContact O-N 3.15Å | ||
| 34 | P | 49.9 | Very low | 58.3 | Low | 117 Ų | 117 | 119.8 Ų | 119.8 | 76% | 0.76 | 67% | 0.668 | S | S | * | * | trans | -95.2 | 49.7 | 159.4 | 38.3 | -29.8 | 0 | 0 | 0 | 109.8 | D36 | P34-D36 VanDerWaalsContact C-N 3.33Š| ||
| 35 | T | 57.3 | Low | 60.8 | Low | 107 Ų | 107 | 115.3 Ų | 115.3 | 66% | 0.656 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -86.8 | -0.3 | -179.5 | 42.9 | 0 | 0 | 0 | 0 | 113.8 | A33 | A33-T35 VanDerWaalsContact C-N 3.29Å; A33-T35 HydrophobicContact CB-CG2 4Å; A33-T35 VanDerWaalsContact CB-OG1 3.31Å; A33-T35 WeakPolarHBondContact CB-OG1 3.24Å; A33-T35 PolarHBondContact O-N 3.15Å |
| 36 | D | 60.7 | Low | 63.6 | Low | 104 Ų | 104 | 113.3 Ų | 113.3 | 56% | 0.556 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -89.8 | -26 | -173.2 | -130.1 | 34.7 | 0 | 0 | 0 | 113.3 | P34 R40 | P34-D36 VanDerWaalsContact C-N 3.33Å; D36-R40 VanDerWaalsContact O-CD 3.22Å; D36-R40 WeakPolarHBondContact O-CD 3.49Å; D36-R40 WeakPolarHBondContact O-CG 3.31Å; D36-R40 PolarHBondContact O-NE 3.05Å; D36-R40 IonicContact OD2-CZ 3.86Å; D36-R40 IonicContact OD2-NE 3.77Å; D36-R40 IonicContact OD2-NH2 2.93Å; D36-R40 PolarHBondContact OD2-NH2 2.85Å |
| 37 | G | 64.8 | Low | 65.9 | Low | 52 Ų | 52 | 109.5 Ų | 109.5 | 54% | 0.536 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -82.5 | -41.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | L41 | G37-L41 WeakPolarHBondContact O-CB 3.3Å; G37-L41 PolarHBondContact O-N 3.35Å |
| 38 | F | 71.9 | Confident | 68.7 | Low | 154 Ų | 154 | 105.3 Ų | 105.3 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.8 | -41.8 | -179.1 | -91.4 | -87.9 | 0 | 0 | 0 | 112.5 | R40 L41 I42 | F38-R40 PolarHBondContact O-N 2.72Å; F38-L41 PolarHBondContact O-N 2.83Å; F38-I42 WeakPolarHBondContact O-CD1 3.41Å; F38-I42 WeakPolarHBondContact O-CG1 3.39Å; F38-I42 PolarHBondContact O-N 2.76Å |
| 39 | G | 78 | Confident | 71.2 | Confident | 33 Ų | 33 | 100.3 Ų | 100.3 | 34% | 0.34 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.2 | -41.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I42 L43 | G39-I42 PolarHBondContact O-N 3.47Å; G39-L43 VanDerWaalsContact O-CG 3.31Å; G39-L43 WeakPolarHBondContact O-CG 2.94Å; G39-L43 PolarHBondContact O-N 2.86Å |
| 40 | R | 81.6 | Confident | 74.1 | Confident | 146 Ų | 146 | 103.8 Ų | 103.8 | 55% | 0.551 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.6 | -44 | 175.3 | -68.9 | 175.8 | -165.3 | -157.9 | 7.1 | 111.6 | D36 F38 I42 L43 Y44 | D36-R40 VanDerWaalsContact O-CD 3.22Å; D36-R40 WeakPolarHBondContact O-CD 3.49Å; D36-R40 WeakPolarHBondContact O-CG 3.31Å; D36-R40 PolarHBondContact O-NE 3.05Å; D36-R40 IonicContact OD2-CZ 3.86Å; D36-R40 IonicContact OD2-NE 3.77Å; D36-R40 IonicContact OD2-NH2 2.93Å; D36-R40 PolarHBondContact OD2-NH2 2.85Å; F38-R40 PolarHBondContact O-N 2.72Å; R40-I42 PolarHBondContact O-N 3Å; R40-L43 PolarHBondContact O-N 3.26Å; R40-Y44 HydrophobicContact CB-CE2 4.28Å; R40-Y44 WeakPolarHBondContact O-CD2 3.33Å; R40-Y44 PolarHBondContact O-N 3.13Å |
| 41 | L | 84.4 | Confident | 76.3 | Confident | 94 Ų | 94 | 104 Ų | 104 | 49% | 0.492 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.4 | -43.7 | 175.9 | -177.2 | 64 | 0 | 0 | 0 | 111.9 | G37 F38 Y44 L45 | G37-L41 WeakPolarHBondContact O-CB 3.3Å; G37-L41 PolarHBondContact O-N 3.35Å; F38-L41 PolarHBondContact O-N 2.83Å; L41-Y44 PolarHBondContact O-N 2.84Å; L41-L45 HydrophobicContact CG-CD1 4.16Å; L41-L45 VanDerWaalsContact O-CG 3.29Å; L41-L45 WeakPolarHBondContact O-CG 3.37Å; L41-L45 PolarHBondContact O-N 2.95Å |
| 42 | I | 86 | Confident | 79.1 | Confident | 90 Ų | 90 | 101.8 Ų | 101.8 | 46% | 0.462 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63 | -43 | 177.2 | -68.5 | 164.3 | 0 | 0 | 0 | 110.9 | F38 G39 R40 Y44 L45 L46 | F38-I42 WeakPolarHBondContact O-CD1 3.41Å; F38-I42 WeakPolarHBondContact O-CG1 3.39Å; F38-I42 PolarHBondContact O-N 2.76Å; G39-I42 PolarHBondContact O-N 3.47Å; R40-I42 PolarHBondContact O-N 3Å; I42-Y44 VanDerWaalsContact C-N 3.35Å; I42-Y44 PolarHBondContact O-N 3.13Å; I42-L45 PolarHBondContact O-N 3.21Å; I42-L46 HydrophobicContact CG2-CD1 3.91Å; I42-L46 HydrophobicContact CG2-CG 4.32Å; I42-L46 WeakPolarHBondContact O-CB 3.43Å; I42-L46 VanDerWaalsContact O-CG 3.3Å; I42-L46 WeakPolarHBondContact O-CG 3.3Å; I42-L46 PolarHBondContact O-N 3.16Å |
| 43 | L | 86.6 | Confident | 81.6 | Confident | 124 Ų | 124 | 100.4 Ų | 100.4 | 65% | 0.649 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.4 | -40.6 | 176.4 | -73.3 | 166.6 | 0 | 0 | 0 | 112.2 | G39 R40 L46 G47 | G39-L43 VanDerWaalsContact O-CG 3.31Å; G39-L43 WeakPolarHBondContact O-CG 2.94Å; G39-L43 PolarHBondContact O-N 2.86Å; R40-L43 PolarHBondContact O-N 3.26Å; L43-L46 PolarHBondContact O-N 2.84Å; L43-G47 PolarHBondContact O-N 2.94Å |
| 44 | Y | 91.6 | Very high | 83.6 | Confident | 168 Ų | 168 | 99.1 Ų | 99.1 | 66% | 0.659 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 174.2 | -72.1 | -59.4 | 0 | 0 | 0 | 112.2 | R40 L41 I42 G47 I48 | R40-Y44 HydrophobicContact CB-CE2 4.28Å; R40-Y44 WeakPolarHBondContact O-CD2 3.33Å; R40-Y44 PolarHBondContact O-N 3.13Å; L41-Y44 PolarHBondContact O-N 2.84Å; I42-Y44 VanDerWaalsContact C-N 3.35Å; I42-Y44 PolarHBondContact O-N 3.13Å; Y44-G47 PolarHBondContact O-N 3.19Å; Y44-I48 WeakPolarHBondContact O-CB 3.25Å; Y44-I48 VanDerWaalsContact O-CG1 3.24Å; Y44-I48 WeakPolarHBondContact O-CG1 3.44Å; Y44-I48 PolarHBondContact O-N 3.44Å |
| 45 | L | 90.4 | Very high | 85.9 | Confident | 104 Ų | 104 | 99.1 Ų | 99.1 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 177.7 | -70.7 | 171.9 | 0 | 0 | 0 | 112.1 | L41 I42 S49 | L41-L45 HydrophobicContact CG-CD1 4.16Å; L41-L45 VanDerWaalsContact O-CG 3.29Å; L41-L45 WeakPolarHBondContact O-CG 3.37Å; L41-L45 PolarHBondContact O-N 2.95Å; I42-L45 PolarHBondContact O-N 3.21Å; L45-S49 VanDerWaalsContact O-CB 3.31Å; L45-S49 WeakPolarHBondContact O-CB 3.43Å; L45-S49 PolarHBondContact O-N 3.35Å |
| 46 | L | 92.6 | Very high | 87.7 | Confident | 108 Ų | 108 | 99.9 Ų | 99.9 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.7 | -41.6 | 175.6 | -70.7 | 173.7 | 0 | 0 | 0 | 111.9 | I42 L43 S49 F50 | I42-L46 HydrophobicContact CG2-CD1 3.91Å; I42-L46 HydrophobicContact CG2-CG 4.32Å; I42-L46 WeakPolarHBondContact O-CB 3.43Å; I42-L46 VanDerWaalsContact O-CG 3.3Å; I42-L46 WeakPolarHBondContact O-CG 3.3Å; I42-L46 PolarHBondContact O-N 3.16Å; L43-L46 PolarHBondContact O-N 2.84Å; L46-S49 PolarHBondContact O-N 3.21Å; L46-F50 PolarHBondContact O-N 2.97Å |
| 47 | G | 93.1 | Very high | 89.4 | Confident | 34 Ų | 34 | 98.9 Ų | 98.9 | 35% | 0.351 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L43 Y44 F50 I51 | L43-G47 PolarHBondContact O-N 2.94Å; Y44-G47 PolarHBondContact O-N 3.19Å; G47-F50 PolarHBondContact O-N 3.38Å; G47-I51 VanDerWaalsContact O-CG1 3.29Å; G47-I51 WeakPolarHBondContact O-CG1 3.49Å; G47-I51 PolarHBondContact O-N 2.79Å |
| 48 | I | 94.9 | Very high | 90.8 | Very high | 96 Ų | 96 | 97.9 Ų | 97.9 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 176.2 | -68.8 | 166.1 | 0 | 0 | 0 | 110.7 | Y44 F50 I51 L52 | Y44-I48 WeakPolarHBondContact O-CB 3.25Å; Y44-I48 VanDerWaalsContact O-CG1 3.24Å; Y44-I48 WeakPolarHBondContact O-CG1 3.44Å; Y44-I48 PolarHBondContact O-N 3.44Å; I48-F50 VanDerWaalsContact C-N 3.35Å; I48-F50 PolarHBondContact O-N 3.3Å; I48-I51 PolarHBondContact O-N 3.2Å; I48-L52 HydrophobicContact CG2-CD1 3.72Å; I48-L52 HydrophobicContact CG2-CG 4.23Å; I48-L52 WeakPolarHBondContact O-CB 3.39Å; I48-L52 VanDerWaalsContact O-CG 3.3Å; I48-L52 WeakPolarHBondContact O-CG 3.46Å; I48-L52 PolarHBondContact O-N 2.88Å |
| 49 | S | 94.3 | Very high | 91.8 | Very high | 63 Ų | 63 | 92.2 Ų | 92.2 | 44% | 0.441 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57 | -47.3 | 175.3 | 167.2 | 0 | 0 | 0 | 0 | 111.6 | L45 L46 I51 L52 T53 | L45-S49 VanDerWaalsContact O-CB 3.31Å; L45-S49 WeakPolarHBondContact O-CB 3.43Å; L45-S49 PolarHBondContact O-N 3.35Å; L46-S49 PolarHBondContact O-N 3.21Å; S49-I51 PolarHBondContact O-N 3.13Å; S49-L52 PolarHBondContact O-N 3Å; S49-T53 PolarHBondContact O-N 2.87Å; S49-T53 PolarHBondContact O-OG1 3.39Å |
| 50 | F | 95.8 | Very high | 92.5 | Very high | 165 Ų | 165 | 93.3 Ų | 93.3 | 72% | 0.724 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.9 | -40.5 | -179.2 | -167 | -99.1 | 0 | 0 | 0 | 112.2 | L46 G47 I48 T53 G54 | L46-F50 PolarHBondContact O-N 2.97Å; G47-F50 PolarHBondContact O-N 3.38Å; I48-F50 VanDerWaalsContact C-N 3.35Å; I48-F50 PolarHBondContact O-N 3.3Å; F50-T53 PolarHBondContact O-N 2.72Å; F50-G54 PolarHBondContact O-N 3.35Å |
| 51 | I | 95.4 | Very high | 92.9 | Very high | 109 Ų | 109 | 90.2 Ų | 90.2 | 56% | 0.559 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -44.8 | 175.5 | -65.8 | 165.6 | 0 | 0 | 0 | 110.7 | G47 I48 S49 G54 L55 | G47-I51 VanDerWaalsContact O-CG1 3.29Å; G47-I51 WeakPolarHBondContact O-CG1 3.49Å; G47-I51 PolarHBondContact O-N 2.79Å; I48-I51 PolarHBondContact O-N 3.2Å; S49-I51 PolarHBondContact O-N 3.13Å; I51-G54 PolarHBondContact O-N 2.81Å; I51-L55 HydrophobicContact CG2-CD1 4.05Å; I51-L55 HydrophobicContact CG2-CG 4.45Å; I51-L55 WeakPolarHBondContact O-CB 3.37Å; I51-L55 WeakPolarHBondContact O-CG 3.48Å; I51-L55 PolarHBondContact O-N 2.92Å |
| 52 | L | 95.4 | Very high | 93.2 | Very high | 94 Ų | 94 | 90.5 Ų | 90.5 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 177.7 | -75.1 | 169.1 | 0 | 0 | 0 | 111.5 | I48 S49 G54 L55 I56 | I48-L52 HydrophobicContact CG2-CD1 3.72Å; I48-L52 HydrophobicContact CG2-CG 4.23Å; I48-L52 WeakPolarHBondContact O-CB 3.39Å; I48-L52 VanDerWaalsContact O-CG 3.3Å; I48-L52 WeakPolarHBondContact O-CG 3.46Å; I48-L52 PolarHBondContact O-N 2.88Å; S49-L52 PolarHBondContact O-N 3Å; L52-G54 VanDerWaalsContact C-N 3.34Å; L52-G54 PolarHBondContact O-N 2.86Å; L52-L55 PolarHBondContact O-N 2.99Å; L52-I56 VanDerWaalsContact O-CG1 3.25Å; L52-I56 WeakPolarHBondContact O-CG1 3.32Å; L52-I56 PolarHBondContact O-N 3.24Å |
| 53 | T | 96.1 | Very high | 93.2 | Very high | 76 Ų | 76 | 94.3 Ų | 94.3 | 47% | 0.466 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 175.5 | -51.6 | 0 | 0 | 0 | 0 | 111.1 | S49 F50 L55 I56 V57 | S49-T53 PolarHBondContact O-N 2.87Å; S49-T53 PolarHBondContact O-OG1 3.39Å; F50-T53 PolarHBondContact O-N 2.72Å; T53-L55 VanDerWaalsContact C-N 3.34Å; T53-L55 PolarHBondContact O-N 3.5Å; T53-I56 PolarHBondContact O-N 2.94Å; T53-V57 HydrophobicContact CG2-CG2 4.29Å; T53-V57 WeakPolarHBondContact O-CB 3.3Å; T53-V57 WeakPolarHBondContact O-CG2 3.41Å; T53-V57 PolarHBondContact O-N 3.26Å |
| 54 | G | 95.8 | Very high | 93.1 | Very high | 43 Ų | 43 | 98.3 Ų | 98.3 | 44% | 0.443 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | F50 I51 L52 G58 | F50-G54 PolarHBondContact O-N 3.35Å; I51-G54 PolarHBondContact O-N 2.81Å; L52-G54 VanDerWaalsContact C-N 3.34Å; L52-G54 PolarHBondContact O-N 2.86Å; G54-G58 WeakPolarHBondContact O-CA 3.28Å; G54-G58 PolarHBondContact O-N 2.04Å |
| 55 | L | 96.5 | Very high | 92.6 | Very high | 117 Ų | 117 | 99.1 Ų | 99.1 | 61% | 0.613 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.6 | -41.5 | 175.9 | -76.8 | 170.9 | 0 | 0 | 0 | 112.4 | I51 L52 T53 G59 | I51-L55 HydrophobicContact CG2-CD1 4.05Å; I51-L55 HydrophobicContact CG2-CG 4.45Å; I51-L55 WeakPolarHBondContact O-CB 3.37Å; I51-L55 WeakPolarHBondContact O-CG 3.48Å; I51-L55 PolarHBondContact O-N 2.92Å; L52-L55 PolarHBondContact O-N 2.99Å; T53-L55 VanDerWaalsContact C-N 3.34Å; T53-L55 PolarHBondContact O-N 3.5Å; L55-G59 WeakPolarHBondContact O-CA 3.4Å; L55-G59 PolarHBondContact O-N 3.38Å |
| 56 | I | 95.8 | Very high | 92 | Very high | 123 Ų | 123 | 100.9 Ų | 100.9 | 63% | 0.631 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.5 | -48.6 | 178.8 | -66.6 | 164.5 | 0 | 0 | 0 | 110.4 | L52 T53 G59 A60 | L52-I56 VanDerWaalsContact O-CG1 3.25Å; L52-I56 WeakPolarHBondContact O-CG1 3.32Å; L52-I56 PolarHBondContact O-N 3.24Å; T53-I56 PolarHBondContact O-N 2.94Å; I56-G59 PolarHBondContact O-N 2.84Å; I56-A60 VanDerWaalsContact O-CB 3.31Å; I56-A60 WeakPolarHBondContact O-CB 3.11Å; I56-A60 PolarHBondContact O-N 3.24Å |
| 57 | V | 95.7 | Very high | 90.9 | Very high | 84 Ų | 84 | 98.5 Ų | 98.5 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.4 | -46.2 | -179.5 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | T53 G59 A60 C61 | T53-V57 HydrophobicContact CG2-CG2 4.29Å; T53-V57 WeakPolarHBondContact O-CB 3.3Å; T53-V57 WeakPolarHBondContact O-CG2 3.41Å; T53-V57 PolarHBondContact O-N 3.26Å; V57-G59 VanDerWaalsContact C-N 3.33Å; V57-G59 PolarHBondContact O-N 2.87Å; V57-A60 PolarHBondContact O-N 3.49Å; V57-C61 WeakPolarHBondContact O-CB 3.04Å; V57-C61 PolarHBondContact O-N 2.81Å; V57-C61 PolarHBondContact O-SG 2.74Å; V57-C61 VanDerWaalsContact O-SG 3.41Å |
| 58 | G | 95 | Very high | 89.5 | Confident | 30 Ų | 30 | 102.1 Ų | 102.1 | 31% | 0.309 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G54 C61 L62 | G54-G58 WeakPolarHBondContact O-CA 3.28Å; G54-G58 PolarHBondContact O-N 2.04Å; G58-C61 PolarHBondContact O-N 3.45Å; G58-L62 WeakPolarHBondContact O-CB 3.41Å; G58-L62 VanDerWaalsContact O-CG 3.24Å; G58-L62 WeakPolarHBondContact O-CG 3.13Å; G58-L62 PolarHBondContact O-N 2.91Å |
| 59 | G | 94 | Very high | 88.4 | Confident | 35 Ų | 35 | 104.3 Ų | 104.3 | 36% | 0.361 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.4 | -44.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L55 I56 V57 L62 Y63 | L55-G59 WeakPolarHBondContact O-CA 3.4Å; L55-G59 PolarHBondContact O-N 3.38Å; I56-G59 PolarHBondContact O-N 2.84Å; V57-G59 VanDerWaalsContact C-N 3.33Å; V57-G59 PolarHBondContact O-N 2.87Å; G59-L62 PolarHBondContact O-N 2.98Å; G59-Y63 WeakPolarHBondContact O-CB 3.49Å; G59-Y63 PolarHBondContact O-N 3.35Å |
| 60 | A | 91.8 | Very high | 87.8 | Confident | 56 Ų | 56 | 109.1 Ų | 109.1 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.7 | -40.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I56 V57 Y63 R64 | I56-A60 VanDerWaalsContact O-CB 3.31Å; I56-A60 WeakPolarHBondContact O-CB 3.11Å; I56-A60 PolarHBondContact O-N 3.24Å; V57-A60 PolarHBondContact O-N 3.49Å; A60-Y63 PolarHBondContact O-N 3.29Å; A60-R64 WeakPolarHBondContact O-CB 3.38Å; A60-R64 PolarHBondContact O-N 3.38Å |
| 61 | C | 90.4 | Very high | 87.4 | Confident | 81 Ų | 81 | 105.3 Ų | 105.3 | 55% | 0.547 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 175.2 | -76.3 | 0 | 0 | 0 | 0 | 111.5 | V57 G58 R64 Y65 | V57-C61 WeakPolarHBondContact O-CB 3.04Å; V57-C61 PolarHBondContact O-N 2.81Å; V57-C61 PolarHBondContact O-SG 2.74Å; V57-C61 VanDerWaalsContact O-SG 3.41Å; G58-C61 PolarHBondContact O-N 3.45Å; C61-R64 PolarHBondContact O-N 2.94Å; C61-Y65 VanDerWaalsContact O-CB 3.31Å; C61-Y65 WeakPolarHBondContact O-CB 3.45Å; C61-Y65 PolarHBondContact O-N 2.86Å |
| 62 | L | 90.8 | Very high | 87.2 | Confident | 101 Ų | 101 | 101.3 Ų | 101.3 | 53% | 0.529 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 176 | -70.6 | 171.1 | 0 | 0 | 0 | 111 | G58 G59 R64 Y65 F66 | G58-L62 WeakPolarHBondContact O-CB 3.41Å; G58-L62 VanDerWaalsContact O-CG 3.24Å; G58-L62 WeakPolarHBondContact O-CG 3.13Å; G58-L62 PolarHBondContact O-N 2.91Å; G59-L62 PolarHBondContact O-N 2.98Å; L62-R64 PolarHBondContact O-N 3.39Å; L62-Y65 PolarHBondContact O-N 3.46Å; L62-F66 HydrophobicContact CB-CD2 4.41Å; L62-F66 HydrophobicContact CD2-CD2 4.47Å; L62-F66 HydrophobicContact CD2-CE2 4.02Å; L62-F66 WeakPolarHBondContact O-CB 3.08Å; L62-F66 VanDerWaalsContact O-CD2 3.28Å; L62-F66 WeakPolarHBondContact O-CD2 3.45Å; L62-F66 PolarHBondContact O-N 2.91Å |
| 63 | Y | 86.1 | Confident | 87 | Confident | 170 Ų | 170 | 101.3 Ų | 101.3 | 67% | 0.667 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -56.8 | -50.1 | 175.8 | -179.5 | -101 | 0 | 0 | 0 | 110.5 | G59 A60 Y65 F66 T67 | G59-Y63 WeakPolarHBondContact O-CB 3.49Å; G59-Y63 PolarHBondContact O-N 3.35Å; A60-Y63 PolarHBondContact O-N 3.29Å; Y63-Y65 VanDerWaalsContact C-N 3.31Å; Y63-Y65 PolarHBondContact O-N 3.47Å; Y63-F66 PolarHBondContact O-N 2.92Å; Y63-T67 HydrophobicContact CD1-CG2 3.86Å; Y63-T67 HydrophobicContact CD2-CG2 4.13Å; Y63-T67 HydrophobicContact CE1-CG2 3.5Å; Y63-T67 VanDerWaalsContact CE1-CG2 3.5Å; Y63-T67 HydrophobicContact CE2-CG2 3.79Å; Y63-T67 HydrophobicContact CG-CG2 4.16Å; Y63-T67 VanDerWaalsContact CZ-CG2 3.45Å; Y63-T67 WeakPolarHBondContact O-CB 3.4Å; Y63-T67 VanDerWaalsContact O-CG2 3.23Å; Y63-T67 WeakPolarHBondContact O-CG2 3.18Å; Y63-T67 PolarHBondContact O-N 3.14Å; Y63-T67 PolarHBondContact O-OG1 2.04Å; Y63-T67 VanDerWaalsContact O-OG1 3.05Å |
