| 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 | 40.8 | Very low | 36.2 | Very low | 228 Ų | 228 | 169.8 Ų | 169.8 | 100% | 1.123 | 85% | 0.854 | S | S | * | * | 0 | 107.1 | 0 | 171.3 | 176.8 | 171 | 0 | 0 | 107.7 | |||||
| 2 | F | 32.2 | Very low | 36 | Very low | 202 Ų | 202 | 166.4 Ų | 166.4 | 89% | 0.886 | 86% | 0.855 | S | S | * | * | trans | 161.6 | 120.5 | 162.4 | -100.2 | -67.7 | 0 | 0 | 0 | 105.5 | ||||
| 3 | V | 34.3 | Very low | 36.6 | Very low | 128 Ų | 128 | 165 Ų | 165 | 78% | 0.776 | 85% | 0.851 | S | S | * | * | trans | -104.8 | 116 | -177.5 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | I5 | V3-I5 HydrophobicContact CG1-CG1 4.07Š| ||
| 4 | V | 37.5 | Very low | 36.9 | Very low | 139 Ų | 139 | 162.4 Ų | 162.4 | 84% | 0.842 | 85% | 0.852 | S | S | * | * | trans | -90.8 | 108.6 | 170.8 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 5 | I | 40.8 | Very low | 37.6 | Very low | 136 Ų | 136 | 164.2 Ų | 164.2 | 70% | 0.697 | 85% | 0.854 | S | S | * | * | trans | -79.8 | 122.4 | -178.9 | -61.2 | 177.5 | 0 | 0 | 0 | 108.9 | V3 T7 | V3-I5 HydrophobicContact CG1-CG1 4.07Å; I5-T7 HydrophobicContact CG2-CG2 4.43Å; I5-T7 PolarHBondContact O-N 3.17Å | ||
| 6 | Q | 34.4 | Very low | 38.6 | Very low | 188 Ų | 188 | 163.3 Ų | 163.3 | 88% | 0.879 | 85% | 0.85 | S | S | * | * | trans | -92.6 | 88 | -178 | -170.1 | 178.9 | 20.9 | 0 | 0 | 110.8 | R8 | Q6-R8 PolarHBondContact O-N 3.1Š| ||
| 7 | T | 35.5 | Very low | 39.4 | Very low | 120 Ų | 120 | 158.8 Ų | 158.8 | 74% | 0.736 | 83% | 0.833 | S | S | * | * | trans | -79 | 113.7 | 175.4 | 33.9 | 0 | 0 | 0 | 0 | 111.7 | I5 | I5-T7 HydrophobicContact CG2-CG2 4.43Å; I5-T7 PolarHBondContact O-N 3.17Å | ||
| 8 | R | 34.5 | Very low | 40.3 | Very low | 243 Ų | 243 | 157.3 Ų | 157.3 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | trans | -72.8 | 135.8 | 158.5 | -74.3 | -177.5 | 172.6 | -173.8 | -2.6 | 109.1 | Q6 | Q6-R8 PolarHBondContact O-N 3.1Š| ||
| 9 | V | 35.2 | Very low | 41.3 | Very low | 132 Ų | 132 | 155.6 Ų | 155.6 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | trans | -119.9 | 138.9 | 158.3 | 179.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 10 | Q | 37.4 | Very low | 42.1 | Very low | 187 Ų | 187 | 155.1 Ų | 155.1 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -91.5 | 131.5 | -170 | -153.6 | 152 | -67.6 | 0 | 0 | 109.9 | ||||
| 11 | L | 35.7 | Very low | 43 | Very low | 165 Ų | 165 | 153.5 Ų | 153.5 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -66.5 | 150.5 | 170.5 | -85.6 | 75.1 | 0 | 0 | 0 | 109.9 | ||||
| 12 | C | 34 | Very low | 44.2 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | trans | -134.4 | 120.3 | 169.5 | -155.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 13 | D | 43.2 | Very low | 45.7 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -69.7 | 135.7 | -178.1 | -74.3 | -71.9 | 0 | 0 | 0 | 112.3 | ||||