| 64 | R | 82.9 | Confident | 86.6 | Confident | 207 Ų | 207 | 98 Ų | 98 | 78% | 0.781 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.5 | -34.4 | 178.2 | -169.3 | -176.8 | 176 | 94 | 2.1 | 113.1 | A60 C61 L62 T67 | A60-R64 WeakPolarHBondContact O-CB 3.38Å; A60-R64 PolarHBondContact O-N 3.38Å; C61-R64 PolarHBondContact O-N 2.94Å; L62-R64 PolarHBondContact O-N 3.39Å; R64-T67 WeakPolarHBondContact CA-OG1 3.19Å; R64-T67 PolarHBondContact O-OG1 2.77Å |
| 65 | Y | 81.3 | Confident | 86.3 | Confident | 185 Ų | 185 | 96.8 Ų | 96.8 | 73% | 0.725 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -70.9 | -39.2 | 178 | -176.4 | -97.3 | 0 | 0 | 0 | 111.9 | C61 L62 Y63 | C61-Y65 VanDerWaalsContact O-CB 3.31Å; C61-Y65 WeakPolarHBondContact O-CB 3.45Å; C61-Y65 PolarHBondContact O-N 2.86Å; L62-Y65 PolarHBondContact O-N 3.46Å; Y63-Y65 VanDerWaalsContact C-N 3.31Å; Y63-Y65 PolarHBondContact O-N 3.47Å |
| 66 | F | 78.6 | Confident | 85.9 | Confident | 142 Ų | 142 | 91.2 Ų | 91.2 | 62% | 0.623 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -93.7 | -13.5 | -177.5 | -75.4 | -67.3 | 0 | 0 | 0 | 114.6 | L62 Y63 P68 | L62-F66 HydrophobicContact CB-CD2 4.41Å; L62-F66 HydrophobicContact CD2-CD2 4.47Å; L62-F66 HydrophobicContact CD2-CE2 4.02Å; L62-F66 WeakPolarHBondContact O-CB 3.08Å; L62-F66 VanDerWaalsContact O-CD2 3.28Å; L62-F66 WeakPolarHBondContact O-CD2 3.45Å; L62-F66 PolarHBondContact O-N 2.91Å; Y63-F66 PolarHBondContact O-N 2.92Å; F66-P68 WeakPolarHBondContact O-CD 3.28Å |
| 67 | T | 69.4 | Low | 85.5 | Confident | 57 Ų | 57 | 88.1 Ų | 88.1 | 35% | 0.35 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -61.4 | 108.4 | 173.1 | 38.2 | 0 | 0 | 0 | 0 | 108.4 | Y63 R64 K69 | Y63-T67 HydrophobicContact CD1-CG2 3.86Å; Y63-T67 HydrophobicContact CD2-CG2 4.13Å; Y63-T67 HydrophobicContact CE1-CG2 3.5Å; Y63-T67 VanDerWaalsContact CE1-CG2 3.5Å; Y63-T67 HydrophobicContact CE2-CG2 3.79Å; Y63-T67 HydrophobicContact CG-CG2 4.16Å; Y63-T67 VanDerWaalsContact CZ-CG2 3.45Å; Y63-T67 WeakPolarHBondContact O-CB 3.4Å; Y63-T67 VanDerWaalsContact O-CG2 3.23Å; Y63-T67 WeakPolarHBondContact O-CG2 3.18Å; Y63-T67 PolarHBondContact O-N 3.14Å; Y63-T67 PolarHBondContact O-OG1 2.04Å; Y63-T67 VanDerWaalsContact O-OG1 3.05Å; R64-T67 WeakPolarHBondContact CA-OG1 3.19Å; R64-T67 PolarHBondContact O-OG1 2.77Å; T67-K69 PolarHBondContact O-N 2.82Å |
| 68 | P | 64.7 | Low | 85.1 | Confident | 111 Ų | 111 | 84.4 Ų | 84.4 | 72% | 0.721 | 42% | 0.419 | S | S | * | . | trans | -64.1 | 141.3 | -179.8 | 27.7 | -32.4 | 0 | 0 | 0 | 108.3 | F66 R70 | F66-P68 WeakPolarHBondContact O-CD 3.28Å; P68-R70 PolarHBondContact O-N 3.01Å | ||
| 69 | K | 71.5 | Confident | 84.7 | Confident | 141 Ų | 141 | 85.7 Ų | 85.7 | 61% | 0.613 | 42% | 0.421 | S | S | * | . | trans | -52.6 | 130.4 | 163.7 | -72.8 | 160.4 | 160 | -104.1 | 0 | 107.3 | T67 L71 E100 | T67-K69 PolarHBondContact O-N 2.82Å; K69-L71 VanDerWaalsContact C-N 3.3Å; K69-L71 PolarHBondContact O-N 2.92Å; K69-E100 HydrophobicContact CB-CG 4.18Å; K69-E100 WeakPolarHBondContact CE-OE1 3.26Å; K69-E100 WeakPolarHBondContact CG-OE1 3.32Å; K69-E100 IonicContact NZ-OE1 2.89Å; K69-E100 PolarHBondContact NZ-OE1 2.85Å; K69-E100 IonicContact NZ-OE2 3.04Å; K69-E100 PolarHBondContact NZ-OE2 2.9Å | ||
| 70 | R | 80.2 | Confident | 84 | Confident | 165 Ų | 165 | 85.4 Ų | 85.4 | 62% | 0.623 | 41% | 0.411 | S | S | * | . | trans | -71.8 | 92.5 | 178.8 | -63.9 | -173.1 | -179.6 | -176 | 1 | 108 | P68 Y72 I101 | P68-R70 PolarHBondContact O-N 3.01Å; R70-Y72 HydrophobicContact CB-CD2 4.38Å; R70-Y72 HydrophobicContact CB-CE2 3.55Å; R70-Y72 WeakPolarHBondContact O-CD2 3.42Å; R70-I101 PolarHBondContact O-N 3.06Å | ||
| 71 | L | 88.7 | Confident | 83 | Confident | 84 Ų | 84 | 88.6 Ų | 88.6 | 44% | 0.44 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 122.9 | 174.4 | -170 | 68.8 | 0 | 0 | 0 | 108.2 | K69 H73 E98 | K69-L71 VanDerWaalsContact C-N 3.3Å; K69-L71 PolarHBondContact O-N 2.92Å; L71-H73 WeakPolarHBondContact CD2-NE2 2.96Å; L71-E98 HydrophobicContact CD1-CB 4.1Å |
| 72 | Y | 90.4 | Very high | 81.6 | Confident | 26 Ų | 26 | 88.8 Ų | 88.8 | 10% | 0.102 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.9 | 178.1 | -64.9 | -89.7 | 0 | 0 | 0 | 109 | R70 E98 V99 I101 I159 F162 | R70-Y72 HydrophobicContact CB-CD2 4.38Å; R70-Y72 HydrophobicContact CB-CE2 3.55Å; R70-Y72 WeakPolarHBondContact O-CD2 3.42Å; Y72-E98 CarbonylContact O-C 3.6Å; Y72-E98 WeakPolarHBondContact O-CA 3.4Å; Y72-V99 PolarHBondContact N-O 2.84Å; Y72-V99 PolarHBondContact O-N 3.49Å; Y72-I101 HydrophobicContact CD2-CB 4.21Å; Y72-I101 HydrophobicContact CD2-CD1 3.71Å; Y72-I101 HydrophobicContact CD2-CG1 3.93Å; Y72-I101 HydrophobicContact CE2-CB 4.05Å; Y72-I101 HydrophobicContact CE2-CD1 4.05Å; Y72-I101 HydrophobicContact CE2-CG1 4.25Å; Y72-I101 HydrophobicContact CG-CD1 4.28Å; Y72-I159 HydrophobicContact CE1-CG2 4.16Å; Y72-I159 HydrophobicContact CE2-CG1 4.18Å; Y72-F162 HydrophobicContact CD1-CB 4.02Å; Y72-F162 HydrophobicContact CG-CB 4.1Å |
| 73 | H | 90.5 | Very high | 80.1 | Confident | 93 Ų | 93 | 87.5 Ų | 87.5 | 43% | 0.431 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.7 | 174.3 | -59 | -89.8 | 0 | 0 | 0 | 108.3 | L71 E97 E98 | L71-H73 WeakPolarHBondContact CD2-NE2 2.96Å; H73-E97 WeakPolarHBondContact CA-O 3.45Å; H73-E98 IonicContact CE1-OE1 3.05Å; H73-E98 PolarHBondContact CE1-OE1 2.79Å; H73-E98 IonicContact CE1-OE2 3.14Å; H73-E98 VanDerWaalsContact ND1-CG 3.33Å; H73-E98 WeakPolarHBondContact ND1-CG 3.42Å; H73-E98 IonicContact ND1-OE1 3.38Å; H73-E98 PolarHBondContact ND1-OE1 2.86Å; H73-E98 VanDerWaalsContact ND1-OE1 3.14Å |
| 74 | G | 88.8 | Confident | 78.4 | Confident | 7 Ų | 7 | 83 Ų | 83 | 7% | 0.072 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 152.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | E96 E97 | G74-E96 WeakPolarHBondContact O-CA 3.1Å; G74-E97 PolarHBondContact N-O 3.34Å; G74-E97 PolarHBondContact O-N 2.78Å |
| 75 | A | 89.3 | Confident | 76.8 | Confident | 18 Ų | 18 | 76.6 Ų | 76.6 | 15% | 0.149 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 132.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R94 V95 E96 | A75-R94 HydrophobicContact CB-CG 4.46Å; A75-R94 VanDerWaalsContact CB-NH2 3.3Å; A75-V95 CarbonylContact C-O 3.56Å; A75-V95 VanDerWaalsContact CA-O 3.23Å; A75-V95 WeakPolarHBondContact CA-O 3.37Å; A75-E96 HydrophobicContact CB-CG 3.89Å |
| 76 | M | 88.1 | Confident | 75.2 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.3 | 177.3 | -73.7 | -163.7 | 174.2 | 0 | 0 | 111.2 | R94 V95 L161 L165 Y170 F232 N234 V237 | M76-R94 CarbonylContact O-C 3.55Å; M76-R94 VanDerWaalsContact O-CA 3.29Å; M76-R94 WeakPolarHBondContact O-CA 3.41Å; M76-V95 PolarHBondContact N-O 3.49Å; M76-V95 PolarHBondContact O-N 3.04Å; M76-L161 HydrophobicContact CE-CD1 3.78Å; M76-L161 HydrophobicContact CE-CD2 4.05Å; M76-L161 HydrophobicContact CE-CG 4.25Å; M76-L165 HydrophobicContact CE-CD1 3.9Å; M76-L165 HydrophobicContact CE-CD2 3.77Å; M76-L165 HydrophobicContact CE-CG 4.3Å; M76-L165 HydrophobicContact CG-CD1 4.28Å; M76-L165 HydrophobicContact CG-CD2 3.75Å; M76-Y170 HydrophobicContact CE-CD1 3.9Å; M76-Y170 HydrophobicContact CE-CE1 4.41Å; M76-Y170 HydrophobicContact CE-CG 4.33Å; M76-Y170 HydrophobicContact SD-CD1 4.14Å; M76-F232 HydrophobicContact CB-CD1 4.21Å; M76-F232 HydrophobicContact CB-CE1 4.38Å; M76-F232 HydrophobicContact CE-CD2 4.05Å; M76-F232 HydrophobicContact CE-CG 4.5Å; M76-F232 HydrophobicContact CG-CD1 4.21Å; M76-F232 HydrophobicContact CG-CD2 4.2Å; M76-F232 HydrophobicContact CG-CE1 4.35Å; M76-F232 HydrophobicContact CG-CE2 4.36Å; M76-F232 HydrophobicContact CG-CG 4.15Å; M76-F232 HydrophobicContact CG-CZ 4.45Å; M76-F232 HydrophobicContact SD-CB 3.91Å; M76-F232 HydrophobicContact SD-CD1 4.4Å; M76-F232 HydrophobicContact SD-CD2 3.98Å; M76-F232 HydrophobicContact SD-CG 3.85Å; M76-N234 WeakPolarHBondContact CE-O 3.42Å; M76-V237 HydrophobicContact CB-CG2 4.08Å |
| 77 | Q | 88.3 | Confident | 73.9 | Confident | 58 Ų | 58 | 73.4 Ų | 73.4 | 27% | 0.271 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 145.3 | 165.7 | -65.4 | 176.6 | 17.9 | 0 | 0 | 109.3 | L92 P93 R94 Y170 R171 S172 | Q77-L92 HydrophobicContact CB-CB 4.14Å; Q77-L92 HydrophobicContact CB-CD1 4.28Å; Q77-P93 CarbonylContact C-O 3.53Å; Q77-P93 VanDerWaalsContact CA-O 3.24Å; Q77-P93 WeakPolarHBondContact CA-O 3.39Å; Q77-R94 HydrophobicContact CG-CB 4.4Å; Q77-R94 HydrophobicContact CG-CG 4.43Å; Q77-Y170 PolarHBondContact N-O 3.37Å; Q77-R171 HydrophobicContact CB-CG 4.42Å; Q77-R171 CarbonylContact O-C 3.6Å; Q77-R171 WeakPolarHBondContact O-CA 3.01Å; Q77-S172 PolarHBondContact O-N 2.87Å; Q77-S172 PolarHBondContact O-OG 3.44Å |
| 78 | F | 87 | Confident | 72.7 | Confident | 5 Ų | 5 | 77.8 Ų | 77.8 | 2% | 0.022 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 154.5 | -178.9 | 69.9 | -86.1 | 0 | 0 | 0 | 113.8 | P93 V95 S172 L174 V237 | F78-P93 HydrophobicContact CD1-CB 3.99Å; F78-P93 HydrophobicContact CE1-CB 3.45Å; F78-P93 VanDerWaalsContact CE1-CB 3.45Å; F78-P93 HydrophobicContact CE2-CB 4.03Å; F78-P93 HydrophobicContact CE2-CG 4.42Å; F78-P93 HydrophobicContact CZ-CB 3.49Å; F78-P93 VanDerWaalsContact CZ-CB 3.49Å; F78-P93 HydrophobicContact CZ-CG 4.29Å; F78-P93 PolarHBondContact N-O 2.72Å; F78-P93 WeakPolarHBondContact O-CD 3.35Å; F78-V95 HydrophobicContact CD1-CG2 3.96Å; F78-V95 HydrophobicContact CE1-CG2 3.54Å; F78-S172 CarbonylContact C-O 3.56Å; F78-S172 WeakPolarHBondContact CA-O 3.41Å; F78-L174 HydrophobicContact CD2-CB 3.86Å; F78-L174 HydrophobicContact CD2-CD1 4.13Å; F78-L174 HydrophobicContact CD2-CG 4.46Å; F78-L174 HydrophobicContact CE2-CB 4.16Å; F78-L174 HydrophobicContact CE2-CD1 3.89Å; F78-L174 HydrophobicContact CE2-CD2 4.2Å; F78-L174 HydrophobicContact CE2-CG 4.31Å; F78-L174 HydrophobicContact CZ-CD1 4.47Å; F78-V237 HydrophobicContact CB-CB 4.13Å; F78-V237 HydrophobicContact CB-CG2 3.85Å; F78-V237 HydrophobicContact CD1-CB 4.05Å; F78-V237 HydrophobicContact CD1-CG1 4.06Å; F78-V237 HydrophobicContact CD1-CG2 3.7Å; F78-V237 HydrophobicContact CE1-CG1 4.17Å; F78-V237 HydrophobicContact CG-CB 4.03Å; F78-V237 HydrophobicContact CG-CG1 4.36Å; F78-V237 HydrophobicContact CG-CG2 3.96Å |
| 79 | T | 85.1 | Confident | 72.2 | Confident | 58 Ų | 58 | 77.9 Ų | 77.9 | 36% | 0.356 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 132.6 | 170.5 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | L92 S172 L174 | T79-L92 HydrophobicContact CG2-CD2 3.67Å; T79-S172 PolarHBondContact N-O 2.85Å; T79-S172 PolarHBondContact OG1-O 3.19Å; T79-L174 PolarHBondContact O-N 3.48Å; T79-L174 VanDerWaalsContact O-N 3.12Å |
| 80 | D | 80.8 | Confident | 71.4 | Confident | 28 Ų | 28 | 80.3 Ų | 80.3 | 15% | 0.15 | 44% | 0.44 | C | S | . | . | trans | -98.6 | 97.9 | 170.9 | -173.8 | -10 | 0 | 0 | 0 | 109.1 | S82 T83 L174 R176 | D80-S82 PolarHBondContact O-N 2.86Å; D80-S82 WeakPolarHBondContact OD1-CB 3.22Å; D80-S82 PolarHBondContact OD1-N 3.12Å; D80-T83 WeakPolarHBondContact CB-OG1 3.45Å; D80-T83 VanDerWaalsContact CG-OG1 3.27Å; D80-T83 PolarHBondContact O-OG1 3.05Å; D80-T83 VanDerWaalsContact O-OG1 3.06Å; D80-L174 HydrophobicContact CB-CD2 4.15Å; D80-R176 IonicContact OD1-CZ 3.76Å; D80-R176 IonicContact OD1-NH2 3.36Å; D80-R176 PolarHBondContact OD1-NH2 3.28Å; D80-R176 IonicContact OD2-NH2 2.99Å; D80-R176 PolarHBondContact OD2-NH2 2.87Å | ||
| 81 | V | 70 | Confident | 70.7 | Confident | 124 Ų | 124 | 82 Ų | 82 | 75% | 0.752 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -67.9 | -20.5 | -178.9 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 82 | S | 61.5 | Low | 70 | Confident | 84 Ų | 84 | 79.7 Ų | 79.7 | 59% | 0.587 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -82 | -24.9 | -173.8 | -49.2 | 0 | 0 | 0 | 0 | 113.4 | D80 G84 R176 | D80-S82 PolarHBondContact O-N 2.86Å; D80-S82 WeakPolarHBondContact OD1-CB 3.22Å; D80-S82 PolarHBondContact OD1-N 3.12Å; S82-G84 VanDerWaalsContact C-N 3.25Å; S82-G84 PolarHBondContact O-N 2.84Å; S82-R176 PolarHBondContact OG-NH1 3.14Å |
| 83 | T | 58.9 | Low | 69.6 | Low | 75 Ų | 75 | 80 Ų | 80 | 46% | 0.46 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -74.7 | -9.1 | -173.2 | 26.4 | 0 | 0 | 0 | 0 | 114.5 | D80 S85 | D80-T83 WeakPolarHBondContact CB-OG1 3.45Å; D80-T83 VanDerWaalsContact CG-OG1 3.27Å; D80-T83 PolarHBondContact O-OG1 3.05Å; D80-T83 VanDerWaalsContact O-OG1 3.06Å; T83-S85 PolarHBondContact O-N 3.37Å |
| 84 | G | 50.1 | Low | 69.3 | Low | 75 Ų | 75 | 82.7 Ų | 82.7 | 77% | 0.773 | 45% | 0.448 | S | S | * | . | trans | 57.9 | -4.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S82 E86 | S82-G84 VanDerWaalsContact C-N 3.25Å; S82-G84 PolarHBondContact O-N 2.84Å; G84-E86 PolarHBondContact O-N 2.85Å | ||
| 85 | S | 48.8 | Very low | 69.3 | Low | 72 Ų | 72 | 83.1 Ų | 83.1 | 50% | 0.503 | 45% | 0.449 | S | S | . | . | trans | -72.8 | 124.5 | 177.5 | 73.2 | 0 | 0 | 0 | 0 | 107.1 | T83 S87 | T83-S85 PolarHBondContact O-N 3.37Å; S85-S87 PolarHBondContact O-N 2.83Å | ||
| 86 | E | 48.4 | Very low | 69.2 | Low | 193 Ų | 193 | 86.4 Ų | 86.4 | 90% | 0.902 | 46% | 0.461 | S | S | * | . | trans | -52.8 | 83.9 | 154.7 | -64.7 | -178.9 | 156.7 | 0 | 0 | 107.7 | G84 Q88 | G84-E86 PolarHBondContact O-N 2.85Å; E86-Q88 PolarHBondContact O-N 3.42Å | ||
| 87 | S | 50.5 | Low | 69.3 | Low | 67 Ų | 67 | 86.7 Ų | 86.7 | 47% | 0.469 | 46% | 0.462 | S | S | . | . | trans | -61.3 | 112 | 174.7 | 51.1 | 0 | 0 | 0 | 0 | 105.2 | S85 P89 | S85-S87 PolarHBondContact O-N 2.83Å; S87-P89 VanDerWaalsContact O-N 3.12Å | ||
| 88 | Q | 46 | Very low | 69.5 | Low | 150 Ų | 150 | 88.1 Ų | 88.1 | 70% | 0.701 | 47% | 0.469 | S | S | * | . | trans | -45.1 | 125.7 | 176.3 | -71.3 | -179.3 | -13.2 | 0 | 0 | 107.9 | E86 Y90 Y91 | E86-Q88 PolarHBondContact O-N 3.42Å; Q88-Y90 PolarHBondContact O-N 3.49Å; Q88-Y91 PolarHBondContact O-N 2.91Å | ||
| 89 | P | 53.5 | Low | 69.8 | Low | 112 Ų | 112 | 88 Ų | 88 | 73% | 0.727 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -2.2 | -165.9 | 19.8 | -30.8 | 0 | 0 | 0 | 114.5 | S87 | S87-P89 VanDerWaalsContact O-N 3.12Š|
| 90 | Y | 54.8 | Low | 70.2 | Confident | 193 Ų | 193 | 87.3 Ų | 87.3 | 76% | 0.757 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -14.2 | -172.7 | -61.9 | -75.7 | 0 | 0 | 0 | 114.8 | Q88 | Q88-Y90 PolarHBondContact O-N 3.49Š|
| 91 | Y | 65.3 | Low | 70.8 | Confident | 200 Ų | 200 | 86.3 Ų | 86.3 | 78% | 0.784 | 46% | 0.456 | S | S | * | . | trans | -141.9 | 96.4 | 178 | -67.7 | -79.5 | 0 | 0 | 0 | 112.8 | Q88 | Q88-Y91 PolarHBondContact O-N 2.91Š| ||
| 92 | L | 74.1 | Confident | 71.8 | Confident | 35 Ų | 35 | 82.6 Ų | 82.6 | 18% | 0.183 | 44% | 0.435 | C | S | . | . | trans | -76.7 | 137.9 | 166.8 | -74.6 | 178.6 | 0 | 0 | 0 | 110.7 | Q77 T79 R94 R171 | Q77-L92 HydrophobicContact CB-CB 4.14Å; Q77-L92 HydrophobicContact CB-CD1 4.28Å; T79-L92 HydrophobicContact CG2-CD2 3.67Å; L92-R94 PolarHBondContact O-N 3.17Å; L92-R171 HydrophobicContact CD1-CG 4.34Å; L92-R171 VanDerWaalsContact CD1-NE 3.26Å | ||
| 93 | P | 81.8 | Confident | 73.1 | Confident | 33 Ų | 33 | 84.8 Ų | 84.8 | 21% | 0.214 | 44% | 0.441 | C | S | . | . | trans | -51.4 | 136 | 167.9 | -27 | 34.8 | 0 | 0 | 0 | 111.7 | Q77 F78 | Q77-P93 CarbonylContact C-O 3.53Å; Q77-P93 VanDerWaalsContact CA-O 3.24Å; Q77-P93 WeakPolarHBondContact CA-O 3.39Å; F78-P93 HydrophobicContact CD1-CB 3.99Å; F78-P93 HydrophobicContact CE1-CB 3.45Å; F78-P93 VanDerWaalsContact CE1-CB 3.45Å; F78-P93 HydrophobicContact CE2-CB 4.03Å; F78-P93 HydrophobicContact CE2-CG 4.42Å; F78-P93 HydrophobicContact CZ-CB 3.49Å; F78-P93 VanDerWaalsContact CZ-CB 3.49Å; F78-P93 HydrophobicContact CZ-CG 4.29Å; F78-P93 PolarHBondContact N-O 2.72Å; F78-P93 WeakPolarHBondContact O-CD 3.35Å | ||
| 94 | R | 84.4 | Confident | 74.7 | Confident | 150 Ų | 150 | 82.2 Ų | 82.2 | 57% | 0.566 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 133.9 | 179.8 | -174.1 | -179.5 | 178.3 | 175.7 | -1.1 | 110 | A75 M76 Q77 L92 E96 | A75-R94 HydrophobicContact CB-CG 4.46Å; A75-R94 VanDerWaalsContact CB-NH2 3.3Å; M76-R94 CarbonylContact O-C 3.55Å; M76-R94 VanDerWaalsContact O-CA 3.29Å; M76-R94 WeakPolarHBondContact O-CA 3.41Å; Q77-R94 HydrophobicContact CG-CB 4.4Å; Q77-R94 HydrophobicContact CG-CG 4.43Å; L92-R94 PolarHBondContact O-N 3.17Å; R94-E96 HydrophobicContact CG-CG 4.27Å; R94-E96 IonicContact CZ-OE1 3.54Å; R94-E96 IonicContact NE-OE1 2.77Å; R94-E96 PolarHBondContact NE-OE1 3.09Å; R94-E96 IonicContact NH1-OE1 3.58Å; R94-E96 IonicContact NH2-OE1 3.04Å; R94-E96 PolarHBondContact NH2-OE1 2.95Å |
| 95 | V | 87.5 | Confident | 76.8 | Confident | 16 Ų | 16 | 79.3 Ų | 79.3 | 10% | 0.097 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.9 | 170.3 | -173.5 | 0 | 0 | 0 | 0 | 107.8 | A75 M76 F78 E97 F232 V237 | A75-V95 CarbonylContact C-O 3.56Å; A75-V95 VanDerWaalsContact CA-O 3.23Å; A75-V95 WeakPolarHBondContact CA-O 3.37Å; M76-V95 PolarHBondContact N-O 3.49Å; M76-V95 PolarHBondContact O-N 3.04Å; F78-V95 HydrophobicContact CD1-CG2 3.96Å; F78-V95 HydrophobicContact CE1-CG2 3.54Å; V95-E97 HydrophobicContact CG1-CG 4.02Å; V95-F232 HydrophobicContact CB-CD1 4.14Å; V95-F232 HydrophobicContact CB-CE1 4.22Å; V95-F232 HydrophobicContact CG1-CD1 3.96Å; V95-F232 HydrophobicContact CG1-CE1 4.04Å; V95-V237 HydrophobicContact CG2-CG1 3.83Å; V95-V237 HydrophobicContact CG2-CG2 4.16Å |
| 96 | E | 88.9 | Confident | 79 | Confident | 87 Ų | 87 | 75.9 Ų | 75.9 | 41% | 0.407 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.7 | 178 | -62.5 | -179.1 | 168.8 | 0 | 0 | 108.1 | G74 A75 R94 | G74-E96 WeakPolarHBondContact O-CA 3.1Å; A75-E96 HydrophobicContact CB-CG 3.89Å; R94-E96 HydrophobicContact CG-CG 4.27Å; R94-E96 IonicContact CZ-OE1 3.54Å; R94-E96 IonicContact NE-OE1 2.77Å; R94-E96 PolarHBondContact NE-OE1 3.09Å; R94-E96 IonicContact NH1-OE1 3.58Å; R94-E96 IonicContact NH2-OE1 3.04Å; R94-E96 PolarHBondContact NH2-OE1 2.95Å |
| 97 | E | 90.3 | Very high | 81.3 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 2% | 0.023 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 149 | -175.6 | -62.3 | -167.3 | 127.2 | 0 | 0 | 111.8 | H73 G74 V95 V99 V108 H231 F232 | H73-E97 WeakPolarHBondContact CA-O 3.45Å; G74-E97 PolarHBondContact N-O 3.34Å; G74-E97 PolarHBondContact O-N 2.78Å; V95-E97 HydrophobicContact CG1-CG 4.02Å; E97-V99 HydrophobicContact CB-CG2 4.48Å; E97-V108 HydrophobicContact CB-CG1 4.29Å; E97-V108 HydrophobicContact CG-CG1 4.36Å; E97-V108 WeakPolarHBondContact OE1-CG1 3.12Å; E97-H231 WeakPolarHBondContact OE1-CA 3.38Å; E97-H231 WeakPolarHBondContact OE1-CB 3.44Å; E97-F232 HydrophobicContact CB-CE1 3.89Å; E97-F232 HydrophobicContact CB-CZ 3.77Å; E97-F232 HydrophobicContact CG-CD1 4.02Å; E97-F232 HydrophobicContact CG-CE1 3.5Å; E97-F232 VanDerWaalsContact CG-CE1 3.5Å; E97-F232 HydrophobicContact CG-CZ 3.92Å; E97-F232 WeakPolarHBondContact OE2-CD1 3.25Å; E97-F232 WeakPolarHBondContact OE2-CE1 3.36Å; E97-F232 VanDerWaalsContact OE2-CG 3.3Å; E97-F232 WeakPolarHBondContact OE2-CG 3.31Å; E97-F232 PolarHBondContact OE2-N 2.93Å |
| 98 | E | 91.9 | Very high | 83.4 | Confident | 89 Ų | 89 | 65.3 Ų | 65.3 | 42% | 0.416 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.1 | 170.2 | -44 | -167.5 | 153.9 | 0 | 0 | 108.7 | L71 Y72 H73 S109 | L71-E98 HydrophobicContact CD1-CB 4.1Å; Y72-E98 CarbonylContact O-C 3.6Å; Y72-E98 WeakPolarHBondContact O-CA 3.4Å; H73-E98 IonicContact CE1-OE1 3.05Å; H73-E98 PolarHBondContact CE1-OE1 2.79Å; H73-E98 IonicContact CE1-OE2 3.14Å; H73-E98 VanDerWaalsContact ND1-CG 3.33Å; H73-E98 WeakPolarHBondContact ND1-CG 3.42Å; H73-E98 IonicContact ND1-OE1 3.38Å; H73-E98 PolarHBondContact ND1-OE1 2.86Å; H73-E98 VanDerWaalsContact ND1-OE1 3.14Å; E98-S109 WeakPolarHBondContact O-CB 3.05Å; E98-S109 PolarHBondContact O-N 2.89Å |
| 99 | V | 93.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 123.9 | -175.9 | -170.2 | 0 | 0 | 0 | 0 | 110.5 | Y72 E97 I101 A106 V107 V108 F162 | Y72-V99 PolarHBondContact N-O 2.84Å; Y72-V99 PolarHBondContact O-N 3.49Å; E97-V99 HydrophobicContact CB-CG2 4.48Å; V99-I101 HydrophobicContact CB-CG1 4.27Å; V99-I101 HydrophobicContact CG1-CD1 4.14Å; V99-I101 HydrophobicContact CG1-CG1 3.53Å; V99-A106 HydrophobicContact CG1-CB 4.41Å; V99-V107 CarbonylContact C-O 3.58Å; V99-V107 VanDerWaalsContact CA-O 3.3Å; V99-V107 WeakPolarHBondContact CA-O 3.45Å; V99-V108 HydrophobicContact CG1-CG2 4.06Å; V99-V108 HydrophobicContact CG2-CB 4.23Å; V99-V108 HydrophobicContact CG2-CG1 4.04Å; V99-V108 HydrophobicContact CG2-CG2 3.92Å; V99-F162 HydrophobicContact CB-CE1 4.23Å; V99-F162 HydrophobicContact CB-CE2 4.19Å; V99-F162 HydrophobicContact CB-CZ 3.93Å; V99-F162 HydrophobicContact CG2-CE1 3.65Å; V99-F162 HydrophobicContact CG2-CE2 3.76Å; V99-F162 HydrophobicContact CG2-CZ 3.15Å |
| 100 | E | 93.8 | Very high | 87.6 | Confident | 44 Ų | 44 | 55 Ų | 55 | 21% | 0.206 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 113 | 167.5 | -174.1 | -176.6 | 155.4 | 0 | 0 | 108.3 | K69 M105 A106 V107 | K69-E100 HydrophobicContact CB-CG 4.18Å; K69-E100 WeakPolarHBondContact CE-OE1 3.26Å; K69-E100 WeakPolarHBondContact CG-OE1 3.32Å; K69-E100 IonicContact NZ-OE1 2.89Å; K69-E100 PolarHBondContact NZ-OE1 2.85Å; K69-E100 IonicContact NZ-OE2 3.04Å; K69-E100 PolarHBondContact NZ-OE2 2.9Å; E100-M105 HydrophobicContact CG-CE 4.13Å; E100-M105 WeakPolarHBondContact OE1-CE 3.38Å; E100-A106 CarbonylContact O-C 3.55Å; E100-A106 WeakPolarHBondContact O-CA 3.36Å; E100-V107 HydrophobicContact CB-CB 4.37Å; E100-V107 PolarHBondContact N-O 3.36Å; E100-V107 PolarHBondContact O-N 2.99Å |
| 101 | I | 92.9 | Very high | 89.2 | Confident | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 134.7 | -178 | -50.4 | 169.8 | 0 | 0 | 0 | 110.3 | R70 Y72 V99 P155 L158 I159 F162 | R70-I101 PolarHBondContact O-N 3.06Å; Y72-I101 HydrophobicContact CD2-CB 4.21Å; Y72-I101 HydrophobicContact CD2-CD1 3.71Å; Y72-I101 HydrophobicContact CD2-CG1 3.93Å; Y72-I101 HydrophobicContact CE2-CB 4.05Å; Y72-I101 HydrophobicContact CE2-CD1 4.05Å; Y72-I101 HydrophobicContact CE2-CG1 4.25Å; Y72-I101 HydrophobicContact CG-CD1 4.28Å; V99-I101 HydrophobicContact CB-CG1 4.27Å; V99-I101 HydrophobicContact CG1-CD1 4.14Å; V99-I101 HydrophobicContact CG1-CG1 3.53Å; I101-P155 HydrophobicContact CG2-CB 4.19Å; I101-L158 HydrophobicContact CD1-CB 3.83Å; I101-I159 HydrophobicContact CB-CG1 4.21Å; I101-I159 HydrophobicContact CD1-CG1 4Å; I101-I159 HydrophobicContact CG2-CD1 4.12Å; I101-I159 HydrophobicContact CG2-CG1 3.87Å; I101-F162 HydrophobicContact CD1-CD2 4.19Å |
| 102 | S | 91.2 | Very high | 90.1 | Very high | 45 Ų | 45 | 44 Ų | 44 | 32% | 0.315 | 24% | 0.237 | S | C | . | . | trans | -133.9 | 170.7 | 172.8 | -175.6 | 0 | 0 | 0 | 0 | 110 | S104 M105 | S102-S104 PolarHBondContact O-N 3.08Å; S102-M105 CarbonylContact C-O 3.55Å; S102-M105 PolarHBondContact N-O 3.45Å | ||
| 103 | D | 89.3 | Confident | 90.3 | Very high | 131 Ų | 131 | 45.2 Ų | 45.2 | 70% | 0.701 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -58.1 | -24.3 | -177.5 | -56.5 | -32.3 | 0 | 0 | 0 | 115.5 | ||
| 104 | S | 91.6 | Very high | 89.8 | Confident | 20 Ų | 20 | 53.6 Ų | 53.6 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -127.5 | -3.8 | -175.5 | 54.8 | 0 | 0 | 0 | 0 | 114.7 | S102 F127 N128 | S102-S104 PolarHBondContact O-N 3.08Å; S104-F127 PolarHBondContact O-N 2.84Å; S104-F127 VanDerWaalsContact O-N 3.08Å; S104-N128 VanDerWaalsContact CB-ND2 3.3Å; S104-N128 WeakPolarHBondContact CB-ND2 3.33Å |
| 105 | M | 94.1 | Very high | 88.7 | Confident | 15 Ų | 15 | 56 Ų | 56 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 155 | 179.6 | 70.6 | 74.2 | -179.6 | 0 | 0 | 111.4 | E100 S102 V107 L124 H125 Y194 | E100-M105 HydrophobicContact CG-CE 4.13Å; E100-M105 WeakPolarHBondContact OE1-CE 3.38Å; S102-M105 CarbonylContact C-O 3.55Å; S102-M105 PolarHBondContact N-O 3.45Å; M105-V107 HydrophobicContact SD-CG2 3.98Å; M105-L124 HydrophobicContact CB-CD1 4.24Å; M105-H125 WeakPolarHBondContact CA-O 3.46Å; M105-H125 WeakPolarHBondContact CB-O 3.16Å; M105-Y194 HydrophobicContact CB-CD2 4.34Å; M105-Y194 HydrophobicContact CB-CE2 4.35Å; M105-Y194 HydrophobicContact CG-CE1 4.34Å; M105-Y194 HydrophobicContact CG-CE2 4.42Å |
| 106 | A | 95.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 137.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | V99 E100 L124 H125 F127 L158 | V99-A106 HydrophobicContact CG1-CB 4.41Å; E100-A106 CarbonylContact O-C 3.55Å; E100-A106 WeakPolarHBondContact O-CA 3.36Å; A106-L124 WeakPolarHBondContact O-CA 3.46Å; A106-H125 HydrophobicContact CB-CB 4.43Å; A106-H125 PolarHBondContact N-O 2.9Å; A106-H125 PolarHBondContact O-N 3.06Å; A106-F127 HydrophobicContact CB-CE2 3.8Å; A106-F127 HydrophobicContact CB-CZ 4.26Å; A106-L158 HydrophobicContact CB-CD1 4.12Å |
| 107 | V | 96 | Very high | 86.8 | Confident | 32 Ų | 32 | 61.4 Ų | 61.4 | 19% | 0.194 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 114 | 175.6 | -178.2 | 0 | 0 | 0 | 0 | 109 | V99 E100 M105 Y122 I123 L124 | V99-V107 CarbonylContact C-O 3.58Å; V99-V107 VanDerWaalsContact CA-O 3.3Å; V99-V107 WeakPolarHBondContact CA-O 3.45Å; E100-V107 HydrophobicContact CB-CB 4.37Å; E100-V107 PolarHBondContact N-O 3.36Å; E100-V107 PolarHBondContact O-N 2.99Å; M105-V107 HydrophobicContact SD-CG2 3.98Å; V107-Y122 HydrophobicContact CG1-CD1 4.48Å; V107-I123 CarbonylContact C-O 3.56Å; V107-I123 VanDerWaalsContact CA-O 3.3Å; V107-I123 WeakPolarHBondContact CA-O 3.17Å; V107-L124 HydrophobicContact CG2-CB 4.48Å; V107-L124 HydrophobicContact CG2-CD1 3.56Å |
| 108 | V | 95.4 | Very high | 86.4 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.03 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 130.5 | 174.6 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | E97 V99 V110 Y122 I123 | E97-V108 HydrophobicContact CB-CG1 4.29Å; E97-V108 HydrophobicContact CG-CG1 4.36Å; E97-V108 WeakPolarHBondContact OE1-CG1 3.12Å; V99-V108 HydrophobicContact CG1-CG2 4.06Å; V99-V108 HydrophobicContact CG2-CB 4.23Å; V99-V108 HydrophobicContact CG2-CG1 4.04Å; V99-V108 HydrophobicContact CG2-CG2 3.92Å; V108-V110 HydrophobicContact CG1-CG2 4.28Å; V108-Y122 WeakPolarHBondContact O-CA 3.44Å; V108-I123 HydrophobicContact CB-CB 4.15Å; V108-I123 PolarHBondContact N-O 2.81Å; V108-I123 PolarHBondContact O-N 3Å |
| 109 | S | 94.3 | Very high | 86.3 | Confident | 31 Ų | 31 | 59.8 Ų | 59.8 | 22% | 0.217 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 108.6 | 174.9 | -54.2 | 0 | 0 | 0 | 0 | 109.2 | E98 P111 Y122 | E98-S109 WeakPolarHBondContact O-CB 3.05Å; E98-S109 PolarHBondContact O-N 2.89Å; S109-P111 WeakPolarHBondContact O-CD 3.3Å; S109-Y122 WeakPolarHBondContact OG-CE1 3.28Å |
| 110 | V | 92.7 | Very high | 86.3 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 9% | 0.085 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 110.6 | 177.8 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | V108 A121 I123 I229 H231 | V108-V110 HydrophobicContact CG1-CG2 4.28Å; V110-A121 WeakPolarHBondContact CB-O 3.3Å; V110-A121 PolarHBondContact N-O 2.9Å; V110-A121 PolarHBondContact O-N 3.11Å; V110-I123 HydrophobicContact CG2-CD1 3.74Å; V110-I123 HydrophobicContact CG2-CG1 4.28Å; V110-I229 HydrophobicContact CG1-CG2 4.3Å; V110-I229 HydrophobicContact CG2-CG2 4.04Å; V110-H231 HydrophobicContact CG2-CB 4.2Å |
| 111 | P | 89.1 | Confident | 86.3 | Confident | 69 Ų | 69 | 58.6 Ų | 58.6 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -71 | 157.9 | -178.9 | 30.2 | -35 | 0 | 0 | 0 | 111.3 | S109 | S109-P111 WeakPolarHBondContact O-CD 3.3Š|
| 112 | P | 85.1 | Confident | 86.5 | Confident | 94 Ų | 94 | 62.8 Ų | 62.8 | 61% | 0.61 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -55 | 132.7 | 170.1 | -22.3 | 32.4 | 0 | 0 | 0 | 110.5 | P120 | P112-P120 HydrophobicContact CB-CB 4.37Å; P112-P120 HydrophobicContact CG-CB 4.02Å; P112-P120 HydrophobicContact CG-CG 4.5Å |
| 113 | P | 77.4 | Confident | 86.7 | Confident | 61 Ų | 61 | 60.6 Ų | 60.6 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 143 | -174.2 | 34 | -40.6 | 0 | 0 | 0 | 111 | R116 G118 | P113-R116 WeakPolarHBondContact CB-O 3.34Å; P113-R116 VanDerWaalsContact CG-O 3.24Å; P113-R116 WeakPolarHBondContact CG-O 3.32Å; P113-G118 WeakPolarHBondContact CD-O 3.48Å; P113-G118 WeakPolarHBondContact CG-O 3.1Å |
| 114 | R | 70.1 | Confident | 87.1 | Confident | 208 Ų | 208 | 54.6 Ų | 54.6 | 79% | 0.785 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -86.9 | -33.6 | -179.5 | -63.7 | -176.5 | -176.3 | 176.3 | 4.5 | 113.7 | ||
| 115 | F | 61.8 | Low | 87.4 | Confident | 200 Ų | 200 | 53.7 Ų | 53.7 | 88% | 0.877 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -133 | -19.1 | -166.3 | -60.5 | -71 | 0 | 0 | 0 | 115.3 | ||
| 116 | R | 66.9 | Low | 87.5 | Confident | 121 Ų | 121 | 53.2 Ų | 53.2 | 46% | 0.457 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -126.7 | 156.1 | -176.3 | -71.7 | -111 | -176.5 | 157.7 | -1.8 | 109.6 | P113 G118 | P113-R116 WeakPolarHBondContact CB-O 3.34Å; P113-R116 VanDerWaalsContact CG-O 3.24Å; P113-R116 WeakPolarHBondContact CG-O 3.32Å; R116-G118 PolarHBondContact O-N 2.93Å |
| 117 | P | 71.1 | Confident | 87.5 | Confident | 96 Ų | 96 | 54.8 Ų | 54.8 | 62% | 0.623 | 28% | 0.278 | S | S | * | . | trans | -60.1 | 139.3 | 170.1 | 25.5 | -33.1 | 0 | 0 | 0 | 110.1 | ||||
| 118 | G | 81.4 | Confident | 87.5 | Confident | 18 Ų | 18 | 59.1 Ų | 59.1 | 19% | 0.186 | 30% | 0.3 | C | S | . | . | trans | 174.1 | 142.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110 | P113 R116 T228 | P113-G118 WeakPolarHBondContact CD-O 3.48Å; P113-G118 WeakPolarHBondContact CG-O 3.1Å; R116-G118 PolarHBondContact O-N 2.93Å; G118-T228 CarbonylContact C-O 3.59Å; G118-T228 VanDerWaalsContact CA-O 3.3Å; G118-T228 WeakPolarHBondContact CA-O 3.46Å | ||
| 119 | D | 89.1 | Confident | 87.5 | Confident | 42 Ų | 42 | 66.2 Ų | 66.2 | 23% | 0.225 | 33% | 0.327 | C | S | . | . | trans | -101 | 130.4 | -177.2 | -63 | -72.9 | 0 | 0 | 0 | 109.6 | F227 T228 I229 | D119-F227 HydrophobicContact CB-CB 4.39Å; D119-F227 WeakPolarHBondContact OD2-CA 3.28Å; D119-F227 WeakPolarHBondContact OD2-CB 3.3Å; D119-T228 PolarHBondContact N-O 2.9Å; D119-T228 PolarHBondContact OD2-N 3.42Å; D119-I229 HydrophobicContact CB-CG1 4.48Å | ||
| 120 | P | 92.9 | Very high | 87.6 | Confident | 20 Ų | 20 | 71.2 Ų | 71.2 | 13% | 0.13 | 34% | 0.344 | C | S | . | . | trans | -67.8 | 135.4 | 178.2 | 28.7 | -33.7 | 0 | 0 | 0 | 109.9 | P112 L137 | P112-P120 HydrophobicContact CB-CB 4.37Å; P112-P120 HydrophobicContact CG-CB 4.02Å; P112-P120 HydrophobicContact CG-CG 4.5Å; P120-L137 HydrophobicContact CB-CB 4.37Å; P120-L137 HydrophobicContact CB-CD1 4.18Å; P120-L137 HydrophobicContact CG-CB 4.24Å; P120-L137 WeakPolarHBondContact O-CB 2.91Å; P120-L137 PolarHBondContact O-N 2.88Å | ||
| 121 | A | 95.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.008 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 156.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V110 L135 I229 | V110-A121 WeakPolarHBondContact CB-O 3.3Å; V110-A121 PolarHBondContact N-O 2.9Å; V110-A121 PolarHBondContact O-N 3.11Å; A121-L135 CarbonylContact C-O 3.55Å; A121-L135 WeakPolarHBondContact CA-O 3.45Å; A121-L135 WeakPolarHBondContact CB-O 3.3Å; A121-I229 HydrophobicContact CB-CD1 3.66Å; A121-I229 HydrophobicContact CB-CG1 4.17Å; A121-I229 HydrophobicContact CB-CG2 4.16Å |
| 122 | Y | 96.1 | Very high | 88.2 | Confident | 95 Ų | 95 | 68.6 Ų | 68.6 | 37% | 0.373 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 135.3 | 159.3 | -70.9 | -64.7 | 0 | 0 | 0 | 109.5 | V107 V108 S109 L135 L137 | V107-Y122 HydrophobicContact CG1-CD1 4.48Å; V108-Y122 WeakPolarHBondContact O-CA 3.44Å; S109-Y122 WeakPolarHBondContact OG-CE1 3.28Å; Y122-L135 HydrophobicContact CD2-CD2 4.16Å; Y122-L135 PolarHBondContact N-O 2.88Å; Y122-L135 PolarHBondContact O-N 2.78Å; Y122-L137 HydrophobicContact CD2-CD1 4.29Å; Y122-L137 HydrophobicContact CD2-CD2 3.68Å; Y122-L137 HydrophobicContact CD2-CG 4.34Å; Y122-L137 HydrophobicContact CE2-CD1 4.08Å; Y122-L137 HydrophobicContact CE2-CD2 3.76Å; Y122-L137 HydrophobicContact CE2-CG 4.48Å |
| 123 | I | 96.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 113.9 | -179.2 | -47 | 172.3 | 0 | 0 | 0 | 107.8 | V107 V108 V110 T132 V133 Y134 I229 H231 E233 | V107-I123 CarbonylContact C-O 3.56Å; V107-I123 VanDerWaalsContact CA-O 3.3Å; V107-I123 WeakPolarHBondContact CA-O 3.17Å; V108-I123 HydrophobicContact CB-CB 4.15Å; V108-I123 PolarHBondContact N-O 2.81Å; V108-I123 PolarHBondContact O-N 3Å; V110-I123 HydrophobicContact CG2-CD1 3.74Å; V110-I123 HydrophobicContact CG2-CG1 4.28Å; I123-T132 HydrophobicContact CG2-CG2 3.71Å; I123-V133 CarbonylContact C-O 3.53Å; I123-V133 WeakPolarHBondContact CA-O 3.44Å; I123-Y134 HydrophobicContact CB-CD1 4.43Å; I123-Y134 HydrophobicContact CB-CE1 4.49Å; I123-Y134 HydrophobicContact CD1-CD1 3.92Å; I123-Y134 HydrophobicContact CD1-CE1 3.73Å; I123-Y134 HydrophobicContact CG1-CD1 3.76Å; I123-Y134 HydrophobicContact CG1-CE1 3.99Å; I123-Y134 HydrophobicContact CG2-CD1 3.96Å; I123-Y134 HydrophobicContact CG2-CE1 3.74Å; I123-Y134 HydrophobicContact CG2-CG 4.46Å; I123-I229 HydrophobicContact CD1-CG2 3.95Å; I123-H231 HydrophobicContact CD1-CB 3.95Å; I123-H231 WeakPolarHBondContact CD1-CD2 3.15Å; I123-E233 WeakPolarHBondContact CG2-OE1 3.46Å |