| 14 | C | 40.8 | Very low | 47.1 | Very low | 129 Ų | 129 | 142 Ų | 142 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | trans | -174.5 | 40 | 151 | -110.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 15 | Q | 47.7 | Very low | 48.3 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | trans | -138.7 | 68.4 | 169.7 | -76 | -157.7 | -12.6 | 0 | 0 | 114.1 | ||||
| 16 | L | 53.8 | Low | 49.6 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 78% | 0.78 | 72% | 0.719 | S | S | * | * | trans | -110.4 | -17.4 | 166.7 | -119.7 | 72.1 | 0 | 0 | 0 | 117.7 | ||||
| 17 | P | 52.8 | Low | 51 | Low | 88 Ų | 88 | 136.1 Ų | 136.1 | 57% | 0.571 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -80.4 | -26.9 | -167.8 | 30.9 | -35.4 | 0 | 0 | 0 | 115.4 | I19 M21 | P17-I19 PolarHBondContact O-N 2.62Å; P17-M21 WeakPolarHBondContact O-CG 3.44Å; P17-M21 PolarHBondContact O-N 2.81Å |
| 18 | L | 54.2 | Low | 52 | Low | 132 Ų | 132 | 135.7 Ų | 135.7 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -65.2 | -39 | -171.4 | -111.2 | 76.6 | 0 | 0 | 0 | 113.5 | M21 I22 | L18-M21 PolarHBondContact O-N 3.45Å; L18-I22 WeakPolarHBondContact O-CG1 3.36Å; L18-I22 PolarHBondContact O-N 3.22Å |
| 19 | I | 59.4 | Low | 53 | Low | 125 Ų | 125 | 128.9 Ų | 128.9 | 64% | 0.641 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -72.9 | -36.2 | -171.4 | -59.9 | 177.7 | 0 | 0 | 0 | 111.1 | P17 L23 | P17-I19 PolarHBondContact O-N 2.62Å; I19-L23 HydrophobicContact CG2-CD1 4.3Å; I19-L23 PolarHBondContact O-N 2.62Å |
| 20 | Q | 58.7 | Low | 53.9 | Low | 145 Ų | 145 | 125.1 Ų | 125.1 | 68% | 0.678 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.2 | -34 | 173.5 | -75.6 | -171.4 | -51.4 | 0 | 0 | 112.7 | L23 L24 | Q20-L23 PolarHBondContact O-N 3.32Å; Q20-L24 PolarHBondContact O-N 2.74Å; Q20-L24 VanDerWaalsContact O-N 3.16Å |
| 21 | M | 60.7 | Low | 54.4 | Low | 122 Ų | 122 | 119.4 Ų | 119.4 | 60% | 0.601 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -64.1 | -43.5 | 176.6 | -75.8 | -100.7 | 57.2 | 0 | 0 | 112.3 | P17 L18 L24 L25 | P17-M21 WeakPolarHBondContact O-CG 3.44Å; P17-M21 PolarHBondContact O-N 2.81Å; L18-M21 PolarHBondContact O-N 3.45Å; M21-L24 PolarHBondContact O-N 3.43Å; M21-L25 PolarHBondContact O-N 2.87Å |
| 22 | I | 66.3 | Low | 54.9 | Low | 108 Ų | 108 | 117.6 Ų | 117.6 | 55% | 0.554 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.7 | -43 | 177.4 | -64.4 | 165.5 | 0 | 0 | 0 | 110.6 | L18 L24 L25 I26 | L18-I22 WeakPolarHBondContact O-CG1 3.36Å; L18-I22 PolarHBondContact O-N 3.22Å; I22-L24 PolarHBondContact O-N 3.11Å; I22-L25 PolarHBondContact O-N 2.92Å; I22-I26 PolarHBondContact O-N 3.13Å |
| 23 | L | 63.5 | Low | 55.4 | Low | 101 Ų | 101 | 118.6 Ų | 118.6 | 53% | 0.529 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -68.2 | -13.5 | 177.7 | -89.1 | 160.6 | 0 | 0 | 0 | 114.8 | I19 Q20 I26 | I19-L23 HydrophobicContact CG2-CD1 4.3Å; I19-L23 PolarHBondContact O-N 2.62Å; Q20-L23 PolarHBondContact O-N 3.32Å; L23-I26 HydrophobicContact CD2-CD1 4.39Å; L23-I26 WeakPolarHBondContact O-CD1 3Å |