| 124 | L | 97.3 | Very high | 89.7 | Confident | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.2 | 180 | 167.4 | 68.9 | 0 | 0 | 0 | 109.3 | M105 A106 V107 T132 V133 I195 L198 | M105-L124 HydrophobicContact CB-CD1 4.24Å; A106-L124 WeakPolarHBondContact O-CA 3.46Å; V107-L124 HydrophobicContact CG2-CB 4.48Å; V107-L124 HydrophobicContact CG2-CD1 3.56Å; L124-T132 CarbonylContact O-C 3.52Å; L124-T132 WeakPolarHBondContact O-CA 3.37Å; L124-V133 HydrophobicContact CB-CB 4.39Å; L124-V133 PolarHBondContact N-O 3.13Å; L124-V133 PolarHBondContact O-N 2.69Å; L124-I195 HydrophobicContact CD2-CG1 3.94Å; L124-L198 HydrophobicContact CB-CD2 3.72Å; L124-L198 HydrophobicContact CD2-CB 4.4Å; L124-L198 HydrophobicContact CD2-CD2 3.99Å |
| 125 | H | 97.1 | Very high | 91 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 120.8 | 165.7 | -57.3 | -61.5 | 0 | 0 | 0 | 109.7 | M105 A106 F127 T132 L147 E233 | M105-H125 WeakPolarHBondContact CA-O 3.46Å; M105-H125 WeakPolarHBondContact CB-O 3.16Å; A106-H125 HydrophobicContact CB-CB 4.43Å; A106-H125 PolarHBondContact N-O 2.9Å; A106-H125 PolarHBondContact O-N 3.06Å; H125-F127 HydrophobicContact CB-CD2 4.41Å; H125-F127 HydrophobicContact CB-CE1 4.44Å; H125-F127 HydrophobicContact CB-CE2 3.86Å; H125-F127 HydrophobicContact CB-CZ 3.89Å; H125-T132 WeakPolarHBondContact ND1-CG2 3.38Å; H125-T132 PolarHBondContact ND1-OG1 3.29Å; H125-L147 HydrophobicContact CB-CD1 4.45Å; H125-E233 IonicContact CE1-OE1 2.72Å; H125-E233 PolarHBondContact CE1-OE1 2.81Å; H125-E233 IonicContact CE1-OE2 2.91Å; H125-E233 PolarHBondContact CE1-OE2 2.93Å; H125-E233 IonicContact NE2-OE1 3.25Å; H125-E233 PolarHBondContact NE2-OE1 2.69Å; H125-E233 IonicContact NE2-OE2 2.72Å |
| 126 | D | 96.8 | Very high | 92.5 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.027 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 101.4 | 165.5 | -171.9 | -34.6 | 0 | 0 | 0 | 108.2 | N128 R129 K130 L131 I195 | D126-N128 VanDerWaalsContact C-N 3.29Å; D126-N128 PolarHBondContact O-N 2.75Å; D126-N128 WeakPolarHBondContact OD1-CB 3.3Å; D126-N128 PolarHBondContact OD1-N 2.83Å; D126-R129 HydrophobicContact CB-CB 4.19Å; D126-R129 PolarHBondContact OD1-N 2.85Å; D126-R129 WeakPolarHBondContact OD2-CG 3.41Å; D126-K130 VanDerWaalsContact O-CA 3.28Å; D126-K130 WeakPolarHBondContact O-CA 3.29Å; D126-K130 PolarHBondContact O-N 2.91Å; D126-L131 PolarHBondContact N-O 2.97Å; D126-L131 PolarHBondContact O-N 2.82Å; D126-L131 VanDerWaalsContact O-N 3.12Å; D126-I195 HydrophobicContact CB-CD1 4.46Å |
| 127 | F | 95.7 | Very high | 93.7 | Very high | 33 Ų | 33 | 40.4 Ų | 40.4 | 15% | 0.145 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -25.8 | -177.1 | -64.6 | -81.9 | 0 | 0 | 0 | 112.2 | S104 A106 H125 L147 V152 L153 P155 L158 | S104-F127 PolarHBondContact O-N 2.84Å; S104-F127 VanDerWaalsContact O-N 3.08Å; A106-F127 HydrophobicContact CB-CE2 3.8Å; A106-F127 HydrophobicContact CB-CZ 4.26Å; H125-F127 HydrophobicContact CB-CD2 4.41Å; H125-F127 HydrophobicContact CB-CE1 4.44Å; H125-F127 HydrophobicContact CB-CE2 3.86Å; H125-F127 HydrophobicContact CB-CZ 3.89Å; F127-L147 HydrophobicContact CD1-CD2 3.75Å; F127-L147 HydrophobicContact CE1-CD2 4.2Å; F127-L147 HydrophobicContact CG-CD2 4.48Å; F127-V152 HydrophobicContact CE1-CG1 4.1Å; F127-V152 HydrophobicContact CZ-CG1 4.32Å; F127-L153 WeakPolarHBondContact CE1-O 3.4Å; F127-P155 HydrophobicContact CD1-CG 4.39Å; F127-P155 HydrophobicContact CD2-CG 3.57Å; F127-P155 HydrophobicContact CE1-CG 4.44Å; F127-P155 HydrophobicContact CE2-CG 3.63Å; F127-P155 HydrophobicContact CG-CG 3.97Å; F127-P155 HydrophobicContact CZ-CG 4.08Å; F127-L158 HydrophobicContact CZ-CD1 3.94Å |
| 128 | N | 94.6 | Very high | 94.7 | Very high | 122 Ų | 122 | 40.4 Ų | 40.4 | 65% | 0.652 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -46.2 | 177.9 | -73.7 | -12.5 | 0 | 0 | 0 | 111.2 | S104 D126 K130 | S104-N128 VanDerWaalsContact CB-ND2 3.3Å; S104-N128 WeakPolarHBondContact CB-ND2 3.33Å; D126-N128 VanDerWaalsContact C-N 3.29Å; D126-N128 PolarHBondContact O-N 2.75Å; D126-N128 WeakPolarHBondContact OD1-CB 3.3Å; D126-N128 PolarHBondContact OD1-N 2.83Å; N128-K130 VanDerWaalsContact C-N 3.31Å |
| 129 | R | 95.5 | Very high | 95.1 | Very high | 155 Ų | 155 | 43.3 Ų | 43.3 | 59% | 0.585 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -13.8 | 177.5 | -63.5 | -69.6 | -175.3 | -174.6 | 1.6 | 112.8 | D126 L131 | D126-R129 HydrophobicContact CB-CB 4.19Å; D126-R129 PolarHBondContact OD1-N 2.85Å; D126-R129 WeakPolarHBondContact OD2-CG 3.41Å; R129-L131 VanDerWaalsContact C-N 3.33Å; R129-L131 HydrophobicContact CB-CD1 4.14Å; R129-L131 HydrophobicContact CB-CG 4.22Å |
| 130 | K | 96.5 | Very high | 95.4 | Very high | 136 Ų | 136 | 49.9 Ų | 49.9 | 59% | 0.591 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 47.9 | -174 | -55.4 | 178.8 | -178.6 | -179.1 | 0 | 111.3 | D126 N128 L147 | D126-K130 VanDerWaalsContact O-CA 3.28Å; D126-K130 WeakPolarHBondContact O-CA 3.29Å; D126-K130 PolarHBondContact O-N 2.91Å; N128-K130 VanDerWaalsContact C-N 3.31Å; K130-L147 HydrophobicContact CB-CB 4.31Å; K130-L147 WeakPolarHBondContact O-CB 3.38Å; K130-L147 PolarHBondContact O-N 2.9Å |
| 131 | L | 97.2 | Very high | 95.4 | Very high | 23 Ų | 23 | 49.5 Ų | 49.5 | 12% | 0.12 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142.2 | 177.5 | -67.2 | 174.5 | 0 | 0 | 0 | 109.7 | D126 R129 V144 L191 I195 | D126-L131 PolarHBondContact N-O 2.97Å; D126-L131 PolarHBondContact O-N 2.82Å; D126-L131 VanDerWaalsContact O-N 3.12Å; R129-L131 VanDerWaalsContact C-N 3.33Å; R129-L131 HydrophobicContact CB-CD1 4.14Å; R129-L131 HydrophobicContact CB-CG 4.22Å; L131-V144 HydrophobicContact CD2-CG1 4.24Å; L131-L191 HydrophobicContact CD1-CB 4.44Å; L131-L191 HydrophobicContact CD1-CD2 4.31Å; L131-I195 HydrophobicContact CB-CD1 3.75Å; L131-I195 HydrophobicContact CD1-CD1 3.68Å; L131-I195 HydrophobicContact CG-CD1 4.37Å |
| 132 | T | 97.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 138.8 | 165.7 | -58.5 | 0 | 0 | 0 | 0 | 108.5 | I123 L124 H125 Y134 I145 L147 | I123-T132 HydrophobicContact CG2-CG2 3.71Å; L124-T132 CarbonylContact O-C 3.52Å; L124-T132 WeakPolarHBondContact O-CA 3.37Å; H125-T132 WeakPolarHBondContact ND1-CG2 3.38Å; H125-T132 PolarHBondContact ND1-OG1 3.29Å; T132-Y134 HydrophobicContact CG2-CD2 4.04Å; T132-Y134 HydrophobicContact CG2-CE2 3.47Å; T132-Y134 VanDerWaalsContact CG2-CE2 3.47Å; T132-I145 PolarHBondContact N-O 3.21Å; T132-I145 PolarHBondContact O-N 3.1Å; T132-L147 WeakPolarHBondContact OG1-CD1 3.24Å |
| 133 | V | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.6 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | I123 L124 C142 F143 V144 I195 L198 C199 | I123-V133 CarbonylContact C-O 3.53Å; I123-V133 WeakPolarHBondContact CA-O 3.44Å; L124-V133 HydrophobicContact CB-CB 4.39Å; L124-V133 PolarHBondContact N-O 3.13Å; L124-V133 PolarHBondContact O-N 2.69Å; V133-C142 HydrophobicContact CG1-CB 4.21Å; V133-F143 CarbonylContact C-O 3.58Å; V133-F143 WeakPolarHBondContact CA-O 3.09Å; V133-V144 HydrophobicContact CG1-CG2 4.4Å; V133-V144 HydrophobicContact CG2-CG1 4.33Å; V133-V144 HydrophobicContact CG2-CG2 4.1Å; V133-I195 HydrophobicContact CG2-CB 4.29Å; V133-I195 HydrophobicContact CG2-CD1 3.63Å; V133-I195 HydrophobicContact CG2-CG1 3.64Å; V133-I195 HydrophobicContact CG2-CG2 3.82Å; V133-L198 HydrophobicContact CG1-CD2 4.34Å; V133-C199 VanDerWaalsContact CG1-SG 3.55Å |
| 134 | Y | 96.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 116 | 171.6 | -63.4 | -97.5 | 0 | 0 | 0 | 108.1 | I123 T132 C142 F143 I145 M207 I229 H231 T240 I242 | I123-Y134 HydrophobicContact CB-CD1 4.43Å; I123-Y134 HydrophobicContact CB-CE1 4.49Å; I123-Y134 HydrophobicContact CD1-CD1 3.92Å; I123-Y134 HydrophobicContact CD1-CE1 3.73Å; I123-Y134 HydrophobicContact CG1-CD1 3.76Å; I123-Y134 HydrophobicContact CG1-CE1 3.99Å; I123-Y134 HydrophobicContact CG2-CD1 3.96Å; I123-Y134 HydrophobicContact CG2-CE1 3.74Å; I123-Y134 HydrophobicContact CG2-CG 4.46Å; T132-Y134 HydrophobicContact CG2-CD2 4.04Å; T132-Y134 HydrophobicContact CG2-CE2 3.47Å; T132-Y134 VanDerWaalsContact CG2-CE2 3.47Å; Y134-C142 CarbonylContact O-C 3.58Å; Y134-C142 WeakPolarHBondContact O-CA 3.44Å; Y134-F143 PolarHBondContact N-O 3.13Å; Y134-F143 PolarHBondContact O-N 3.18Å; Y134-I145 HydrophobicContact CD2-CG2 4.44Å; Y134-I145 HydrophobicContact CE2-CG2 3.95Å; Y134-M207 HydrophobicContact CD2-CE 3.66Å; Y134-M207 HydrophobicContact CE2-CE 4.29Å; Y134-M207 HydrophobicContact CG-CE 4.41Å; Y134-I229 HydrophobicContact CD1-CD1 3.87Å; Y134-H231 AromaticContact CE1-NE2 3.76Å; Y134-H231 PolarHBondContact OH-NE2 3Å; Y134-T240 HydrophobicContact CE1-CG2 4.37Å; Y134-I242 HydrophobicContact CG-CD1 4.28Å |
| 135 | L | 96.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 107.1 | 169.6 | 168.7 | 58.5 | 0 | 0 | 0 | 108.4 | A121 Y122 L137 L198 K202 | A121-L135 CarbonylContact C-O 3.55Å; A121-L135 WeakPolarHBondContact CA-O 3.45Å; A121-L135 WeakPolarHBondContact CB-O 3.3Å; Y122-L135 HydrophobicContact CD2-CD2 4.16Å; Y122-L135 PolarHBondContact N-O 2.88Å; Y122-L135 PolarHBondContact O-N 2.78Å; L135-L137 HydrophobicContact CD2-CD2 4.44Å; L135-L137 HydrophobicContact CG-CD2 4.37Å; L135-L137 PolarHBondContact O-N 2.84Å; L135-L198 HydrophobicContact CB-CD2 4.34Å; L135-L198 HydrophobicContact CB-CG 4.44Å; L135-L198 HydrophobicContact CD2-CD1 3.65Å; L135-L198 HydrophobicContact CD2-CG 4.03Å; L135-K202 HydrophobicContact CD1-CD 3.45Å; L135-K202 VanDerWaalsContact CD1-CD 3.45Å; L135-K202 HydrophobicContact CD2-CD 4.32Å |
| 136 | D | 94.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 123.7 | 171.4 | -175.8 | -42.3 | 0 | 0 | 0 | 109.2 | T138 L139 R140 T141 F143 F227 | D136-T138 WeakPolarHBondContact OD1-CA 3.3Å; D136-T138 VanDerWaalsContact OD1-CB 3.28Å; D136-T138 WeakPolarHBondContact OD1-CB 3.34Å; D136-T138 PolarHBondContact OD1-N 2.8Å; D136-L139 HydrophobicContact CB-CB 4.23Å; D136-L139 PolarHBondContact OD1-N 2.81Å; D136-R140 WeakPolarHBondContact O-CA 2.94Å; D136-R140 PolarHBondContact O-N 2.83Å; D136-T141 PolarHBondContact N-O 2.85Å; D136-T141 PolarHBondContact O-N 3.05Å; D136-F143 HydrophobicContact CB-CE2 4.05Å; D136-F227 HydrophobicContact CB-CE2 4.46Å |
| 137 | L | 93 | Very high | 95.5 | Very high | 78 Ų | 78 | 48.6 Ų | 48.6 | 41% | 0.408 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -23.1 | -177.9 | -66.7 | 179.3 | 0 | 0 | 0 | 113.4 | P120 Y122 L135 | P120-L137 HydrophobicContact CB-CB 4.37Å; P120-L137 HydrophobicContact CB-CD1 4.18Å; P120-L137 HydrophobicContact CG-CB 4.24Å; P120-L137 WeakPolarHBondContact O-CB 2.91Å; P120-L137 PolarHBondContact O-N 2.88Å; Y122-L137 HydrophobicContact CD2-CD1 4.29Å; Y122-L137 HydrophobicContact CD2-CD2 3.68Å; Y122-L137 HydrophobicContact CD2-CG 4.34Å; Y122-L137 HydrophobicContact CE2-CD1 4.08Å; Y122-L137 HydrophobicContact CE2-CD2 3.76Å; Y122-L137 HydrophobicContact CE2-CG 4.48Å; L135-L137 HydrophobicContact CD2-CD2 4.44Å; L135-L137 HydrophobicContact CG-CD2 4.37Å; L135-L137 PolarHBondContact O-N 2.84Å |
| 138 | T | 90.8 | Very high | 95.3 | Very high | 97 Ų | 97 | 49.2 Ų | 49.2 | 60% | 0.595 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -50.4 | 177.7 | -53.3 | 0 | 0 | 0 | 0 | 110.6 | D136 | D136-T138 WeakPolarHBondContact OD1-CA 3.3Å; D136-T138 VanDerWaalsContact OD1-CB 3.28Å; D136-T138 WeakPolarHBondContact OD1-CB 3.34Å; D136-T138 PolarHBondContact OD1-N 2.8Å |
| 139 | L | 90.8 | Very high | 95.1 | Very high | 78 Ų | 78 | 48 Ų | 48 | 41% | 0.408 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -19.2 | -179.8 | -61.7 | 179.4 | 0 | 0 | 0 | 112.7 | D136 T141 F227 | D136-L139 HydrophobicContact CB-CB 4.23Å; D136-L139 PolarHBondContact OD1-N 2.81Å; L139-T141 PolarHBondContact O-N 2.87Å; L139-T141 PolarHBondContact O-OG1 2.75Å; L139-F227 HydrophobicContact CD1-CD1 4.3Å; L139-F227 HydrophobicContact CD1-CE1 4.36Å |
| 140 | R | 93.8 | Very high | 94.8 | Very high | 180 Ų | 180 | 45.5 Ų | 45.5 | 68% | 0.679 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 35.6 | -174.8 | -146.3 | 178.9 | -166.7 | 178.3 | -0.1 | 112.3 | D136 K202 | D136-R140 WeakPolarHBondContact O-CA 2.94Å; D136-R140 PolarHBondContact O-N 2.83Å; R140-K202 WeakPolarHBondContact O-CB 3.47Å |
| 141 | T | 94.9 | Very high | 94.4 | Very high | 13 Ų | 13 | 41 Ų | 41 | 8% | 0.08 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137.4 | -174 | -62.3 | 0 | 0 | 0 | 0 | 110 | D136 L139 F143 E203 Y205 | D136-T141 PolarHBondContact N-O 2.85Å; D136-T141 PolarHBondContact O-N 3.05Å; L139-T141 PolarHBondContact O-N 2.87Å; L139-T141 PolarHBondContact O-OG1 2.75Å; T141-F143 HydrophobicContact CG2-CD1 4.41Å; T141-F143 HydrophobicContact CG2-CD2 4.35Å; T141-F143 HydrophobicContact CG2-CE1 3.82Å; T141-F143 HydrophobicContact CG2-CE2 3.73Å; T141-F143 HydrophobicContact CG2-CZ 3.45Å; T141-F143 VanDerWaalsContact CG2-CZ 3.45Å; T141-E203 CarbonylContact C-O 3.53Å; T141-E203 WeakPolarHBondContact CA-O 3.37Å; T141-E203 HydrophobicContact CG2-CB 4.16Å; T141-E203 WeakPolarHBondContact CG2-O 3.43Å; T141-Y205 HydrophobicContact CG2-CD2 3.45Å; T141-Y205 VanDerWaalsContact CG2-CD2 3.45Å; T141-Y205 HydrophobicContact CG2-CE2 3.62Å |
| 142 | C | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.6 | 173.2 | -80.9 | 0 | 0 | 0 | 0 | 111.3 | V133 Y134 C199 E203 T204 Y205 | V133-C142 HydrophobicContact CG1-CB 4.21Å; Y134-C142 CarbonylContact O-C 3.58Å; Y134-C142 WeakPolarHBondContact O-CA 3.44Å; C142-C199 HydrophobicContact CB-CB 3.76Å; C142-C199 WeakPolarHBondContact CB-SG 3.31Å; C142-C199 WeakPolarHBondContact SG-CA 3.28Å; C142-C199 WeakPolarHBondContact SG-CB 3.29Å; C142-C199 CovalentContact SG-SG 2.04Å; C142-C199 PolarHBondContact SG-SG 3.34Å; C142-E203 PolarHBondContact N-O 3.36Å; C142-T204 HydrophobicContact CB-CG2 3.97Å; C142-T204 CarbonylContact O-C 3.52Å; C142-T204 VanDerWaalsContact O-CA 3.28Å; C142-T204 WeakPolarHBondContact O-CA 3.5Å; C142-Y205 PolarHBondContact O-N 2.91Å |
| 143 | F | 97.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 124.1 | 175.8 | -55.4 | -87.3 | 0 | 0 | 0 | 110.5 | V133 Y134 D136 T141 V181 Y205 M207 F227 | V133-F143 CarbonylContact C-O 3.58Å; V133-F143 WeakPolarHBondContact CA-O 3.09Å; Y134-F143 PolarHBondContact N-O 3.13Å; Y134-F143 PolarHBondContact O-N 3.18Å; D136-F143 HydrophobicContact CB-CE2 4.05Å; T141-F143 HydrophobicContact CG2-CD1 4.41Å; T141-F143 HydrophobicContact CG2-CD2 4.35Å; T141-F143 HydrophobicContact CG2-CE1 3.82Å; T141-F143 HydrophobicContact CG2-CE2 3.73Å; T141-F143 HydrophobicContact CG2-CZ 3.45Å; T141-F143 VanDerWaalsContact CG2-CZ 3.45Å; F143-V181 HydrophobicContact CD1-CG2 3.89Å; F143-V181 HydrophobicContact CE1-CG2 3.75Å; F143-Y205 CarbonylContact C-O 3.58Å; F143-Y205 VanDerWaalsContact CA-O 3.3Å; F143-Y205 WeakPolarHBondContact CA-O 3.41Å; F143-Y205 HydrophobicContact CE1-CD2 4.2Å; F143-M207 HydrophobicContact CB-CE 3.27Å; F143-M207 HydrophobicContact CB-CG 3.87Å; F143-M207 HydrophobicContact CB-SD 3.41Å; F143-M207 WeakPolarHBondContact CB-SD 3.43Å; F143-M207 HydrophobicContact CD1-CG 4.24Å; F143-M207 HydrophobicContact CD1-SD 4.12Å; F143-M207 HydrophobicContact CG-CE 4.38Å; F143-M207 HydrophobicContact CG-CG 4.49Å; F143-M207 HydrophobicContact CG-SD 3.98Å; F143-F227 HydrophobicContact CD2-CE2 4.29Å; F143-F227 AromaticContact CD2-CZ 3.64Å; F143-F227 HydrophobicContact CD2-CZ 3.64Å; F143-F227 HydrophobicContact CE1-CE1 4.28Å; F143-F227 HydrophobicContact CE1-CZ 4.15Å; F143-F227 AromaticContact CE2-CE1 3.85Å; F143-F227 HydrophobicContact CE2-CE1 3.85Å; F143-F227 HydrophobicContact CE2-CE2 4.01Å; F143-F227 AromaticContact CE2-CZ 3.21Å; F143-F227 HydrophobicContact CE2-CZ 3.21Å; F143-F227 HydrophobicContact CG-CZ 4.27Å; F143-F227 AromaticContact CZ-CE1 3.65Å; F143-F227 HydrophobicContact CZ-CE1 3.65Å; F143-F227 AromaticContact CZ-CZ 3.49Å; F143-F227 HydrophobicContact CZ-CZ 3.49Å; F143-F227 VanDerWaalsContact CZ-CZ 3.49Å |
| 144 | V | 97.4 | Very high | 94 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.2 | -169.6 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | L131 V133 I185 L191 T204 Y205 R206 M207 | L131-V144 HydrophobicContact CD2-CG1 4.24Å; V133-V144 HydrophobicContact CG1-CG2 4.4Å; V133-V144 HydrophobicContact CG2-CG1 4.33Å; V133-V144 HydrophobicContact CG2-CG2 4.1Å; V144-I185 HydrophobicContact CB-CD1 4.17Å; V144-I185 HydrophobicContact CG2-CD1 4.19Å; V144-L191 HydrophobicContact CG1-CD1 4.49Å; V144-L191 HydrophobicContact CG2-CD1 4.07Å; V144-T204 HydrophobicContact CG2-CG2 3.62Å; V144-Y205 PolarHBondContact N-O 3.44Å; V144-R206 CarbonylContact O-C 3.53Å; V144-R206 WeakPolarHBondContact O-CA 3.49Å; V144-M207 PolarHBondContact O-N 2.91Å |
| 145 | I | 96.6 | Very high | 93.8 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 148.9 | 178 | -169.2 | 169.6 | 0 | 0 | 0 | 110.9 | T132 Y134 L147 L179 M207 R209 | T132-I145 PolarHBondContact N-O 3.21Å; T132-I145 PolarHBondContact O-N 3.1Å; Y134-I145 HydrophobicContact CD2-CG2 4.44Å; Y134-I145 HydrophobicContact CE2-CG2 3.95Å; I145-L147 PolarHBondContact O-N 3.12Å; I145-L179 HydrophobicContact CD1-CD1 3.89Å; I145-L179 HydrophobicContact CD1-CD2 3.41Å; I145-L179 VanDerWaalsContact CD1-CD2 3.41Å; I145-L179 HydrophobicContact CD1-CG 4.28Å; I145-M207 HydrophobicContact CB-CB 4.42Å; I145-M207 HydrophobicContact CB-CE 4.33Å; I145-M207 HydrophobicContact CG2-CE 4.39Å; I145-R209 HydrophobicContact CD1-CG 4.31Å |
| 146 | P | 96.5 | Very high | 93.7 | Very high | 60 Ų | 60 | 49.5 Ų | 49.5 | 39% | 0.39 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 130 | 167.8 | -25.1 | 35.9 | 0 | 0 | 0 | 112.1 | N148 | P146-N148 PolarHBondContact O-N 3.3Å |
| 147 | L | 95 | Very high | 93.7 | Very high | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | trans | -61.8 | 129.5 | 177.7 | -179.9 | 69 | 0 | 0 | 0 | 109.9 | H125 F127 K130 T132 I145 T149 V152 | H125-L147 HydrophobicContact CB-CD1 4.45Å; F127-L147 HydrophobicContact CD1-CD2 3.75Å; F127-L147 HydrophobicContact CE1-CD2 4.2Å; F127-L147 HydrophobicContact CG-CD2 4.48Å; K130-L147 HydrophobicContact CB-CB 4.31Å; K130-L147 WeakPolarHBondContact O-CB 3.38Å; K130-L147 PolarHBondContact O-N 2.9Å; T132-L147 WeakPolarHBondContact OG1-CD1 3.24Å; I145-L147 PolarHBondContact O-N 3.12Å; L147-T149 HydrophobicContact CD2-CG2 4.09Å; L147-T149 HydrophobicContact CG-CG2 4.29Å; L147-T149 PolarHBondContact O-N 3.06Å; L147-V152 HydrophobicContact CD1-CB 3.82Å; L147-V152 HydrophobicContact CD1-CG1 4Å; L147-V152 HydrophobicContact CD1-CG2 3.62Å | ||
| 148 | N | 92.6 | Very high | 93.7 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 25% | 0.246 | 27% | 0.272 | C | S | . | . | trans | -94.7 | 95.3 | 172.3 | -172.9 | -9 | 0 | 0 | 0 | 109.8 | P146 S150 V151 V152 | P146-N148 PolarHBondContact O-N 3.3Å; N148-S150 PolarHBondContact O-N 2.77Å; N148-S150 VanDerWaalsContact O-N 3.13Å; N148-S150 WeakPolarHBondContact OD1-CB 3.47Å; N148-S150 PolarHBondContact OD1-N 2.69Å; N148-V151 HydrophobicContact CB-CB 4.33Å; N148-V151 HydrophobicContact CB-CG2 4.47Å; N148-V151 WeakPolarHBondContact ND2-CG2 3.42Å; N148-V151 PolarHBondContact O-N 3.37Å; N148-V152 PolarHBondContact O-N 3.32Å | ||
| 149 | T | 90.3 | Very high | 93.8 | Very high | 95 Ų | 95 | 45.9 Ų | 45.9 | 58% | 0.583 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -9.7 | -178.1 | 57.5 | 0 | 0 | 0 | 0 | 114 | L147 | L147-T149 HydrophobicContact CD2-CG2 4.09Å; L147-T149 HydrophobicContact CG-CG2 4.29Å; L147-T149 PolarHBondContact O-N 3.06Å |
| 150 | S | 88.2 | Confident | 93.8 | Very high | 104 Ų | 104 | 46.6 Ų | 46.6 | 73% | 0.727 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -20.5 | 172.3 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | N148 | N148-S150 PolarHBondContact O-N 2.77Å; N148-S150 VanDerWaalsContact O-N 3.13Å; N148-S150 WeakPolarHBondContact OD1-CB 3.47Å; N148-S150 PolarHBondContact OD1-N 2.69Å |
| 151 | V | 88.6 | Confident | 93.7 | Very high | 41 Ų | 41 | 38.2 Ų | 38.2 | 25% | 0.248 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -44.8 | -179.2 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | N148 N234 F236 | N148-V151 HydrophobicContact CB-CB 4.33Å; N148-V151 HydrophobicContact CB-CG2 4.47Å; N148-V151 WeakPolarHBondContact ND2-CG2 3.42Å; N148-V151 PolarHBondContact O-N 3.37Å; V151-N234 WeakPolarHBondContact O-CB 3.44Å; V151-N234 PolarHBondContact O-ND2 2.71Å; V151-F236 HydrophobicContact CG1-CE2 4.3Å; V151-F236 HydrophobicContact CG1-CZ 4.12Å |
| 152 | V | 93.1 | Very high | 93.6 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -85 | 122.4 | 179.7 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | F127 L147 N148 E233 | F127-V152 HydrophobicContact CE1-CG1 4.1Å; F127-V152 HydrophobicContact CZ-CG1 4.32Å; L147-V152 HydrophobicContact CD1-CB 3.82Å; L147-V152 HydrophobicContact CD1-CG1 4Å; L147-V152 HydrophobicContact CD1-CG2 3.62Å; N148-V152 PolarHBondContact O-N 3.32Å; V152-E233 HydrophobicContact CG1-CB 4.28Å; V152-E233 HydrophobicContact CG2-CB 4.31Å; V152-E233 WeakPolarHBondContact CG2-OE2 3.14Å |
| 153 | L | 94.9 | Very high | 93.2 | Very high | 25 Ų | 25 | 40.1 Ų | 40.1 | 13% | 0.131 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 145.4 | 176 | -70.7 | 176.5 | 0 | 0 | 0 | 111.2 | F127 D157 L158 L161 E233 N234 | F127-L153 WeakPolarHBondContact CE1-O 3.4Å; L153-D157 HydrophobicContact CB-CB 4.09Å; L153-D157 HydrophobicContact CD1-CB 4.47Å; L153-D157 HydrophobicContact CD2-CB 4.25Å; L153-L158 HydrophobicContact CB-CD2 3.83Å; L153-L158 HydrophobicContact CB-CG 3.81Å; L153-L158 HydrophobicContact CD1-CD2 4.44Å; L153-L158 WeakPolarHBondContact O-CD1 3.45Å; L153-L161 HydrophobicContact CD1-CB 4.35Å; L153-L161 HydrophobicContact CD1-CD2 3.79Å; L153-E233 PolarHBondContact N-O 2.84Å; L153-E233 VanDerWaalsContact N-O 3.1Å; L153-N234 HydrophobicContact CG-CB 4.29Å |
| 154 | P | 94.8 | Very high | 92.8 | Very high | 59 Ų | 59 | 44.7 Ų | 44.7 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 162.6 | 173.1 | 29.5 | -35.3 | 0 | 0 | 0 | 111.4 | Q156 D157 L158 | P154-Q156 VanDerWaalsContact C-N 3.33Å; P154-Q156 PolarHBondContact O-N 2.82Å; P154-D157 WeakPolarHBondContact CD-OD2 3.31Å; P154-D157 HydrophobicContact CG-CB 3.84Å; P154-D157 VanDerWaalsContact CG-CG 3.46Å; P154-D157 VanDerWaalsContact CG-OD2 3.31Å; P154-D157 WeakPolarHBondContact CG-OD2 3.42Å; P154-D157 PolarHBondContact O-N 2.98Å; P154-D157 VanDerWaalsContact O-N 3.13Å; P154-L158 PolarHBondContact O-N 2.92Å |
| 155 | P | 94 | Very high | 92.5 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -53 | -41.4 | -173.9 | -30 | 34.8 | 0 | 0 | 0 | 115.6 | I101 F127 L158 I159 | I101-P155 HydrophobicContact CG2-CB 4.19Å; F127-P155 HydrophobicContact CD1-CG 4.39Å; F127-P155 HydrophobicContact CD2-CG 3.57Å; F127-P155 HydrophobicContact CE1-CG 4.44Å; F127-P155 HydrophobicContact CE2-CG 3.63Å; F127-P155 HydrophobicContact CG-CG 3.97Å; F127-P155 HydrophobicContact CZ-CG 4.08Å; P155-L158 PolarHBondContact O-N 2.86Å; P155-I159 VanDerWaalsContact O-CG1 3.29Å; P155-I159 WeakPolarHBondContact O-CG1 3.45Å; P155-I159 PolarHBondContact O-N 3.45Å |
| 156 | Q | 93.4 | Very high | 91.8 | Very high | 111 Ų | 111 | 50.8 Ų | 50.8 | 52% | 0.519 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.3 | -46 | 179.8 | -61.4 | -59.8 | -33.3 | 0 | 0 | 111.2 | P154 L158 I159 D160 | P154-Q156 VanDerWaalsContact C-N 3.33Å; P154-Q156 PolarHBondContact O-N 2.82Å; Q156-L158 VanDerWaalsContact C-N 3.29Å; Q156-L158 PolarHBondContact O-N 3.02Å; Q156-I159 WeakPolarHBondContact O-CB 3.48Å; Q156-I159 PolarHBondContact O-N 3.27Å; Q156-I159 VanDerWaalsContact O-N 3.1Å; Q156-D160 PolarHBondContact O-N 3.38Å |
| 157 | D | 94.2 | Very high | 90.8 | Very high | 77 Ų | 77 | 52.8 Ų | 52.8 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.6 | -32.6 | 177.4 | -62.2 | 9.6 | 0 | 0 | 0 | 112.1 | L153 P154 D160 L161 | L153-D157 HydrophobicContact CB-CB 4.09Å; L153-D157 HydrophobicContact CD1-CB 4.47Å; L153-D157 HydrophobicContact CD2-CB 4.25Å; P154-D157 WeakPolarHBondContact CD-OD2 3.31Å; P154-D157 HydrophobicContact CG-CB 3.84Å; P154-D157 VanDerWaalsContact CG-CG 3.46Å; P154-D157 VanDerWaalsContact CG-OD2 3.31Å; P154-D157 WeakPolarHBondContact CG-OD2 3.42Å; P154-D157 PolarHBondContact O-N 2.98Å; P154-D157 VanDerWaalsContact O-N 3.13Å; D157-D160 PolarHBondContact O-N 2.93Å; D157-L161 VanDerWaalsContact O-CB 3.31Å; D157-L161 WeakPolarHBondContact O-CB 3.37Å; D157-L161 PolarHBondContact O-N 2.81Å |
| 158 | L | 93.1 | Very high | 89.9 | Confident | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 170.8 | -76.1 | 173.1 | 0 | 0 | 0 | 111 | I101 A106 F127 L153 P154 P155 Q156 D160 L161 F162 | I101-L158 HydrophobicContact CD1-CB 3.83Å; A106-L158 HydrophobicContact CB-CD1 4.12Å; F127-L158 HydrophobicContact CZ-CD1 3.94Å; L153-L158 HydrophobicContact CB-CD2 3.83Å; L153-L158 HydrophobicContact CB-CG 3.81Å; L153-L158 HydrophobicContact CD1-CD2 4.44Å; L153-L158 WeakPolarHBondContact O-CD1 3.45Å; P154-L158 PolarHBondContact O-N 2.92Å; P155-L158 PolarHBondContact O-N 2.86Å; Q156-L158 VanDerWaalsContact C-N 3.29Å; Q156-L158 PolarHBondContact O-N 3.02Å; L158-D160 VanDerWaalsContact C-N 3.3Å; L158-D160 PolarHBondContact O-N 3.03Å; L158-L161 PolarHBondContact O-N 3.44Å; L158-F162 HydrophobicContact CD2-CE2 4.47Å; L158-F162 VanDerWaalsContact O-CD2 3.32Å; L158-F162 WeakPolarHBondContact O-CD2 3.32Å; L158-F162 PolarHBondContact O-N 3.1Å |
| 159 | I | 92.4 | Very high | 88.7 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 176.4 | -69.2 | 163.4 | 0 | 0 | 0 | 110.5 | Y72 I101 P155 Q156 F162 S163 | Y72-I159 HydrophobicContact CE1-CG2 4.16Å; Y72-I159 HydrophobicContact CE2-CG1 4.18Å; I101-I159 HydrophobicContact CB-CG1 4.21Å; I101-I159 HydrophobicContact CD1-CG1 4Å; I101-I159 HydrophobicContact CG2-CD1 4.12Å; I101-I159 HydrophobicContact CG2-CG1 3.87Å; P155-I159 VanDerWaalsContact O-CG1 3.29Å; P155-I159 WeakPolarHBondContact O-CG1 3.45Å; P155-I159 PolarHBondContact O-N 3.45Å; Q156-I159 WeakPolarHBondContact O-CB 3.48Å; Q156-I159 PolarHBondContact O-N 3.27Å; Q156-I159 VanDerWaalsContact O-N 3.1Å; I159-F162 PolarHBondContact O-N 3.41Å; I159-S163 VanDerWaalsContact O-CB 3.3Å; I159-S163 WeakPolarHBondContact O-CB 3.45Å; I159-S163 PolarHBondContact O-N 3.41Å; I159-S163 PolarHBondContact O-OG 2.9Å |
| 160 | D | 92.4 | Very high | 88.1 | Confident | 92 Ų | 92 | 57.9 Ų | 57.9 | 49% | 0.492 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 178.1 | -73.4 | -14.4 | 0 | 0 | 0 | 111.7 | Q156 D157 L158 S163 Q164 | Q156-D160 PolarHBondContact O-N 3.38Å; D157-D160 PolarHBondContact O-N 2.93Å; L158-D160 VanDerWaalsContact C-N 3.3Å; L158-D160 PolarHBondContact O-N 3.03Å; D160-S163 PolarHBondContact O-N 3.24Å; D160-Q164 WeakPolarHBondContact O-CG 3.48Å; D160-Q164 PolarHBondContact O-N 3.29Å |
| 161 | L | 92.1 | Very high | 87.9 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.3 | -53.2 | 176.1 | 176.1 | 62.8 | 0 | 0 | 0 | 111 | M76 L153 D157 L158 S163 Q164 L165 K235 | M76-L161 HydrophobicContact CE-CD1 3.78Å; M76-L161 HydrophobicContact CE-CD2 4.05Å; M76-L161 HydrophobicContact CE-CG 4.25Å; L153-L161 HydrophobicContact CD1-CB 4.35Å; L153-L161 HydrophobicContact CD1-CD2 3.79Å; D157-L161 VanDerWaalsContact O-CB 3.31Å; D157-L161 WeakPolarHBondContact O-CB 3.37Å; D157-L161 PolarHBondContact O-N 2.81Å; L158-L161 PolarHBondContact O-N 3.44Å; L161-S163 VanDerWaalsContact C-N 3.26Å; L161-S163 PolarHBondContact O-N 3.46Å; L161-Q164 WeakPolarHBondContact O-CB 3.32Å; L161-Q164 PolarHBondContact O-N 2.98Å; L161-L165 HydrophobicContact CD1-CG 4.41Å; L161-L165 HydrophobicContact CG-CD1 4.19Å; L161-L165 HydrophobicContact CG-CG 4.49Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 2.92Å; L161-K235 HydrophobicContact CD1-CG 4.02Å |
| 162 | F | 91 | Very high | 87.9 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.9 | -33 | -179.3 | -86.8 | -88.6 | 0 | 0 | 0 | 112.3 | Y72 V99 I101 L158 I159 Q164 L165 M166 F232 | Y72-F162 HydrophobicContact CD1-CB 4.02Å; Y72-F162 HydrophobicContact CG-CB 4.1Å; V99-F162 HydrophobicContact CB-CE1 4.23Å; V99-F162 HydrophobicContact CB-CE2 4.19Å; V99-F162 HydrophobicContact CB-CZ 3.93Å; V99-F162 HydrophobicContact CG2-CE1 3.65Å; V99-F162 HydrophobicContact CG2-CE2 3.76Å; V99-F162 HydrophobicContact CG2-CZ 3.15Å; I101-F162 HydrophobicContact CD1-CD2 4.19Å; L158-F162 HydrophobicContact CD2-CE2 4.47Å; L158-F162 VanDerWaalsContact O-CD2 3.32Å; L158-F162 WeakPolarHBondContact O-CD2 3.32Å; L158-F162 PolarHBondContact O-N 3.1Å; I159-F162 PolarHBondContact O-N 3.41Å; F162-Q164 VanDerWaalsContact C-N 3.3Å; F162-Q164 PolarHBondContact O-N 2.97Å; F162-L165 HydrophobicContact CD1-CD1 4.31Å; F162-L165 HydrophobicContact CE1-CD1 4.44Å; F162-L165 PolarHBondContact O-N 3.41Å; F162-M166 WeakPolarHBondContact O-CG 3.32Å; F162-M166 PolarHBondContact O-N 3.42Å; F162-M166 VanDerWaalsContact O-N 3.13Å; F162-F232 AromaticContact CE1-CE2 3.65Å; F162-F232 HydrophobicContact CE1-CE2 3.65Å; F162-F232 HydrophobicContact CE1-CZ 4.09Å; F162-F232 HydrophobicContact CE2-CE2 4.16Å; F162-F232 HydrophobicContact CZ-CD2 4.07Å; F162-F232 AromaticContact CZ-CE2 3.35Å; F162-F232 HydrophobicContact CZ-CE2 3.35Å; F162-F232 HydrophobicContact CZ-CZ 4.11Å |
| 163 | S | 89.6 | Confident | 87.7 | Confident | 52 Ų | 52 | 65.4 Ų | 65.4 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 172.6 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | I159 D160 L161 | I159-S163 VanDerWaalsContact O-CB 3.3Å; I159-S163 WeakPolarHBondContact O-CB 3.45Å; I159-S163 PolarHBondContact O-N 3.41Å; I159-S163 PolarHBondContact O-OG 2.9Å; D160-S163 PolarHBondContact O-N 3.24Å; L161-S163 VanDerWaalsContact C-N 3.26Å; L161-S163 PolarHBondContact O-N 3.46Å |
| 164 | Q | 89.5 | Confident | 87.4 | Confident | 102 Ų | 102 | 65.3 Ų | 65.3 | 48% | 0.477 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.7 | -43.2 | 174 | -69 | 168.5 | 15 | 0 | 0 | 111.7 | D160 L161 F162 M166 S167 D168 | D160-Q164 WeakPolarHBondContact O-CG 3.48Å; D160-Q164 PolarHBondContact O-N 3.29Å; L161-Q164 WeakPolarHBondContact O-CB 3.32Å; L161-Q164 PolarHBondContact O-N 2.98Å; F162-Q164 VanDerWaalsContact C-N 3.3Å; F162-Q164 PolarHBondContact O-N 2.97Å; Q164-M166 PolarHBondContact O-N 3.37Å; Q164-S167 PolarHBondContact O-N 3.48Å; Q164-S167 PolarHBondContact O-OG 3.03Å; Q164-D168 PolarHBondContact O-N 2.86Å |
| 165 | L | 89.6 | Confident | 87.2 | Confident | 12 Ų | 12 | 64.8 Ų | 64.8 | 6% | 0.063 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.7 | -26.1 | 179.4 | -66.2 | 174.7 | 0 | 0 | 0 | 113.8 | M76 L161 F162 S167 Y170 F232 | M76-L165 HydrophobicContact CE-CD1 3.9Å; M76-L165 HydrophobicContact CE-CD2 3.77Å; M76-L165 HydrophobicContact CE-CG 4.3Å; M76-L165 HydrophobicContact CG-CD1 4.28Å; M76-L165 HydrophobicContact CG-CD2 3.75Å; L161-L165 HydrophobicContact CD1-CG 4.41Å; L161-L165 HydrophobicContact CG-CD1 4.19Å; L161-L165 HydrophobicContact CG-CG 4.49Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 2.92Å; F162-L165 HydrophobicContact CD1-CD1 4.31Å; F162-L165 HydrophobicContact CE1-CD1 4.44Å; F162-L165 PolarHBondContact O-N 3.41Å; L165-S167 PolarHBondContact O-N 2.91Å; L165-Y170 HydrophobicContact CD2-CG 4.11Å; L165-F232 HydrophobicContact CD1-CD2 4.22Å; L165-F232 HydrophobicContact CD1-CE2 3.5Å; L165-F232 HydrophobicContact CD1-CZ 4.17Å |
| 166 | M | 81.6 | Confident | 87 | Confident | 122 Ų | 122 | 69.3 Ų | 69.3 | 60% | 0.601 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -24 | 174.2 | -74.4 | -167.3 | -71.2 | 0 | 0 | 112.9 | F162 Q164 | F162-M166 WeakPolarHBondContact O-CG 3.32Å; F162-M166 PolarHBondContact O-N 3.42Å; F162-M166 VanDerWaalsContact O-N 3.13Å; Q164-M166 PolarHBondContact O-N 3.37Å |
| 167 | S | 77.5 | Confident | 86.8 | Confident | 102 Ų | 102 | 65.5 Ų | 65.5 | 71% | 0.713 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -28.5 | -174.4 | 66.4 | 0 | 0 | 0 | 0 | 114.1 | Q164 L165 | Q164-S167 PolarHBondContact O-N 3.48Å; Q164-S167 PolarHBondContact O-OG 3.03Å; L165-S167 PolarHBondContact O-N 2.91Å |
| 168 | D | 74.1 | Confident | 86.7 | Confident | 115 Ų | 115 | 64.6 Ų | 64.6 | 62% | 0.615 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -141.9 | 152.4 | -171.1 | -161 | 6.7 | 0 | 0 | 0 | 112.5 | Q164 Y170 | Q164-D168 PolarHBondContact O-N 2.86Å; D168-Y170 PolarHBondContact O-N 3.05Å |
| 169 | S | 68.9 | Low | 86.6 | Confident | 72 Ų | 72 | 64.4 Ų | 64.4 | 50% | 0.503 | 32% | 0.322 | S | S | . | . | trans | -80.7 | 107.5 | 173.9 | 62.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 170 | Y | 78.1 | Confident | 86.6 | Confident | 78 Ų | 78 | 64 Ų | 64 | 31% | 0.306 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 125.7 | 179.9 | -159.3 | -91 | 0 | 0 | 0 | 111.3 | M76 Q77 L165 D168 K235 | M76-Y170 HydrophobicContact CE-CD1 3.9Å; M76-Y170 HydrophobicContact CE-CE1 4.41Å; M76-Y170 HydrophobicContact CE-CG 4.33Å; M76-Y170 HydrophobicContact SD-CD1 4.14Å; Q77-Y170 PolarHBondContact N-O 3.37Å; L165-Y170 HydrophobicContact CD2-CG 4.11Å; D168-Y170 PolarHBondContact O-N 3.05Å; Y170-K235 HydrophobicContact CE1-CB 4.09Å; Y170-K235 VanDerWaalsContact CE1-O 3.28Å; Y170-K235 WeakPolarHBondContact CE1-O 3.4Å |