| 24 | L | 63.6 | Low | 55.3 | Low | 107 Ų | 107 | 119.7 Ų | 119.7 | 56% | 0.56 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -88 | -38.2 | 169 | -82.1 | 160.7 | 0 | 0 | 0 | 111.9 | Q20 M21 I22 I26 F27 L28 | Q20-L24 PolarHBondContact O-N 2.74Å; Q20-L24 VanDerWaalsContact O-N 3.16Å; M21-L24 PolarHBondContact O-N 3.43Å; I22-L24 PolarHBondContact O-N 3.11Å; L24-I26 PolarHBondContact O-N 2.81Å; L24-F27 PolarHBondContact O-N 2.81Å; L24-L28 PolarHBondContact O-N 3.4Å |
| 25 | L | 61.9 | Low | 55.4 | Low | 111 Ų | 111 | 121.2 Ų | 121.2 | 58% | 0.581 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.1 | -39.9 | -176.4 | -151.7 | 77.5 | 0 | 0 | 0 | 112.5 | M21 I22 F27 L28 L29 | M21-L25 PolarHBondContact O-N 2.87Å; I22-L25 PolarHBondContact O-N 2.92Å; L25-F27 VanDerWaalsContact C-N 3.32Å; L25-F27 PolarHBondContact O-N 2.79Å; L25-L28 PolarHBondContact O-N 3.37Å; L25-L29 PolarHBondContact O-N 2.76Å; L25-L29 VanDerWaalsContact O-N 3.13Å |
| 26 | I | 67.2 | Low | 54.6 | Low | 85 Ų | 85 | 123.5 Ų | 123.5 | 44% | 0.436 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70 | -24.6 | 178.9 | 53 | 56.5 | 0 | 0 | 0 | 113.9 | I22 L23 L24 A30 | I22-I26 PolarHBondContact O-N 3.13Å; L23-I26 HydrophobicContact CD2-CD1 4.39Å; L23-I26 WeakPolarHBondContact O-CD1 3Å; L24-I26 PolarHBondContact O-N 2.81Å; I26-A30 WeakPolarHBondContact O-CB 3.4Å; I26-A30 PolarHBondContact O-N 3.22Å; I26-A30 VanDerWaalsContact O-N 3.08Å |
| 27 | F | 63.8 | Low | 53.5 | Low | 144 Ų | 144 | 119.6 Ų | 119.6 | 63% | 0.632 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -76.9 | -35.7 | 176.5 | -100.7 | -79.1 | 0 | 0 | 0 | 111.6 | L24 L25 S31 | L24-F27 PolarHBondContact O-N 2.81Å; L25-F27 VanDerWaalsContact C-N 3.32Å; L25-F27 PolarHBondContact O-N 2.79Å; F27-S31 PolarHBondContact O-N 3.02Å; F27-S31 PolarHBondContact O-OG 2.9Å |
| 28 | L | 57.2 | Low | 52.4 | Low | 110 Ų | 110 | 122 Ų | 122 | 58% | 0.576 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.2 | -43.6 | 172.4 | -72.2 | 165.5 | 0 | 0 | 0 | 111.6 | L24 L25 S31 L32 | L24-L28 PolarHBondContact O-N 3.4Å; L25-L28 PolarHBondContact O-N 3.37Å; L28-S31 WeakPolarHBondContact O-CB 3.32Å; L28-S31 PolarHBondContact O-N 3.25Å; L28-L32 PolarHBondContact O-N 3.13Å |
| 29 | L | 55.9 | Low | 51.1 | Low | 101 Ų | 101 | 124.8 Ų | 124.8 | 53% | 0.529 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.3 | -40 | 176.6 | -73.8 | 166.4 | 0 | 0 | 0 | 112.6 | L25 S31 L32 L33 | L25-L29 PolarHBondContact O-N 2.76Å; L25-L29 VanDerWaalsContact O-N 3.13Å; L29-S31 VanDerWaalsContact C-N 3.25Å; L29-S31 PolarHBondContact O-N 3.31Å; L29-L32 PolarHBondContact O-N 2.89Å; L29-L33 PolarHBondContact O-N 2.85Å |
| 30 | A | 53 | Low | 49.6 | Very low | 53 Ų | 53 | 123.2 Ų | 123.2 | 44% | 0.438 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -62.6 | -32.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I26 | I26-A30 WeakPolarHBondContact O-CB 3.4Å; I26-A30 PolarHBondContact O-N 3.22Å; I26-A30 VanDerWaalsContact O-N 3.08Å |