| 171 | R | 83.6 | Confident | 86.7 | Confident | 174 Ų | 174 | 60.3 Ų | 60.3 | 66% | 0.657 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 123 | 174.5 | -65.6 | 176 | 80.8 | 167.7 | 4.7 | 109.5 | Q77 L92 | Q77-R171 HydrophobicContact CB-CG 4.42Å; Q77-R171 CarbonylContact O-C 3.6Å; Q77-R171 WeakPolarHBondContact O-CA 3.01Å; L92-R171 HydrophobicContact CD1-CG 4.34Å; L92-R171 VanDerWaalsContact CD1-NE 3.26Å |
| 172 | S | 88.4 | Confident | 86.7 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | -169.9 | -176.9 | 69.7 | 0 | 0 | 0 | 0 | 112 | Q77 F78 T79 K235 | Q77-S172 PolarHBondContact O-N 2.87Å; Q77-S172 PolarHBondContact O-OG 3.44Å; F78-S172 CarbonylContact C-O 3.56Å; F78-S172 WeakPolarHBondContact CA-O 3.41Å; T79-S172 PolarHBondContact N-O 2.85Å; T79-S172 PolarHBondContact OG1-O 3.19Å; S172-K235 VanDerWaalsContact CB-O 3.29Å; S172-K235 WeakPolarHBondContact CB-O 3.06Å |
| 173 | Y | 88.8 | Confident | 86.8 | Confident | 125 Ų | 125 | 67.8 Ų | 67.8 | 49% | 0.49 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 162.2 | 176.6 | 57.4 | -85.6 | 0 | 0 | 0 | 110.3 | V175 F236 V237 | Y173-V175 HydrophobicContact CD2-CG2 3.75Å; Y173-V175 HydrophobicContact CE2-CG2 3.36Å; Y173-F236 HydrophobicContact CD1-CB 4.42Å; Y173-F236 HydrophobicContact CD2-CB 4.35Å; Y173-F236 HydrophobicContact CE1-CB 4.13Å; Y173-F236 HydrophobicContact CE2-CB 4.08Å; Y173-F236 HydrophobicContact CE2-CD1 4.5Å; Y173-F236 HydrophobicContact CE2-CG 4.25Å; Y173-V237 PolarHBondContact O-N 3.36Å |
| 174 | L | 88.9 | Confident | 87.1 | Confident | 24 Ų | 24 | 72 Ų | 72 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 127.7 | 175.2 | -172.1 | 66.1 | 0 | 0 | 0 | 111.5 | F78 T79 D80 V237 E239 | F78-L174 HydrophobicContact CD2-CB 3.86Å; F78-L174 HydrophobicContact CD2-CD1 4.13Å; F78-L174 HydrophobicContact CD2-CG 4.46Å; F78-L174 HydrophobicContact CE2-CB 4.16Å; F78-L174 HydrophobicContact CE2-CD1 3.89Å; F78-L174 HydrophobicContact CE2-CD2 4.2Å; F78-L174 HydrophobicContact CE2-CG 4.31Å; F78-L174 HydrophobicContact CZ-CD1 4.47Å; T79-L174 PolarHBondContact O-N 3.48Å; T79-L174 VanDerWaalsContact O-N 3.12Å; D80-L174 HydrophobicContact CB-CD2 4.15Å; L174-V237 CarbonylContact C-O 3.49Å; L174-V237 WeakPolarHBondContact CA-O 3.31Å; L174-V237 HydrophobicContact CD1-CB 4.3Å; L174-V237 HydrophobicContact CD1-CG1 3.86Å; L174-E239 HydrophobicContact CD1-CB 3.9Å; L174-E239 HydrophobicContact CG-CB 4.49Å |
| 175 | V | 90 | Very high | 87.4 | Confident | 48 Ų | 48 | 68.3 Ų | 68.3 | 29% | 0.291 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 137.3 | 167.5 | 178.6 | 0 | 0 | 0 | 0 | 108.7 | Y173 F236 V237 T238 E239 | Y173-V175 HydrophobicContact CD2-CG2 3.75Å; Y173-V175 HydrophobicContact CE2-CG2 3.36Å; V175-F236 HydrophobicContact CB-CD2 3.88Å; V175-F236 HydrophobicContact CB-CE2 4.03Å; V175-F236 HydrophobicContact CG1-CE2 4.41Å; V175-F236 HydrophobicContact CG2-CB 4.45Å; V175-F236 HydrophobicContact CG2-CD2 3.44Å; V175-F236 VanDerWaalsContact CG2-CD2 3.44Å; V175-F236 HydrophobicContact CG2-CE2 3.78Å; V175-F236 HydrophobicContact CG2-CG 3.97Å; V175-V237 PolarHBondContact N-O 3.04Å; V175-T238 CarbonylContact O-C 3.55Å; V175-T238 VanDerWaalsContact O-CA 3.3Å; V175-T238 WeakPolarHBondContact O-CA 3.31Å; V175-E239 PolarHBondContact O-N 2.94Å |
| 176 | R | 89.8 | Confident | 87.7 | Confident | 109 Ų | 109 | 76.7 Ų | 76.7 | 41% | 0.411 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 135.5 | 175.9 | -63 | -167 | -175.4 | 97 | 10.5 | 110.9 | D80 S82 E239 | D80-R176 IonicContact OD1-CZ 3.76Å; D80-R176 IonicContact OD1-NH2 3.36Å; D80-R176 PolarHBondContact OD1-NH2 3.28Å; D80-R176 IonicContact OD2-NH2 2.99Å; D80-R176 PolarHBondContact OD2-NH2 2.87Å; S82-R176 PolarHBondContact OG-NH1 3.14Å; R176-E239 WeakPolarHBondContact CA-O 3.29Å; R176-E239 VanDerWaalsContact CD-OE2 3.29Å; R176-E239 WeakPolarHBondContact CD-OE2 3.44Å; R176-E239 HydrophobicContact CG-CB 4.34Å; R176-E239 IonicContact NE-OE2 2.9Å; R176-E239 PolarHBondContact NE-OE2 2.93Å |
| 177 | E | 90 | Very high | 88.3 | Confident | 30 Ų | 30 | 74.9 Ų | 74.9 | 14% | 0.14 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 121.7 | 173.2 | -172.3 | 175.9 | -148.4 | 0 | 0 | 109.8 | L179 R209 T238 E239 T240 R241 | E177-L179 HydrophobicContact CG-CD2 3.84Å; E177-L179 HydrophobicContact CG-CG 4.21Å; E177-R209 IonicContact OE1-CZ 3.84Å; E177-R209 VanDerWaalsContact OE1-CZ 3.25Å; E177-R209 IonicContact OE1-NE 3.13Å; E177-R209 PolarHBondContact OE1-NE 3.28Å; E177-R209 IonicContact OE1-NH2 3.58Å; E177-R209 PolarHBondContact OE1-NH2 2.91Å; E177-T238 HydrophobicContact CB-CG2 4.42Å; E177-E239 PolarHBondContact N-O 3.35Å; E177-T240 WeakPolarHBondContact O-CA 3.24Å; E177-R241 PolarHBondContact O-N 2.77Å |
| 178 | D | 91.1 | Very high | 89.2 | Confident | 59 Ų | 59 | 70.7 Ų | 70.7 | 32% | 0.316 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 116.6 | 176.3 | -71.5 | -38.6 | 0 | 0 | 0 | 110.5 | R210 | D178-R210 HydrophobicContact CB-CB 4Å; D178-R210 PolarHBondContact O-N 2.84Å |
| 179 | L | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 145.3 | 178.4 | -58.4 | -173.9 | 0 | 0 | 0 | 110.8 | I145 E177 M207 Q208 R209 T240 R241 I242 C243 | I145-L179 HydrophobicContact CD1-CD1 3.89Å; I145-L179 HydrophobicContact CD1-CD2 3.41Å; I145-L179 VanDerWaalsContact CD1-CD2 3.41Å; I145-L179 HydrophobicContact CD1-CG 4.28Å; E177-L179 HydrophobicContact CG-CD2 3.84Å; E177-L179 HydrophobicContact CG-CG 4.21Å; L179-M207 HydrophobicContact CB-SD 4.22Å; L179-M207 HydrophobicContact CD1-CE 3.87Å; L179-M207 HydrophobicContact CD1-SD 4.16Å; L179-Q208 WeakPolarHBondContact CA-O 3.3Å; L179-R209 HydrophobicContact CD2-CB 4.38Å; L179-R209 HydrophobicContact CD2-CG 3.74Å; L179-T240 HydrophobicContact CD1-CG2 3.48Å; L179-T240 VanDerWaalsContact CD1-CG2 3.48Å; L179-T240 HydrophobicContact CG-CG2 3.94Å; L179-R241 PolarHBondContact N-O 2.98Å; L179-I242 HydrophobicContact CB-CG1 4.01Å; L179-I242 HydrophobicContact CD1-CG1 4.12Å; L179-C243 PolarHBondContact O-N 3.46Å |
| 180 | V | 92.4 | Very high | 91.5 | Very high | 13 Ų | 13 | 72.8 Ų | 72.8 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130.3 | 178.7 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | M207 Q208 R210 L213 C243 A245 | V180-M207 VanDerWaalsContact O-CA 3.3Å; V180-M207 WeakPolarHBondContact O-CA 3.33Å; V180-Q208 PolarHBondContact N-O 2.85Å; V180-Q208 PolarHBondContact O-N 3.3Å; V180-R210 HydrophobicContact CG2-CB 4.01Å; V180-R210 HydrophobicContact CG2-CG 4.2Å; V180-L213 HydrophobicContact CB-CD1 3.8Å; V180-L213 HydrophobicContact CG1-CD1 4.05Å; V180-L213 HydrophobicContact CG2-CD1 4.04Å; V180-C243 WeakPolarHBondContact CA-O 3.22Å; V180-A245 HydrophobicContact CG1-CB 3.9Å |
| 181 | V | 93.8 | Very high | 92.3 | Very high | 14 Ų | 14 | 70.3 Ų | 70.3 | 9% | 0.085 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 134 | 175.7 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | F143 Y205 M207 I242 C243 A245 | F143-V181 HydrophobicContact CD1-CG2 3.89Å; F143-V181 HydrophobicContact CE1-CG2 3.75Å; V181-Y205 HydrophobicContact CG1-CD1 4.21Å; V181-Y205 HydrophobicContact CG1-CG 4.04Å; V181-M207 HydrophobicContact CG2-CG 4.32Å; V181-I242 HydrophobicContact CG2-CG2 3.77Å; V181-C243 PolarHBondContact N-O 3.4Å; V181-A245 VanDerWaalsContact O-CB 3.24Å; V181-A245 WeakPolarHBondContact O-CB 3.42Å |
| 182 | T | 91.8 | Very high | 92.8 | Very high | 57 Ų | 57 | 62.3 Ų | 62.3 | 35% | 0.35 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | -89.9 | -176 | 58.6 | 0 | 0 | 0 | 0 | 112.5 | R206 Q208 | T182-R206 PolarHBondContact N-O 2.93Å; T182-R206 PolarHBondContact OG1-O 3.45Å; T182-Q208 HydrophobicContact CG2-CB 4.17Å; T182-Q208 HydrophobicContact CG2-CG 3.91Å |
| 183 | E | 93.4 | Very high | 93.1 | Very high | 104 Ų | 104 | 68.5 Ų | 68.5 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 149.9 | -173.3 | 57.7 | -178.6 | -174.4 | 0 | 0 | 111.5 | Y205 R206 | E183-Y205 CarbonylContact O-C 3.58Å; E183-Y205 WeakPolarHBondContact O-CA 3.33Å; E183-R206 HydrophobicContact CG-CB 3.53Å; E183-R206 HydrophobicContact CG-CG 4.37Å; E183-R206 PolarHBondContact O-N 3.31Å; E183-R206 WeakPolarHBondContact OE1-CD 3.16Å; E183-R206 IonicContact OE1-NE 2.93Å; E183-R206 IonicContact OE1-NH1 2.69Å |
| 184 | R | 95.6 | Very high | 93.4 | Very high | 141 Ų | 141 | 66.5 Ų | 66.5 | 53% | 0.532 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 139.1 | 169.3 | -170.7 | 179.5 | -174.3 | 156.3 | 13.8 | 109.5 | E203 Y205 | R184-E203 IonicContact CZ-OE1 3.65Å; R184-E203 IonicContact NH1-OE1 2.9Å; R184-E203 IonicContact NH2-OE1 2.86Å; R184-E203 PolarHBondContact NH2-OE1 3.38Å; R184-Y205 HydrophobicContact CB-CD1 3.86Å; R184-Y205 HydrophobicContact CB-CE1 3.81Å; R184-Y205 HydrophobicContact CG-CD1 4.08Å; R184-Y205 HydrophobicContact CG-CE1 3.79Å |
| 185 | I | 96.6 | Very high | 93.8 | Very high | 24 Ų | 24 | 65.3 Ų | 65.3 | 12% | 0.123 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -102.9 | 116.5 | 174 | -58.1 | 176.6 | 0 | 0 | 0 | 107.9 | V144 D187 V188 L191 T204 R206 | V144-I185 HydrophobicContact CB-CD1 4.17Å; V144-I185 HydrophobicContact CG2-CD1 4.19Å; I185-D187 WeakPolarHBondContact CG2-O 3.3Å; I185-V188 HydrophobicContact CG2-CG1 4.4Å; I185-L191 HydrophobicContact CD1-CD1 4.22Å; I185-L191 HydrophobicContact CG2-CD1 4.35Å; I185-T204 HydrophobicContact CB-CG2 4.14Å; I185-T204 HydrophobicContact CD1-CG2 4.23Å; I185-T204 PolarHBondContact N-O 2.94Å; I185-R206 HydrophobicContact CD1-CB 4.2Å; I185-R206 HydrophobicContact CG1-CB 4.43Å |
| 186 | E | 94.6 | Very high | 94.1 | Very high | 188 Ų | 188 | 65.4 Ų | 65.4 | 88% | 0.879 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -81.9 | -45.8 | 179.1 | -63.1 | -175.1 | 176.1 | 0 | 0 | 112.2 | ||
| 187 | D | 95.2 | Very high | 94.4 | Very high | 85 Ų | 85 | 69.3 Ų | 69.3 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | trans | -106 | 112.3 | 177.9 | -171.8 | 11.1 | 0 | 0 | 0 | 111.2 | I185 K189 P190 | I185-D187 WeakPolarHBondContact CG2-O 3.3Å; D187-K189 VanDerWaalsContact OD1-CB 3.3Å; D187-K189 WeakPolarHBondContact OD1-CB 3.29Å; D187-K189 WeakPolarHBondContact OD1-CG 3.45Å; D187-K189 PolarHBondContact OD1-N 3.04Å; D187-P190 WeakPolarHBondContact O-CD 3.23Å | ||
| 188 | V | 96.1 | Very high | 94.7 | Very high | 14 Ų | 14 | 69.8 Ų | 69.8 | 9% | 0.085 | 33% | 0.328 | C | S | . | . | trans | -87.6 | -13.1 | 178.4 | -66.2 | 0 | 0 | 0 | 0 | 113.2 | I185 P190 L191 T204 | I185-V188 HydrophobicContact CG2-CG1 4.4Å; V188-P190 VanDerWaalsContact C-CD 3.45Å; V188-L191 HydrophobicContact CB-CD1 4.32Å; V188-L191 HydrophobicContact CG1-CD1 4.32Å; V188-L191 WeakPolarHBondContact O-CB 3.24Å; V188-L191 PolarHBondContact O-N 3.34Å; V188-L191 VanDerWaalsContact O-N 3.13Å; V188-T204 HydrophobicContact CG1-CG2 3.95Å; V188-T204 WeakPolarHBondContact CG1-OG1 3.29Å | ||
| 189 | K | 95.1 | Very high | 95 | Very high | 142 Ų | 142 | 67 Ų | 67 | 62% | 0.617 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -57.5 | -41.7 | -178.8 | -65 | 168.7 | -176 | 172.7 | 0 | 113.5 | D187 L191 G192 H196 | D187-K189 VanDerWaalsContact OD1-CB 3.3Å; D187-K189 WeakPolarHBondContact OD1-CB 3.29Å; D187-K189 WeakPolarHBondContact OD1-CG 3.45Å; D187-K189 PolarHBondContact OD1-N 3.04Å; K189-L191 PolarHBondContact O-N 3.33Å; K189-G192 PolarHBondContact O-N 2.9Å; K189-H196 WeakPolarHBondContact CG-CD2 3.39Å |
| 190 | P | 95.6 | Very high | 95.2 | Very high | 89 Ų | 89 | 72 Ų | 72 | 58% | 0.578 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -66.5 | -18.5 | -179.4 | -20.9 | 34.5 | 0 | 0 | 0 | 113.6 | D187 V188 G192 | D187-P190 WeakPolarHBondContact O-CD 3.23Å; V188-P190 VanDerWaalsContact C-CD 3.45Å; P190-G192 VanDerWaalsContact C-N 3.25Å; P190-G192 PolarHBondContact O-N 3.36Å |
| 191 | L | 95.1 | Very high | 95.3 | Very high | 25 Ų | 25 | 75.2 Ų | 75.2 | 13% | 0.131 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -70.6 | -23.8 | -178.2 | -56.8 | -179.2 | 0 | 0 | 0 | 112.4 | L131 V144 I185 V188 K189 I195 | L131-L191 HydrophobicContact CD1-CB 4.44Å; L131-L191 HydrophobicContact CD1-CD2 4.31Å; V144-L191 HydrophobicContact CG1-CD1 4.49Å; V144-L191 HydrophobicContact CG2-CD1 4.07Å; I185-L191 HydrophobicContact CD1-CD1 4.22Å; I185-L191 HydrophobicContact CG2-CD1 4.35Å; V188-L191 HydrophobicContact CB-CD1 4.32Å; V188-L191 HydrophobicContact CG1-CD1 4.32Å; V188-L191 WeakPolarHBondContact O-CB 3.24Å; V188-L191 PolarHBondContact O-N 3.34Å; V188-L191 VanDerWaalsContact O-N 3.13Å; K189-L191 PolarHBondContact O-N 3.33Å; L191-I195 HydrophobicContact CB-CB 4.04Å; L191-I195 HydrophobicContact CB-CD1 4.1Å; L191-I195 HydrophobicContact CB-CG2 3.7Å; L191-I195 HydrophobicContact CD1-CG2 3.8Å; L191-I195 HydrophobicContact CG-CG2 4.43Å |
| 192 | G | 95.2 | Very high | 95.4 | Very high | 6 Ų | 6 | 77.3 Ų | 77.3 | 6% | 0.062 | 38% | 0.383 | C | S | . | . | trans | 127.1 | 164.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K189 P190 Y194 I195 H196 | K189-G192 PolarHBondContact O-N 2.9Å; P190-G192 VanDerWaalsContact C-N 3.25Å; P190-G192 PolarHBondContact O-N 3.36Å; G192-Y194 PolarHBondContact O-N 2.9Å; G192-I195 PolarHBondContact O-N 3.01Å; G192-H196 VanDerWaalsContact O-CB 3.26Å; G192-H196 WeakPolarHBondContact O-CB 3.45Å; G192-H196 PolarHBondContact O-N 3.48Å | ||
| 193 | F | 95 | Very high | 95.6 | Very high | 141 Ų | 141 | 78.6 Ų | 78.6 | 62% | 0.618 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.9 | -46.1 | -174.6 | 175.1 | -99.2 | 0 | 0 | 0 | 112.9 | R197 | F193-R197 WeakPolarHBondContact O-CB 3.22Å; F193-R197 PolarHBondContact O-N 3.31Å |
| 194 | Y | 95.3 | Very high | 95.8 | Very high | 83 Ų | 83 | 73.7 Ų | 73.7 | 33% | 0.325 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.2 | -44.4 | -178.2 | -59.2 | -62.5 | 0 | 0 | 0 | 111.7 | M105 G192 R197 L198 | M105-Y194 HydrophobicContact CB-CD2 4.34Å; M105-Y194 HydrophobicContact CB-CE2 4.35Å; M105-Y194 HydrophobicContact CG-CE1 4.34Å; M105-Y194 HydrophobicContact CG-CE2 4.42Å; G192-Y194 PolarHBondContact O-N 2.9Å; Y194-R197 PolarHBondContact O-N 2.96Å; Y194-L198 PolarHBondContact O-N 3.46Å; Y194-L198 VanDerWaalsContact O-N 3.09Å |
| 195 | I | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.4 | -47.7 | 179.1 | -62.2 | 179 | 0 | 0 | 0 | 110.7 | L124 D126 L131 V133 L191 G192 R197 L198 C199 | L124-I195 HydrophobicContact CD2-CG1 3.94Å; D126-I195 HydrophobicContact CB-CD1 4.46Å; L131-I195 HydrophobicContact CB-CD1 3.75Å; L131-I195 HydrophobicContact CD1-CD1 3.68Å; L131-I195 HydrophobicContact CG-CD1 4.37Å; V133-I195 HydrophobicContact CG2-CB 4.29Å; V133-I195 HydrophobicContact CG2-CD1 3.63Å; V133-I195 HydrophobicContact CG2-CG1 3.64Å; V133-I195 HydrophobicContact CG2-CG2 3.82Å; L191-I195 HydrophobicContact CB-CB 4.04Å; L191-I195 HydrophobicContact CB-CD1 4.1Å; L191-I195 HydrophobicContact CB-CG2 3.7Å; L191-I195 HydrophobicContact CD1-CG2 3.8Å; L191-I195 HydrophobicContact CG-CG2 4.43Å; G192-I195 PolarHBondContact O-N 3.01Å; I195-R197 VanDerWaalsContact C-N 3.31Å; I195-R197 PolarHBondContact O-N 3.13Å; I195-L198 PolarHBondContact O-N 2.97Å; I195-L198 VanDerWaalsContact O-N 3.14Å; I195-C199 WeakPolarHBondContact O-CB 3.31Å; I195-C199 PolarHBondContact O-N 3.07Å |
| 196 | H | 96.8 | Very high | 95.8 | Very high | 50 Ų | 50 | 72.3 Ų | 72.3 | 23% | 0.231 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -55 | -49 | 174.7 | 176.2 | -83.3 | 0 | 0 | 0 | 110.7 | K189 G192 L198 C199 D200 | K189-H196 WeakPolarHBondContact CG-CD2 3.39Å; G192-H196 VanDerWaalsContact O-CB 3.26Å; G192-H196 WeakPolarHBondContact O-CB 3.45Å; G192-H196 PolarHBondContact O-N 3.48Å; H196-L198 VanDerWaalsContact C-N 3.25Å; H196-L198 PolarHBondContact O-N 2.71Å; H196-C199 PolarHBondContact O-N 3.48Å; H196-D200 WeakPolarHBondContact O-CB 3.35Å; H196-D200 PolarHBondContact O-N 2.88Å |
| 197 | R | 95.7 | Very high | 95.8 | Very high | 191 Ų | 191 | 63.3 Ų | 63.3 | 72% | 0.721 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.3 | -34.5 | 179.6 | -175.8 | 176.6 | 179.3 | 172.2 | 1.4 | 113.3 | F193 Y194 I195 | F193-R197 WeakPolarHBondContact O-CB 3.22Å; F193-R197 PolarHBondContact O-N 3.31Å; Y194-R197 PolarHBondContact O-N 2.96Å; I195-R197 VanDerWaalsContact C-N 3.31Å; I195-R197 PolarHBondContact O-N 3.13Å |