| 31 | S | 49.6 | Very low | 48 | Very low | 67 Ų | 67 | 124.7 Ų | 124.7 | 47% | 0.469 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -73.9 | -36.4 | -179.9 | -59.5 | 0 | 0 | 0 | 0 | 112.9 | F27 L28 L29 Q34 | F27-S31 PolarHBondContact O-N 3.02Å; F27-S31 PolarHBondContact O-OG 2.9Å; L28-S31 WeakPolarHBondContact O-CB 3.32Å; L28-S31 PolarHBondContact O-N 3.25Å; L29-S31 VanDerWaalsContact C-N 3.25Å; L29-S31 PolarHBondContact O-N 3.31Å; S31-Q34 PolarHBondContact O-N 2.92Å |
| 32 | L | 46.4 | Very low | 46.3 | Very low | 126 Ų | 126 | 124 Ų | 124 | 66% | 0.66 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68.4 | -35.6 | 176.1 | -101 | 70.2 | 0 | 0 | 0 | 112.5 | L28 L29 Q34 Q35 | L28-L32 PolarHBondContact O-N 3.13Å; L29-L32 PolarHBondContact O-N 2.89Å; L32-Q34 PolarHBondContact O-N 2.73Å; L32-Q34 VanDerWaalsContact O-N 3.15Å; L32-Q35 PolarHBondContact O-N 3.03Å |
| 33 | L | 44.6 | Very low | 44.3 | Very low | 150 Ų | 150 | 124 Ų | 124 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -2.1 | 179.2 | -70.4 | 169.8 | 0 | 0 | 0 | 114.1 | L29 | L29-L33 PolarHBondContact O-N 2.85Š|
| 34 | Q | 40.7 | Very low | 42.5 | Very low | 172 Ų | 172 | 126.3 Ų | 126.3 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 11.4 | 173.6 | -82.5 | -175 | -53.5 | 0 | 0 | 114.2 | S31 L32 | S31-Q34 PolarHBondContact O-N 2.92Å; L32-Q34 PolarHBondContact O-N 2.73Å; L32-Q34 VanDerWaalsContact O-N 3.15Å |
| 35 | Q | 42.4 | Very low | 40.9 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -114.7 | 5.8 | 179.2 | -75.6 | -165.3 | -39.2 | 0 | 0 | 116.1 | L32 | L32-Q35 PolarHBondContact O-N 3.03Š|
| 36 | Y | 30.4 | Very low | 39.3 | Very low | 237 Ų | 237 | 128 Ų | 128 | 93% | 0.929 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -129.9 | 102.5 | 177.1 | -115.2 | -101.3 | 0 | 0 | 0 | 113 | ||
| 37 | G | 30.8 | Very low | 37.4 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | trans | 119.2 | 130.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 38 | T | 29.3 | Very low | 35.7 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | cis | -138.5 | -169.8 | 12.1 | 44.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 39 | E | 28.2 | Very low | 34.4 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | cis | -141.4 | -79.8 | 21.7 | -66.1 | 178.3 | 98 | 0 | 0 | 115.4 | ||||
| 40 | A | 27.4 | Very low | 33 | Very low | 91 Ų | 91 | 141.7 Ų | 141.7 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | trans | -145.5 | -179.2 | -164.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 41 | E | 25.8 | Very low | 31.8 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | cis | -167.8 | 168.5 | 26.3 | -159.8 | -175 | 127.5 | 0 | 0 | 111.3 | ||||
| 42 | S | 23.6 | Very low | 30.6 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | 70.8 | 149.4 | 166.7 | -109.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 43 | S | 24.2 | Very low | 29.9 | Very low | 106 Ų | 106 | 147.2 Ų | 147.2 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | cis | -152.2 | 168.6 | 0.5 | 48.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 44 | D | 27.3 | Very low | 29 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -8.6 | 127.6 | 173.4 | -91 | -59.9 | 0 | 0 | 0 | 122.2 | ||||