| 198 | L | 96 | Very high | 95.7 | Very high | 40 Ų | 40 | 63 Ų | 63 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -78.7 | -38.4 | 179.8 | -174.5 | 63.1 | 0 | 0 | 0 | 112.6 | L124 V133 L135 Y194 I195 H196 K202 | L124-L198 HydrophobicContact CB-CD2 3.72Å; L124-L198 HydrophobicContact CD2-CB 4.4Å; L124-L198 HydrophobicContact CD2-CD2 3.99Å; V133-L198 HydrophobicContact CG1-CD2 4.34Å; L135-L198 HydrophobicContact CB-CD2 4.34Å; L135-L198 HydrophobicContact CB-CG 4.44Å; L135-L198 HydrophobicContact CD2-CD1 3.65Å; L135-L198 HydrophobicContact CD2-CG 4.03Å; Y194-L198 PolarHBondContact O-N 3.46Å; Y194-L198 VanDerWaalsContact O-N 3.09Å; I195-L198 PolarHBondContact O-N 2.97Å; I195-L198 VanDerWaalsContact O-N 3.14Å; H196-L198 VanDerWaalsContact C-N 3.25Å; H196-L198 PolarHBondContact O-N 2.71Å; L198-K202 WeakPolarHBondContact O-CE 3.31Å |
| 199 | C | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -106.4 | -3.7 | -168.7 | -62.3 | 0 | 0 | 0 | 0 | 115.1 | V133 C142 I195 H196 G201 K202 | V133-C199 VanDerWaalsContact CG1-SG 3.55Å; C142-C199 HydrophobicContact CB-CB 3.76Å; C142-C199 WeakPolarHBondContact CB-SG 3.31Å; C142-C199 WeakPolarHBondContact SG-CA 3.28Å; C142-C199 WeakPolarHBondContact SG-CB 3.29Å; C142-C199 CovalentContact SG-SG 2.04Å; C142-C199 PolarHBondContact SG-SG 3.34Å; I195-C199 WeakPolarHBondContact O-CB 3.31Å; I195-C199 PolarHBondContact O-N 3.07Å; H196-C199 PolarHBondContact O-N 3.48Å; C199-G201 PolarHBondContact O-N 2.75Å; C199-K202 WeakPolarHBondContact O-CB 3.44Å; C199-K202 PolarHBondContact O-N 3.45Å |
| 200 | D | 96.1 | Very high | 95.1 | Very high | 104 Ų | 104 | 59.8 Ų | 59.8 | 56% | 0.556 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 133.8 | 176.5 | -171.6 | 33.5 | 0 | 0 | 0 | 111.1 | H196 K202 | H196-D200 WeakPolarHBondContact O-CB 3.35Å; H196-D200 PolarHBondContact O-N 2.88Å; D200-K202 VanDerWaalsContact C-N 3.26Å; D200-K202 PolarHBondContact O-N 2.89Å |
| 201 | G | 94.6 | Very high | 94.6 | Very high | 81 Ų | 81 | 59.8 Ų | 59.8 | 84% | 0.835 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 13 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | C199 | C199-G201 PolarHBondContact O-N 2.75Š|
| 202 | K | 95.9 | Very high | 94.2 | Very high | 58 Ų | 58 | 63.9 Ų | 63.9 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -115.9 | 153.5 | 176.8 | -55.8 | -175.6 | -161.4 | -59.3 | 0 | 111.5 | L135 R140 L198 C199 D200 T204 | L135-K202 HydrophobicContact CD1-CD 3.45Å; L135-K202 VanDerWaalsContact CD1-CD 3.45Å; L135-K202 HydrophobicContact CD2-CD 4.32Å; R140-K202 WeakPolarHBondContact O-CB 3.47Å; L198-K202 WeakPolarHBondContact O-CE 3.31Å; C199-K202 WeakPolarHBondContact O-CB 3.44Å; C199-K202 PolarHBondContact O-N 3.45Å; D200-K202 VanDerWaalsContact C-N 3.26Å; D200-K202 PolarHBondContact O-N 2.89Å; K202-T204 PolarHBondContact O-N 2.96Å; K202-T204 PolarHBondContact O-OG1 2.81Å |
| 203 | E | 96.2 | Very high | 93.6 | Very high | 84 Ų | 84 | 65.8 Ų | 65.8 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 132.8 | 168.4 | -57.9 | -152.7 | 138.6 | 0 | 0 | 109.3 | T141 C142 R184 Y205 | T141-E203 CarbonylContact C-O 3.53Å; T141-E203 WeakPolarHBondContact CA-O 3.37Å; T141-E203 HydrophobicContact CG2-CB 4.16Å; T141-E203 WeakPolarHBondContact CG2-O 3.43Å; C142-E203 PolarHBondContact N-O 3.36Å; R184-E203 IonicContact CZ-OE1 3.65Å; R184-E203 IonicContact NH1-OE1 2.9Å; R184-E203 IonicContact NH2-OE1 2.86Å; R184-E203 PolarHBondContact NH2-OE1 3.38Å; E203-Y205 HydrophobicContact CB-CD2 4.5Å; E203-Y205 HydrophobicContact CB-CE2 3.68Å; E203-Y205 PolarHBondContact OE2-OH 3.31Å |
| 204 | T | 97.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129 | -178.7 | -56.4 | 0 | 0 | 0 | 0 | 109.6 | C142 V144 I185 V188 K202 | C142-T204 HydrophobicContact CB-CG2 3.97Å; C142-T204 CarbonylContact O-C 3.52Å; C142-T204 VanDerWaalsContact O-CA 3.28Å; C142-T204 WeakPolarHBondContact O-CA 3.5Å; V144-T204 HydrophobicContact CG2-CG2 3.62Å; I185-T204 HydrophobicContact CB-CG2 4.14Å; I185-T204 HydrophobicContact CD1-CG2 4.23Å; I185-T204 PolarHBondContact N-O 2.94Å; V188-T204 HydrophobicContact CG1-CG2 3.95Å; V188-T204 WeakPolarHBondContact CG1-OG1 3.29Å; K202-T204 PolarHBondContact O-N 2.96Å; K202-T204 PolarHBondContact O-OG1 2.81Å |
| 205 | Y | 96.8 | Very high | 91.6 | Very high | 53 Ų | 53 | 63.7 Ų | 63.7 | 21% | 0.208 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 151.1 | 178.6 | -59.5 | -89.9 | 0 | 0 | 0 | 110.6 | T141 C142 F143 V144 V181 E183 R184 E203 | T141-Y205 HydrophobicContact CG2-CD2 3.45Å; T141-Y205 VanDerWaalsContact CG2-CD2 3.45Å; T141-Y205 HydrophobicContact CG2-CE2 3.62Å; C142-Y205 PolarHBondContact O-N 2.91Å; F143-Y205 CarbonylContact C-O 3.58Å; F143-Y205 VanDerWaalsContact CA-O 3.3Å; F143-Y205 WeakPolarHBondContact CA-O 3.41Å; F143-Y205 HydrophobicContact CE1-CD2 4.2Å; V144-Y205 PolarHBondContact N-O 3.44Å; V181-Y205 HydrophobicContact CG1-CD1 4.21Å; V181-Y205 HydrophobicContact CG1-CG 4.04Å; E183-Y205 CarbonylContact O-C 3.58Å; E183-Y205 WeakPolarHBondContact O-CA 3.33Å; R184-Y205 HydrophobicContact CB-CD1 3.86Å; R184-Y205 HydrophobicContact CB-CE1 3.81Å; R184-Y205 HydrophobicContact CG-CD1 4.08Å; R184-Y205 HydrophobicContact CG-CE1 3.79Å; E203-Y205 HydrophobicContact CB-CD2 4.5Å; E203-Y205 HydrophobicContact CB-CE2 3.68Å; E203-Y205 PolarHBondContact OE2-OH 3.31Å |
| 206 | R | 96.2 | Very high | 90 | Very high | 83 Ų | 83 | 64.5 Ų | 64.5 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 150.5 | 169.5 | -160.7 | 171.3 | -165.2 | 123.2 | 6.7 | 109.9 | V144 T182 E183 I185 | V144-R206 CarbonylContact O-C 3.53Å; V144-R206 WeakPolarHBondContact O-CA 3.49Å; T182-R206 PolarHBondContact N-O 2.93Å; T182-R206 PolarHBondContact OG1-O 3.45Å; E183-R206 HydrophobicContact CG-CB 3.53Å; E183-R206 HydrophobicContact CG-CG 4.37Å; E183-R206 PolarHBondContact O-N 3.31Å; E183-R206 WeakPolarHBondContact OE1-CD 3.16Å; E183-R206 IonicContact OE1-NE 2.93Å; E183-R206 IonicContact OE1-NH1 2.69Å; I185-R206 HydrophobicContact CD1-CB 4.2Å; I185-R206 HydrophobicContact CG1-CB 4.43Å |
| 207 | M | 94.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 156.6 | 172.9 | -60.9 | -174.4 | -67.3 | 0 | 0 | 111.2 | Y134 F143 V144 I145 L179 V180 V181 I242 | Y134-M207 HydrophobicContact CD2-CE 3.66Å; Y134-M207 HydrophobicContact CE2-CE 4.29Å; Y134-M207 HydrophobicContact CG-CE 4.41Å; F143-M207 HydrophobicContact CB-CE 3.27Å; F143-M207 HydrophobicContact CB-CG 3.87Å; F143-M207 HydrophobicContact CB-SD 3.41Å; F143-M207 WeakPolarHBondContact CB-SD 3.43Å; F143-M207 HydrophobicContact CD1-CG 4.24Å; F143-M207 HydrophobicContact CD1-SD 4.12Å; F143-M207 HydrophobicContact CG-CE 4.38Å; F143-M207 HydrophobicContact CG-CG 4.49Å; F143-M207 HydrophobicContact CG-SD 3.98Å; V144-M207 PolarHBondContact O-N 2.91Å; I145-M207 HydrophobicContact CB-CB 4.42Å; I145-M207 HydrophobicContact CB-CE 4.33Å; I145-M207 HydrophobicContact CG2-CE 4.39Å; L179-M207 HydrophobicContact CB-SD 4.22Å; L179-M207 HydrophobicContact CD1-CE 3.87Å; L179-M207 HydrophobicContact CD1-SD 4.16Å; V180-M207 VanDerWaalsContact O-CA 3.3Å; V180-M207 WeakPolarHBondContact O-CA 3.33Å; V181-M207 HydrophobicContact CG2-CG 4.32Å; M207-I242 HydrophobicContact CE-CD1 3.99Å; M207-I242 HydrophobicContact CE-CG1 4.44Å; M207-I242 HydrophobicContact SD-CB 4.2Å; M207-I242 HydrophobicContact SD-CD1 3.72Å; M207-I242 HydrophobicContact SD-CG1 3.71Å; M207-I242 HydrophobicContact SD-CG2 3.4Å; M207-I242 WeakPolarHBondContact SD-CG2 3.34Å |
| 208 | Q | 92.9 | Very high | 87 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 36% | 0.36 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 153.4 | 169.7 | -63.4 | -172.7 | 7.3 | 0 | 0 | 110.3 | L179 V180 T182 R210 L213 | L179-Q208 WeakPolarHBondContact CA-O 3.3Å; V180-Q208 PolarHBondContact N-O 2.85Å; V180-Q208 PolarHBondContact O-N 3.3Å; T182-Q208 HydrophobicContact CG2-CB 4.17Å; T182-Q208 HydrophobicContact CG2-CG 3.91Å; Q208-R210 PolarHBondContact O-N 3.5Å; Q208-L213 HydrophobicContact CB-CD2 4.33Å; Q208-L213 VanDerWaalsContact OE1-CD2 3.28Å |
| 209 | R | 91.2 | Very high | 85.4 | Confident | 49 Ų | 49 | 72.3 Ų | 72.3 | 19% | 0.185 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 134.1 | 171.6 | -68.2 | 179.2 | 176.7 | 82 | 25.3 | 109.3 | I145 E177 L179 S211 N212 | I145-R209 HydrophobicContact CD1-CG 4.31Å; E177-R209 IonicContact OE1-CZ 3.84Å; E177-R209 VanDerWaalsContact OE1-CZ 3.25Å; E177-R209 IonicContact OE1-NE 3.13Å; E177-R209 PolarHBondContact OE1-NE 3.28Å; E177-R209 IonicContact OE1-NH2 3.58Å; E177-R209 PolarHBondContact OE1-NH2 2.91Å; L179-R209 HydrophobicContact CD2-CB 4.38Å; L179-R209 HydrophobicContact CD2-CG 3.74Å; R209-S211 PolarHBondContact O-N 3.48Å; R209-N212 WeakPolarHBondContact O-CB 3.4Å; R209-N212 PolarHBondContact O-N 2.79Å |
| 210 | R | 88.3 | Confident | 83.7 | Confident | 40 Ų | 40 | 79.3 Ų | 79.3 | 15% | 0.151 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -55.7 | -36.9 | 178.5 | -172.7 | 175.8 | -76.8 | -121.2 | 4.6 | 111.8 | D178 V180 Q208 N212 L213 G216 D224 | D178-R210 HydrophobicContact CB-CB 4Å; D178-R210 PolarHBondContact O-N 2.84Å; V180-R210 HydrophobicContact CG2-CB 4.01Å; V180-R210 HydrophobicContact CG2-CG 4.2Å; Q208-R210 PolarHBondContact O-N 3.5Å; R210-N212 PolarHBondContact O-N 2.88Å; R210-L213 PolarHBondContact O-N 2.78Å; R210-L213 VanDerWaalsContact O-N 3.16Å; R210-G216 VanDerWaalsContact O-CA 3.25Å; R210-G216 WeakPolarHBondContact O-CA 3.36Å; R210-D224 IonicContact NH2-OD2 3.12Å; R210-D224 PolarHBondContact NH2-OD2 3.4Å; R210-D224 VanDerWaalsContact NH2-OD2 3.13Å |
| 211 | S | 84.8 | Confident | 81.8 | Confident | 89 Ų | 89 | 86.5 Ų | 86.5 | 62% | 0.622 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -61.4 | -23.5 | 177.5 | 58.9 | 0 | 0 | 0 | 0 | 114.5 | R209 | R209-S211 PolarHBondContact O-N 3.48Š|
| 212 | N | 86.3 | Confident | 80 | Confident | 111 Ų | 111 | 85.2 Ų | 85.2 | 59% | 0.594 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -90.2 | -12.1 | -179.1 | -65.8 | -4.2 | 0 | 0 | 0 | 112.5 | R209 R210 | R209-N212 WeakPolarHBondContact O-CB 3.4Å; R209-N212 PolarHBondContact O-N 2.79Å; R210-N212 PolarHBondContact O-N 2.88Å |
| 213 | L | 83.4 | Confident | 78 | Confident | 47 Ų | 47 | 87.6 Ų | 87.6 | 25% | 0.246 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -81.9 | 144.5 | -178.2 | -68.3 | 174.2 | 0 | 0 | 0 | 111.4 | V180 Q208 R210 G215 G216 | V180-L213 HydrophobicContact CB-CD1 3.8Å; V180-L213 HydrophobicContact CG1-CD1 4.05Å; V180-L213 HydrophobicContact CG2-CD1 4.04Å; Q208-L213 HydrophobicContact CB-CD2 4.33Å; Q208-L213 VanDerWaalsContact OE1-CD2 3.28Å; R210-L213 PolarHBondContact O-N 2.78Å; R210-L213 VanDerWaalsContact O-N 3.16Å; L213-G215 PolarHBondContact O-N 3.48Å; L213-G215 VanDerWaalsContact O-N 3.15Å; L213-G216 PolarHBondContact O-N 2.76Å |
| 214 | P | 76.9 | Confident | 76.6 | Confident | 134 Ų | 134 | 85.4 Ų | 85.4 | 87% | 0.87 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 118.7 | 170.4 | -20 | 31 | 0 | 0 | 0 | 110.2 | ||
| 215 | G | 70.6 | Confident | 75.8 | Confident | 45 Ų | 45 | 90.4 Ų | 90.4 | 46% | 0.464 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 13.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | L213 N217 I218 | L213-G215 PolarHBondContact O-N 3.48Å; L213-G215 VanDerWaalsContact O-N 3.15Å; G215-N217 PolarHBondContact O-N 3.31Å; G215-I218 WeakPolarHBondContact O-CA 3.4Å; G215-I218 VanDerWaalsContact O-CB 3.31Å; G215-I218 WeakPolarHBondContact O-CB 3.24Å; G215-I218 PolarHBondContact O-N 2.85Å |
| 216 | G | 63.6 | Low | 75.3 | Confident | 17 Ų | 17 | 89.4 Ų | 89.4 | 18% | 0.175 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -22.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R210 L213 I218 | R210-G216 VanDerWaalsContact O-CA 3.25Å; R210-G216 WeakPolarHBondContact O-CA 3.36Å; L213-G216 PolarHBondContact O-N 2.76Å; G216-I218 VanDerWaalsContact C-N 3.26Å; G216-I218 PolarHBondContact O-N 2.79Å |
| 217 | N | 63.5 | Low | 75 | Confident | 162 Ų | 162 | 86.1 Ų | 86.1 | 87% | 0.866 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -7.4 | 174 | -64.1 | -17.4 | 0 | 0 | 0 | 113.3 | G215 | G215-N217 PolarHBondContact O-N 3.31Š|
| 218 | I | 64.4 | Low | 74.8 | Confident | 129 Ų | 129 | 87.7 Ų | 87.7 | 66% | 0.662 | 48% | 0.478 | S | S | * | . | trans | -98.7 | 97.1 | -179.9 | -53.9 | 174.4 | 0 | 0 | 0 | 107.6 | G215 G216 K220 | G215-I218 WeakPolarHBondContact O-CA 3.4Å; G215-I218 VanDerWaalsContact O-CB 3.31Å; G215-I218 WeakPolarHBondContact O-CB 3.24Å; G215-I218 PolarHBondContact O-N 2.85Å; G216-I218 VanDerWaalsContact C-N 3.26Å; G216-I218 PolarHBondContact O-N 2.79Å; I218-K220 PolarHBondContact O-N 2.99Å | ||
| 219 | Q | 63.3 | Low | 74.7 | Confident | 154 Ų | 154 | 84 Ų | 84 | 72% | 0.72 | 46% | 0.461 | S | S | * | . | trans | -71.7 | 110.2 | 168.6 | -79.1 | -176.2 | 11.6 | 0 | 0 | 109.4 | ||||
| 220 | K | 60.4 | Low | 74.7 | Confident | 148 Ų | 148 | 83.8 Ų | 83.8 | 64% | 0.643 | 46% | 0.46 | S | S | * | . | trans | -65.5 | 132.8 | 170.2 | -154.8 | 176.9 | -179.3 | -174.1 | 0 | 108.1 | I218 S222 | I218-K220 PolarHBondContact O-N 2.99Å; K220-S222 PolarHBondContact O-N 3.42Å; K220-S222 VanDerWaalsContact O-N 3.13Å | ||
| 221 | R | 57.3 | Low | 74.9 | Confident | 255 Ų | 255 | 81.9 Ų | 81.9 | 96% | 0.962 | 45% | 0.453 | S | S | * | . | trans | -74.7 | 8.8 | -178.8 | -62 | -177.8 | -178.1 | -174.5 | 0.3 | 113.7 | ||||
| 222 | S | 56.8 | Low | 75.2 | Confident | 54 Ų | 54 | 77.7 Ų | 77.7 | 38% | 0.378 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -72 | 144.2 | 175.3 | 41 | 0 | 0 | 0 | 0 | 110.1 | K220 D224 | K220-S222 PolarHBondContact O-N 3.42Å; K220-S222 VanDerWaalsContact O-N 3.13Å; S222-D224 PolarHBondContact O-N 3.49Å; S222-D224 PolarHBondContact OG-OD1 3.25Å |
| 223 | A | 54.2 | Low | 75.2 | Confident | 108 Ų | 108 | 72.8 Ų | 72.8 | 89% | 0.893 | 40% | 0.397 | S | S | * | . | trans | -69 | 82.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | D225 | A223-D225 PolarHBondContact O-N 3.19Š| ||
| 224 | D | 65.5 | Low | 75.6 | Confident | 37 Ų | 37 | 71.6 Ų | 71.6 | 20% | 0.198 | 39% | 0.391 | C | S | . | . | trans | -58.2 | 129.1 | 171.7 | -65.3 | -10.6 | 0 | 0 | 0 | 107 | R210 S222 C226 C243 | R210-D224 IonicContact NH2-OD2 3.12Å; R210-D224 PolarHBondContact NH2-OD2 3.4Å; R210-D224 VanDerWaalsContact NH2-OD2 3.13Å; S222-D224 PolarHBondContact O-N 3.49Å; S222-D224 PolarHBondContact OG-OD1 3.25Å; D224-C226 VanDerWaalsContact C-N 3.28Å; D224-C226 WeakPolarHBondContact CB-SG 3.37Å; D224-C226 PolarHBondContact O-N 3.46Å; D224-C226 PolarHBondContact O-SG 3.3Å; D224-C243 HydrophobicContact CB-CB 4.18Å | ||
| 225 | D | 80.1 | Confident | 76.2 | Confident | 106 Ų | 106 | 70.1 Ų | 70.1 | 57% | 0.567 | 37% | 0.37 | S | S | * | . | trans | -66.9 | 92.3 | 172.5 | -176.8 | 27.3 | 0 | 0 | 0 | 107.3 | A223 K244 | A223-D225 PolarHBondContact O-N 3.19Å; D225-K244 HydrophobicContact CB-CD 4.34Å; D225-K244 PolarHBondContact O-N 2.99Å; D225-K244 WeakPolarHBondContact OD2-CE 2.94Å; D225-K244 IonicContact OD2-NZ 3.88Å; D225-K244 PolarHBondContact OD2-NZ 2.99Å | ||
| 226 | C | 88.3 | Confident | 77.2 | Confident | 32 Ų | 32 | 69.1 Ų | 69.1 | 22% | 0.216 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 142.2 | -177.1 | -46.7 | 0 | 0 | 0 | 0 | 110 | D224 R241 I242 C243 | D224-C226 VanDerWaalsContact C-N 3.28Å; D224-C226 WeakPolarHBondContact CB-SG 3.37Å; D224-C226 PolarHBondContact O-N 3.46Å; D224-C226 PolarHBondContact O-SG 3.3Å; C226-R241 HydrophobicContact CB-CG 3.98Å; C226-R241 PolarHBondContact SG-NE 2.98Å; C226-I242 CarbonylContact C-O 3.54Å; C226-I242 WeakPolarHBondContact CA-O 3.41Å; C226-I242 WeakPolarHBondContact CB-O 3.37Å; C226-C243 HydrophobicContact CB-CB 4.05Å; C226-C243 WeakPolarHBondContact CB-SG 3.16Å; C226-C243 WeakPolarHBondContact SG-CB 3.47Å; C226-C243 CovalentContact SG-SG 2.04Å; C226-C243 PolarHBondContact SG-SG 3.47Å |