| 45 | V | 28.8 | Very low | 28.4 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | trans | -137.7 | 137.7 | 137.6 | -178.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 46 | S | 28.9 | Very low | 28.5 | Very low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -72.5 | 140.8 | -164.1 | -47 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 47 | K | 26.6 | Very low | 28.8 | Very low | 204 Ų | 204 | 141.7 Ų | 141.7 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | -72.7 | 131.9 | 161.1 | -74.7 | 177.7 | 177 | 173.2 | 0 | 110.9 | ||||
| 48 | L | 27.9 | Very low | 28.7 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | trans | -129.7 | 128.4 | 150.5 | -99.2 | 166.9 | 0 | 0 | 0 | 108.3 | ||||
| 49 | Q | 30.5 | Very low | 28.9 | Very low | 180 Ų | 180 | 142 Ų | 142 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -84.3 | 153.7 | 174.6 | -68.8 | -164.7 | -95.4 | 0 | 0 | 110.8 | ||||
| 50 | L | 27.2 | Very low | 29 | Very low | 167 Ų | 167 | 141.7 Ų | 141.7 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -125 | 152.8 | 141 | -160.6 | 56.5 | 0 | 0 | 0 | 109.5 | ||||
| 51 | S | 27.5 | Very low | 29.7 | Very low | 89 Ų | 89 | 144 Ų | 144 | 62% | 0.622 | 79% | 0.793 | S | S | * | * | trans | -84.5 | 135.8 | -159.8 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | I53 | S51-I53 PolarHBondContact O-N 2.88Š| ||
| 52 | S | 24.5 | Very low | 30.6 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -65.6 | 128 | 161.3 | 178.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 53 | I | 31.2 | Very low | 32.2 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -108.8 | 134.2 | 156.5 | -61.4 | 177.7 | 0 | 0 | 0 | 105.7 | S51 | S51-I53 PolarHBondContact O-N 2.88Š| ||
| 54 | K | 26.6 | Very low | 34.1 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | trans | -132.4 | 126.1 | -173.7 | 177.8 | -172.4 | 177.2 | -176.3 | 0 | 109.8 | ||||
| 55 | E | 28 | Very low | 36.9 | Very low | 172 Ų | 172 | 137.9 Ų | 137.9 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -159 | 162.7 | 151.9 | -95.5 | -57.6 | 82.6 | 0 | 0 | 106.9 | ||||
| 56 | P | 44.3 | Very low | 39.9 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 58% | 0.578 | 74% | 0.735 | S | S | * | * | -118.2 | -179.7 | -129.5 | 41.8 | -34.8 | 0 | 0 | 0 | 116.7 | |||||
| 57 | N | 35.5 | Very low | 43 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 90% | 0.898 | 72% | 0.724 | S | S | * | * | trans | 74.8 | 66.3 | 169.6 | -63.2 | -7 | 0 | 0 | 0 | 117.1 | ||||
| 58 | G | 29.4 | Very low | 46.3 | Very low | 69 Ų | 69 | 127.3 Ų | 127.3 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | trans | -145.5 | 146.4 | 147.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q60 | G58-Q60 PolarHBondContact O-N 2.74Å; G58-Q60 VanDerWaalsContact O-N 3.09Å | ||