| 227 | F | 88.5 | Confident | 78.5 | Confident | 15 Ų | 15 | 68.3 Ų | 68.3 | 7% | 0.066 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 156.3 | 170.4 | 60.4 | -85.7 | 0 | 0 | 0 | 109.1 | D119 D136 L139 F143 I229 I242 | D119-F227 HydrophobicContact CB-CB 4.39Å; D119-F227 WeakPolarHBondContact OD2-CA 3.28Å; D119-F227 WeakPolarHBondContact OD2-CB 3.3Å; D136-F227 HydrophobicContact CB-CE2 4.46Å; L139-F227 HydrophobicContact CD1-CD1 4.3Å; L139-F227 HydrophobicContact CD1-CE1 4.36Å; F143-F227 HydrophobicContact CD2-CE2 4.29Å; F143-F227 AromaticContact CD2-CZ 3.64Å; F143-F227 HydrophobicContact CD2-CZ 3.64Å; F143-F227 HydrophobicContact CE1-CE1 4.28Å; F143-F227 HydrophobicContact CE1-CZ 4.15Å; F143-F227 AromaticContact CE2-CE1 3.85Å; F143-F227 HydrophobicContact CE2-CE1 3.85Å; F143-F227 HydrophobicContact CE2-CE2 4.01Å; F143-F227 AromaticContact CE2-CZ 3.21Å; F143-F227 HydrophobicContact CE2-CZ 3.21Å; F143-F227 HydrophobicContact CG-CZ 4.27Å; F143-F227 AromaticContact CZ-CE1 3.65Å; F143-F227 HydrophobicContact CZ-CE1 3.65Å; F143-F227 AromaticContact CZ-CZ 3.49Å; F143-F227 HydrophobicContact CZ-CZ 3.49Å; F143-F227 VanDerWaalsContact CZ-CZ 3.49Å; F227-I229 HydrophobicContact CD2-CD1 4.24Å; F227-I229 HydrophobicContact CD2-CG1 4.31Å; F227-I229 HydrophobicContact CE2-CD1 4.02Å; F227-I242 HydrophobicContact CD1-CB 4.2Å; F227-I242 HydrophobicContact CD1-CG2 4.38Å; F227-I242 WeakPolarHBondContact CD1-O 3.46Å; F227-I242 HydrophobicContact CD2-CB 4.21Å; F227-I242 HydrophobicContact CD2-CD1 4.33Å; F227-I242 HydrophobicContact CE1-CB 3.64Å; F227-I242 HydrophobicContact CE1-CG2 3.45Å; F227-I242 VanDerWaalsContact CE1-CG2 3.45Å; F227-I242 HydrophobicContact CE2-CB 3.68Å; F227-I242 HydrophobicContact CE2-CD1 3.38Å; F227-I242 HydrophobicContact CE2-CG1 4.04Å; F227-I242 HydrophobicContact CE2-CG2 4.13Å; F227-I242 HydrophobicContact CG-CB 4.45Å; F227-I242 HydrophobicContact CZ-CB 3.35Å; F227-I242 HydrophobicContact CZ-CD1 3.59Å; F227-I242 HydrophobicContact CZ-CG1 4.03Å; F227-I242 HydrophobicContact CZ-CG2 3.29Å; F227-I242 PolarHBondContact N-O 3.1Å; F227-I242 PolarHBondContact O-N 3.34Å |
| 228 | T | 90.7 | Very high | 79.9 | Confident | 32 Ų | 32 | 60.7 Ų | 60.7 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 124.4 | -170.9 | 52 | 0 | 0 | 0 | 0 | 110.5 | G118 D119 T240 R241 | G118-T228 CarbonylContact C-O 3.59Å; G118-T228 VanDerWaalsContact CA-O 3.3Å; G118-T228 WeakPolarHBondContact CA-O 3.46Å; D119-T228 PolarHBondContact N-O 2.9Å; D119-T228 PolarHBondContact OD2-N 3.42Å; T228-T240 WeakPolarHBondContact CA-O 3.3Å; T228-R241 HydrophobicContact CG2-CB 4.24Å; T228-R241 HydrophobicContact CG2-CG 4.08Å |
| 229 | I | 91.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.2 | 178.6 | -57.6 | 169.4 | 0 | 0 | 0 | 107.6 | V110 D119 A121 I123 Y134 F227 E239 T240 I242 | V110-I229 HydrophobicContact CG1-CG2 4.3Å; V110-I229 HydrophobicContact CG2-CG2 4.04Å; D119-I229 HydrophobicContact CB-CG1 4.48Å; A121-I229 HydrophobicContact CB-CD1 3.66Å; A121-I229 HydrophobicContact CB-CG1 4.17Å; A121-I229 HydrophobicContact CB-CG2 4.16Å; I123-I229 HydrophobicContact CD1-CG2 3.95Å; Y134-I229 HydrophobicContact CD1-CD1 3.87Å; F227-I229 HydrophobicContact CD2-CD1 4.24Å; F227-I229 HydrophobicContact CD2-CG1 4.31Å; F227-I229 HydrophobicContact CE2-CD1 4.02Å; I229-E239 CarbonylContact O-C 3.54Å; I229-E239 WeakPolarHBondContact O-CA 3.22Å; I229-T240 PolarHBondContact N-O 2.91Å; I229-T240 PolarHBondContact O-N 2.9Å; I229-I242 HydrophobicContact CD1-CD1 4.22Å |
| 230 | R | 90.6 | Very high | 82.6 | Confident | 44 Ų | 44 | 48.2 Ų | 48.2 | 17% | 0.166 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.2 | 174.7 | -72.1 | -172.7 | -178.5 | 135.9 | 6.6 | 109.5 | T238 E239 | R230-T238 WeakPolarHBondContact CA-O 3.29Å; R230-E239 HydrophobicContact CG-CB 4.1Å; R230-E239 HydrophobicContact CG-CG 4.2Å; R230-E239 IonicContact CZ-OE1 2.71Å; R230-E239 IonicContact NE-OE1 3.79Å; R230-E239 PolarHBondContact NE-OE1 2.89Å; R230-E239 IonicContact NH2-OE1 2.77Å; R230-E239 PolarHBondContact NH2-OE1 3.26Å |
| 231 | H | 91.9 | Very high | 84.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 169.6 | -175 | 61.6 | -19.5 | 0 | 0 | 0 | 111.5 | E97 V110 I123 Y134 E233 T238 T240 | E97-H231 WeakPolarHBondContact OE1-CA 3.38Å; E97-H231 WeakPolarHBondContact OE1-CB 3.44Å; V110-H231 HydrophobicContact CG2-CB 4.2Å; I123-H231 HydrophobicContact CD1-CB 3.95Å; I123-H231 WeakPolarHBondContact CD1-CD2 3.15Å; Y134-H231 AromaticContact CE1-NE2 3.76Å; Y134-H231 PolarHBondContact OH-NE2 3Å; H231-E233 VanDerWaalsContact CD2-CD 3.42Å; H231-E233 IonicContact CD2-OE1 3.93Å; H231-E233 PolarHBondContact CD2-OE1 3.29Å; H231-E233 VanDerWaalsContact NE2-CD 3.28Å; H231-E233 IonicContact NE2-OE1 2.85Å; H231-E233 PolarHBondContact NE2-OE1 3.31Å; H231-E233 IonicContact NE2-OE2 2.75Å; H231-T238 PolarHBondContact N-O 3.33Å; H231-T238 PolarHBondContact ND1-O 3.48Å; H231-T238 PolarHBondContact O-N 3.5Å; H231-T238 VanDerWaalsContact O-O 3.06Å; H231-T240 PolarHBondContact CE1-OG1 2.88Å |
| 232 | F | 91.3 | Very high | 85.7 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | trans | -129.4 | 109.6 | 170.6 | 54 | -92.3 | 0 | 0 | 0 | 111.9 | M76 V95 E97 F162 L165 F236 V237 | M76-F232 HydrophobicContact CB-CD1 4.21Å; M76-F232 HydrophobicContact CB-CE1 4.38Å; M76-F232 HydrophobicContact CE-CD2 4.05Å; M76-F232 HydrophobicContact CE-CG 4.5Å; M76-F232 HydrophobicContact CG-CD1 4.21Å; M76-F232 HydrophobicContact CG-CD2 4.2Å; M76-F232 HydrophobicContact CG-CE1 4.35Å; M76-F232 HydrophobicContact CG-CE2 4.36Å; M76-F232 HydrophobicContact CG-CG 4.15Å; M76-F232 HydrophobicContact CG-CZ 4.45Å; M76-F232 HydrophobicContact SD-CB 3.91Å; M76-F232 HydrophobicContact SD-CD1 4.4Å; M76-F232 HydrophobicContact SD-CD2 3.98Å; M76-F232 HydrophobicContact SD-CG 3.85Å; V95-F232 HydrophobicContact CB-CD1 4.14Å; V95-F232 HydrophobicContact CB-CE1 4.22Å; V95-F232 HydrophobicContact CG1-CD1 3.96Å; V95-F232 HydrophobicContact CG1-CE1 4.04Å; E97-F232 HydrophobicContact CB-CE1 3.89Å; E97-F232 HydrophobicContact CB-CZ 3.77Å; E97-F232 HydrophobicContact CG-CD1 4.02Å; E97-F232 HydrophobicContact CG-CE1 3.5Å; E97-F232 VanDerWaalsContact CG-CE1 3.5Å; E97-F232 HydrophobicContact CG-CZ 3.92Å; E97-F232 WeakPolarHBondContact OE2-CD1 3.25Å; E97-F232 WeakPolarHBondContact OE2-CE1 3.36Å; E97-F232 VanDerWaalsContact OE2-CG 3.3Å; E97-F232 WeakPolarHBondContact OE2-CG 3.31Å; E97-F232 PolarHBondContact OE2-N 2.93Å; F162-F232 AromaticContact CE1-CE2 3.65Å; F162-F232 HydrophobicContact CE1-CE2 3.65Å; F162-F232 HydrophobicContact CE1-CZ 4.09Å; F162-F232 HydrophobicContact CE2-CE2 4.16Å; F162-F232 HydrophobicContact CZ-CD2 4.07Å; F162-F232 AromaticContact CZ-CE2 3.35Å; F162-F232 HydrophobicContact CZ-CE2 3.35Å; F162-F232 HydrophobicContact CZ-CZ 4.11Å; L165-F232 HydrophobicContact CD1-CD2 4.22Å; L165-F232 HydrophobicContact CD1-CE2 3.5Å; L165-F232 HydrophobicContact CD1-CZ 4.17Å; F232-F236 WeakPolarHBondContact CB-O 3.45Å; F232-V237 HydrophobicContact CB-CG2 4.42Å | ||
| 233 | E | 86.3 | Confident | 87.3 | Confident | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -100.9 | 7.5 | 176.5 | -59.8 | 177.2 | 171.1 | 0 | 0 | 111.7 | I123 H125 V152 L153 H231 | I123-E233 WeakPolarHBondContact CG2-OE1 3.46Å; H125-E233 IonicContact CE1-OE1 2.72Å; H125-E233 PolarHBondContact CE1-OE1 2.81Å; H125-E233 IonicContact CE1-OE2 2.91Å; H125-E233 PolarHBondContact CE1-OE2 2.93Å; H125-E233 IonicContact NE2-OE1 3.25Å; H125-E233 PolarHBondContact NE2-OE1 2.69Å; H125-E233 IonicContact NE2-OE2 2.72Å; V152-E233 HydrophobicContact CG1-CB 4.28Å; V152-E233 HydrophobicContact CG2-CB 4.31Å; V152-E233 WeakPolarHBondContact CG2-OE2 3.14Å; L153-E233 PolarHBondContact N-O 2.84Å; L153-E233 VanDerWaalsContact N-O 3.1Å; H231-E233 VanDerWaalsContact CD2-CD 3.42Å; H231-E233 IonicContact CD2-OE1 3.93Å; H231-E233 PolarHBondContact CD2-OE1 3.29Å; H231-E233 VanDerWaalsContact NE2-CD 3.28Å; H231-E233 IonicContact NE2-OE1 2.85Å; H231-E233 PolarHBondContact NE2-OE1 3.31Å; H231-E233 IonicContact NE2-OE2 2.75Å |
| 234 | N | 91.6 | Very high | 88.8 | Confident | 23 Ų | 23 | 31.1 Ų | 31.1 | 12% | 0.123 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -157.6 | -171.2 | -178.1 | -154.3 | -34.2 | 0 | 0 | 0 | 110 | M76 V151 L153 F236 | M76-N234 WeakPolarHBondContact CE-O 3.42Å; V151-N234 WeakPolarHBondContact O-CB 3.44Å; V151-N234 PolarHBondContact O-ND2 2.71Å; L153-N234 HydrophobicContact CG-CB 4.29Å; N234-F236 HydrophobicContact CB-CD1 4Å; N234-F236 HydrophobicContact CB-CE1 3.64Å; N234-F236 HydrophobicContact CB-CE2 4.21Å; N234-F236 HydrophobicContact CB-CG 4.44Å; N234-F236 HydrophobicContact CB-CZ 3.76Å; N234-F236 WeakPolarHBondContact ND2-CE1 3.23Å; N234-F236 PolarHBondContact O-N 3.05Å |
| 235 | K | 90.8 | Very high | 88.8 | Confident | 102 Ų | 102 | 35.3 Ų | 35.3 | 44% | 0.443 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -67.5 | 15.9 | 173.1 | -62.8 | -179.1 | -177.5 | -179 | 0 | 113.9 | L161 Y170 S172 | L161-K235 HydrophobicContact CD1-CG 4.02Å; Y170-K235 HydrophobicContact CE1-CB 4.09Å; Y170-K235 VanDerWaalsContact CE1-O 3.28Å; Y170-K235 WeakPolarHBondContact CE1-O 3.4Å; S172-K235 VanDerWaalsContact CB-O 3.29Å; S172-K235 WeakPolarHBondContact CB-O 3.06Å |
| 236 | F | 91.5 | Very high | 89.3 | Confident | 24 Ų | 24 | 31.8 Ų | 31.8 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -146.4 | 153.5 | 178.1 | 53.9 | -99.2 | 0 | 0 | 0 | 110.3 | V151 Y173 V175 F232 N234 T238 | V151-F236 HydrophobicContact CG1-CE2 4.3Å; V151-F236 HydrophobicContact CG1-CZ 4.12Å; Y173-F236 HydrophobicContact CD1-CB 4.42Å; Y173-F236 HydrophobicContact CD2-CB 4.35Å; Y173-F236 HydrophobicContact CE1-CB 4.13Å; Y173-F236 HydrophobicContact CE2-CB 4.08Å; Y173-F236 HydrophobicContact CE2-CD1 4.5Å; Y173-F236 HydrophobicContact CE2-CG 4.25Å; V175-F236 HydrophobicContact CB-CD2 3.88Å; V175-F236 HydrophobicContact CB-CE2 4.03Å; V175-F236 HydrophobicContact CG1-CE2 4.41Å; V175-F236 HydrophobicContact CG2-CB 4.45Å; V175-F236 HydrophobicContact CG2-CD2 3.44Å; V175-F236 VanDerWaalsContact CG2-CD2 3.44Å; V175-F236 HydrophobicContact CG2-CE2 3.78Å; V175-F236 HydrophobicContact CG2-CG 3.97Å; F232-F236 WeakPolarHBondContact CB-O 3.45Å; N234-F236 HydrophobicContact CB-CD1 4Å; N234-F236 HydrophobicContact CB-CE1 3.64Å; N234-F236 HydrophobicContact CB-CE2 4.21Å; N234-F236 HydrophobicContact CB-CG 4.44Å; N234-F236 HydrophobicContact CB-CZ 3.76Å; N234-F236 WeakPolarHBondContact ND2-CE1 3.23Å; N234-F236 PolarHBondContact O-N 3.05Å; F236-T238 WeakPolarHBondContact CE2-OG1 3.45Å |
| 237 | V | 91.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 130.8 | 176.4 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | M76 F78 V95 Y173 L174 V175 F232 | M76-V237 HydrophobicContact CB-CG2 4.08Å; F78-V237 HydrophobicContact CB-CB 4.13Å; F78-V237 HydrophobicContact CB-CG2 3.85Å; F78-V237 HydrophobicContact CD1-CB 4.05Å; F78-V237 HydrophobicContact CD1-CG1 4.06Å; F78-V237 HydrophobicContact CD1-CG2 3.7Å; F78-V237 HydrophobicContact CE1-CG1 4.17Å; F78-V237 HydrophobicContact CG-CB 4.03Å; F78-V237 HydrophobicContact CG-CG1 4.36Å; F78-V237 HydrophobicContact CG-CG2 3.96Å; V95-V237 HydrophobicContact CG2-CG1 3.83Å; V95-V237 HydrophobicContact CG2-CG2 4.16Å; Y173-V237 PolarHBondContact O-N 3.36Å; L174-V237 CarbonylContact C-O 3.49Å; L174-V237 WeakPolarHBondContact CA-O 3.31Å; L174-V237 HydrophobicContact CD1-CB 4.3Å; L174-V237 HydrophobicContact CD1-CG1 3.86Å; V175-V237 PolarHBondContact N-O 3.04Å; F232-V237 HydrophobicContact CB-CG2 4.42Å |
| 238 | T | 91.8 | Very high | 89.4 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127.9 | 176.4 | -55.3 | 0 | 0 | 0 | 0 | 109.8 | V175 E177 R230 H231 F236 | V175-T238 CarbonylContact O-C 3.55Å; V175-T238 VanDerWaalsContact O-CA 3.3Å; V175-T238 WeakPolarHBondContact O-CA 3.31Å; E177-T238 HydrophobicContact CB-CG2 4.42Å; R230-T238 WeakPolarHBondContact CA-O 3.29Å; H231-T238 PolarHBondContact N-O 3.33Å; H231-T238 PolarHBondContact ND1-O 3.48Å; H231-T238 PolarHBondContact O-N 3.5Å; H231-T238 VanDerWaalsContact O-O 3.06Å; F236-T238 WeakPolarHBondContact CE2-OG1 3.45Å |
| 239 | E | 91.4 | Very high | 89.3 | Confident | 21 Ų | 21 | 32.8 Ų | 32.8 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 107.6 | 168.6 | 173.7 | 173.8 | -93.9 | 0 | 0 | 108.6 | L174 V175 R176 E177 I229 R230 | L174-E239 HydrophobicContact CD1-CB 3.9Å; L174-E239 HydrophobicContact CG-CB 4.49Å; V175-E239 PolarHBondContact O-N 2.94Å; R176-E239 WeakPolarHBondContact CA-O 3.29Å; R176-E239 VanDerWaalsContact CD-OE2 3.29Å; R176-E239 WeakPolarHBondContact CD-OE2 3.44Å; R176-E239 HydrophobicContact CG-CB 4.34Å; R176-E239 IonicContact NE-OE2 2.9Å; R176-E239 PolarHBondContact NE-OE2 2.93Å; E177-E239 PolarHBondContact N-O 3.35Å; I229-E239 CarbonylContact O-C 3.54Å; I229-E239 WeakPolarHBondContact O-CA 3.22Å; R230-E239 HydrophobicContact CG-CB 4.1Å; R230-E239 HydrophobicContact CG-CG 4.2Å; R230-E239 IonicContact CZ-OE1 2.71Å; R230-E239 IonicContact NE-OE1 3.79Å; R230-E239 PolarHBondContact NE-OE1 2.89Å; R230-E239 IonicContact NH2-OE1 2.77Å; R230-E239 PolarHBondContact NH2-OE1 3.26Å |
| 240 | T | 92.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 115.3 | 178.8 | -57.2 | 0 | 0 | 0 | 0 | 108.7 | Y134 E177 L179 T228 I229 H231 I242 | Y134-T240 HydrophobicContact CE1-CG2 4.37Å; E177-T240 WeakPolarHBondContact O-CA 3.24Å; L179-T240 HydrophobicContact CD1-CG2 3.48Å; L179-T240 VanDerWaalsContact CD1-CG2 3.48Å; L179-T240 HydrophobicContact CG-CG2 3.94Å; T228-T240 WeakPolarHBondContact CA-O 3.3Å; I229-T240 PolarHBondContact N-O 2.91Å; I229-T240 PolarHBondContact O-N 2.9Å; H231-T240 PolarHBondContact CE1-OG1 2.88Å; T240-I242 HydrophobicContact CG2-CD1 4.3Å; T240-I242 HydrophobicContact CG2-CG1 4.02Å |
| 241 | R | 92.5 | Very high | 89.1 | Confident | 109 Ų | 109 | 34.2 Ų | 34.2 | 41% | 0.411 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 114.2 | 176 | -177 | 179.8 | 177.9 | -180 | 0.1 | 109 | E177 L179 C226 T228 | E177-R241 PolarHBondContact O-N 2.77Å; L179-R241 PolarHBondContact N-O 2.98Å; C226-R241 HydrophobicContact CB-CG 3.98Å; C226-R241 PolarHBondContact SG-NE 2.98Å; T228-R241 HydrophobicContact CG2-CB 4.24Å; T228-R241 HydrophobicContact CG2-CG 4.08Å |
| 242 | I | 92.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 119.8 | -180 | -61.2 | 163.8 | 0 | 0 | 0 | 108.2 | Y134 L179 V181 M207 C226 F227 I229 T240 | Y134-I242 HydrophobicContact CG-CD1 4.28Å; L179-I242 HydrophobicContact CB-CG1 4.01Å; L179-I242 HydrophobicContact CD1-CG1 4.12Å; V181-I242 HydrophobicContact CG2-CG2 3.77Å; M207-I242 HydrophobicContact CE-CD1 3.99Å; M207-I242 HydrophobicContact CE-CG1 4.44Å; M207-I242 HydrophobicContact SD-CB 4.2Å; M207-I242 HydrophobicContact SD-CD1 3.72Å; M207-I242 HydrophobicContact SD-CG1 3.71Å; M207-I242 HydrophobicContact SD-CG2 3.4Å; M207-I242 WeakPolarHBondContact SD-CG2 3.34Å; C226-I242 CarbonylContact C-O 3.54Å; C226-I242 WeakPolarHBondContact CA-O 3.41Å; C226-I242 WeakPolarHBondContact CB-O 3.37Å; F227-I242 HydrophobicContact CD1-CB 4.2Å; F227-I242 HydrophobicContact CD1-CG2 4.38Å; F227-I242 WeakPolarHBondContact CD1-O 3.46Å; F227-I242 HydrophobicContact CD2-CB 4.21Å; F227-I242 HydrophobicContact CD2-CD1 4.33Å; F227-I242 HydrophobicContact CE1-CB 3.64Å; F227-I242 HydrophobicContact CE1-CG2 3.45Å; F227-I242 VanDerWaalsContact CE1-CG2 3.45Å; F227-I242 HydrophobicContact CE2-CB 3.68Å; F227-I242 HydrophobicContact CE2-CD1 3.38Å; F227-I242 HydrophobicContact CE2-CG1 4.04Å; F227-I242 HydrophobicContact CE2-CG2 4.13Å; F227-I242 HydrophobicContact CG-CB 4.45Å; F227-I242 HydrophobicContact CZ-CB 3.35Å; F227-I242 HydrophobicContact CZ-CD1 3.59Å; F227-I242 HydrophobicContact CZ-CG1 4.03Å; F227-I242 HydrophobicContact CZ-CG2 3.29Å; F227-I242 PolarHBondContact N-O 3.1Å; F227-I242 PolarHBondContact O-N 3.34Å; I229-I242 HydrophobicContact CD1-CD1 4.22Å; T240-I242 HydrophobicContact CG2-CD1 4.3Å; T240-I242 HydrophobicContact CG2-CG1 4.02Å |
| 243 | C | 90.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.8 | -179 | -61.7 | 0 | 0 | 0 | 0 | 111.1 | L179 V180 V181 D224 C226 | L179-C243 PolarHBondContact O-N 3.46Å; V180-C243 WeakPolarHBondContact CA-O 3.22Å; V181-C243 PolarHBondContact N-O 3.4Å; D224-C243 HydrophobicContact CB-CB 4.18Å; C226-C243 HydrophobicContact CB-CB 4.05Å; C226-C243 WeakPolarHBondContact CB-SG 3.16Å; C226-C243 WeakPolarHBondContact SG-CB 3.47Å; C226-C243 CovalentContact SG-SG 2.04Å; C226-C243 PolarHBondContact SG-SG 3.47Å |
| 244 | K | 84 | Confident | 88.9 | Confident | 94 Ų | 94 | 42 Ų | 42 | 41% | 0.409 | 22% | 0.222 | S | C | . | . | trans | -67.5 | 140.2 | 166.2 | -65.2 | 175.3 | -175.2 | 162.1 | 0 | 109.7 | D225 | D225-K244 HydrophobicContact CB-CD 4.34Å; D225-K244 PolarHBondContact O-N 2.99Å; D225-K244 WeakPolarHBondContact OD2-CE 2.94Å; D225-K244 IonicContact OD2-NZ 3.88Å; D225-K244 PolarHBondContact OD2-NZ 2.99Å | ||
| 245 | A | 67.5 | Low | 88.7 | Confident | 126 Ų | 126 | 43.7 Ų | 43.7 | 100% | 1.041 | 23% | 0.231 | S | C | * | . | trans | -73.9 | 0 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | V180 V181 | V180-A245 HydrophobicContact CG1-CB 3.9Å; V181-A245 VanDerWaalsContact O-CB 3.24Å; V181-A245 WeakPolarHBondContact O-CB 3.42Å |
Retrieved 245 of 245 residues in 122 ms
(Link to these results)