| 59 | V | 33.3 | Very low | 49.4 | Very low | 143 Ų | 143 | 124.3 Ų | 124.3 | 87% | 0.867 | 68% | 0.679 | S | S | * | * | trans | -73.8 | 99.1 | 165.6 | 176.3 | 0 | 0 | 0 | 0 | 106 | E61 | V59-E61 VanDerWaalsContact C-N 3.26Å; V59-E61 PolarHBondContact O-N 3.05Å | ||
| 60 | Q | 31 | Very low | 52.4 | Low | 185 Ų | 185 | 116 Ų | 116 | 86% | 0.864 | 64% | 0.64 | S | S | * | * | trans | -83.8 | 77.5 | -178.4 | -168.3 | 172.3 | 7.5 | 0 | 0 | 109.7 | G58 S62 | G58-Q60 PolarHBondContact O-N 2.74Å; G58-Q60 VanDerWaalsContact O-N 3.09Å; Q60-S62 PolarHBondContact O-N 3.09Å | ||
| 61 | E | 41.2 | Very low | 55.4 | Low | 140 Ų | 140 | 112.9 Ų | 112.9 | 65% | 0.654 | 63% | 0.633 | S | S | * | * | trans | -53.5 | 114.1 | 170.6 | -162.9 | 160.9 | -89.6 | 0 | 0 | 109.4 | V59 V63 | V59-E61 VanDerWaalsContact C-N 3.26Å; V59-E61 PolarHBondContact O-N 3.05Å; E61-V63 VanDerWaalsContact C-N 3.33Å; E61-V63 PolarHBondContact O-N 2.88Å | ||
| 62 | S | 44.3 | Very low | 58.3 | Low | 104 Ų | 104 | 110.1 Ų | 110.1 | 73% | 0.727 | 62% | 0.618 | S | S | * | * | trans | -85.6 | 74.5 | -164.7 | 60.9 | 0 | 0 | 0 | 0 | 111.5 | Q60 Q64 | Q60-S62 PolarHBondContact O-N 3.09Å; S62-Q64 PolarHBondContact O-N 2.9Å | ||
| 63 | V | 57.2 | Low | 61.6 | Low | 79 Ų | 79 | 113.2 Ų | 113.2 | 48% | 0.479 | 62% | 0.62 | S | S | . | * | trans | -49.5 | 111.7 | 174.7 | -178 | 0 | 0 | 0 | 0 | 109.6 | E61 E65 M90 V92 | E61-V63 VanDerWaalsContact C-N 3.33Å; E61-V63 PolarHBondContact O-N 2.88Å; V63-E65 VanDerWaalsContact C-N 3.34Å; V63-E65 PolarHBondContact O-N 2.83Å; V63-M90 HydrophobicContact CG1-SD 4.11Å; V63-M90 HydrophobicContact CG2-SD 3.92Å; V63-V92 HydrophobicContact CG1-CG2 3.9Å | ||
| 64 | Q | 64.7 | Low | 64.6 | Low | 135 Ų | 135 | 106.8 Ų | 106.8 | 63% | 0.631 | 59% | 0.593 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.9 | 71.8 | -168.2 | -160.9 | 170.6 | 83 | 0 | 0 | 110.7 | S62 K66 L91 | S62-Q64 PolarHBondContact O-N 2.9Å; Q64-K66 PolarHBondContact O-N 2.83Å; Q64-L91 HydrophobicContact CB-CD2 4.5Å |
| 65 | E | 85.9 | Confident | 67.9 | Low | 95 Ų | 95 | 103.7 Ų | 103.7 | 44% | 0.444 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.7 | 116.6 | 178 | -172.4 | 175.5 | -173.8 | 0 | 0 | 111.8 | V63 V92 R94 | V63-E65 VanDerWaalsContact C-N 3.34Å; V63-E65 PolarHBondContact O-N 2.83Å; E65-V92 CarbonylContact C-O 3.58Å; E65-V92 WeakPolarHBondContact CA-O 3.29Å; E65-V92 HydrophobicContact CB-CB 4.37Å; E65-V92 HydrophobicContact CG-CB 4.38Å; E65-V92 HydrophobicContact CG-CG1 4.12Å; E65-R94 IonicContact OE1-CZ 3.16Å; E65-R94 IonicContact OE1-NE 2.74Å; E65-R94 PolarHBondContact OE1-NE 2.84Å; E65-R94 IonicContact OE1-NH2 2.74Å; E65-R94 PolarHBondContact OE1-NH2 2.95Å |
| 66 | K | 92.7 | Very high | 71.2 | Confident | 118 Ų | 118 | 95.8 Ų | 95.8 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 108.4 | 177.7 | -169.3 | -177 | -171.4 | -172.1 | 0 | 110.3 | Q64 L68 V92 W93 R94 | Q64-K66 PolarHBondContact O-N 2.83Å; K66-L68 HydrophobicContact CD-CD2 4.07Å; K66-L68 HydrophobicContact CD-CG 4.48Å; K66-L68 HydrophobicContact CG-CD2 4.14Å; K66-L68 HydrophobicContact CG-CG 4.36Å; K66-V92 PolarHBondContact N-O 2.73Å; K66-W93 WeakPolarHBondContact O-CA 3.45Å; K66-R94 PolarHBondContact O-N 2.59Å |
| 67 | V | 94 | Very high | 73.7 | Confident | 88 Ų | 88 | 95.4 Ų | 95.4 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 132 | 171.3 | -170.2 | 0 | 0 | 0 | 0 | 109.6 | R94 V96 | V67-R94 CarbonylContact C-O 3.59Å; V67-R94 WeakPolarHBondContact CA-O 3.5Å; V67-R94 HydrophobicContact CG2-CB 4.31Å; V67-V96 HydrophobicContact CG1-CG2 3.82Å |
| 68 | L | 94.6 | Very high | 76.6 | Confident | 29 Ų | 29 | 87.4 Ų | 87.4 | 15% | 0.152 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 118.1 | -179.2 | -66.8 | 177.6 | 0 | 0 | 0 | 110.3 | K66 V70 I76 R94 L95 V96 Y177 | K66-L68 HydrophobicContact CD-CD2 4.07Å; K66-L68 HydrophobicContact CD-CG 4.48Å; K66-L68 HydrophobicContact CG-CD2 4.14Å; K66-L68 HydrophobicContact CG-CG 4.36Å; L68-V70 PolarHBondContact O-N 2.95Å; L68-I76 HydrophobicContact CD1-CG2 3.56Å; L68-R94 PolarHBondContact N-O 2.87Å; L68-L95 HydrophobicContact CB-CD2 3.87Å; L68-L95 HydrophobicContact CD1-CD2 3.75Å; L68-L95 HydrophobicContact CG-CD2 4.35Å; L68-V96 PolarHBondContact O-N 3.02Å; L68-Y177 HydrophobicContact CD1-CE1 4.37Å |
| 69 | T | 94.4 | Very high | 79.8 | Confident | 115 Ų | 115 | 85.9 Ų | 85.9 | 71% | 0.706 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 115.7 | 176 | -50.2 | 0 | 0 | 0 | 0 | 110.4 | S71 V96 | T69-S71 PolarHBondContact O-N 2.85Å; T69-V96 CarbonylContact C-O 3.51Å; T69-V96 WeakPolarHBondContact CA-O 3.47Å |
| 70 | V | 93.8 | Very high | 82.7 | Confident | 4 Ų | 4 | 84.3 Ų | 84.3 | 2% | 0.024 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 101.8 | -178.8 | -172 | 0 | 0 | 0 | 0 | 109.9 | L68 L95 V96 A97 I103 Y177 L179 | L68-V70 PolarHBondContact O-N 2.95Å; V70-L95 HydrophobicContact CG2-CB 3.87Å; V70-V96 PolarHBondContact N-O 3.17Å; V70-A97 HydrophobicContact CB-CB 4.29Å; V70-I103 HydrophobicContact CG2-CD1 4.06Å; V70-I103 HydrophobicContact CG2-CG1 4.49Å; V70-Y177 HydrophobicContact CG1-CD2 3.89Å; V70-Y177 HydrophobicContact CG1-CE2 4.16Å; V70-Y177 HydrophobicContact CG2-CD2 4.04Å; V70-Y177 HydrophobicContact CG2-CE2 4.07Å; V70-L179 HydrophobicContact CB-CD2 4.25Å; V70-L179 HydrophobicContact CG1-CD2 3.65Å; V70-L179 HydrophobicContact CG1-CG 3.92Å |
| 71 | S | 89.2 | Confident | 85.7 | Confident | 103 Ų | 103 | 77.7 Ų | 77.7 | 72% | 0.72 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -106.8 | -11.4 | 176.6 | 56.4 | 0 | 0 | 0 | 0 | 114 | T69 L179 | T69-S71 PolarHBondContact O-N 2.85Å; S71-L179 WeakPolarHBondContact O-CD1 3.41Å |
| 72 | G | 89.1 | Confident | 88.3 | Confident | 30 Ų | 30 | 74.2 Ų | 74.2 | 31% | 0.309 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -171 | -143.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 73 | E | 93.5 | Very high | 90.8 | Very high | 177 Ų | 177 | 75.3 Ų | 75.3 | 83% | 0.827 | 41% | 0.41 | S | S | * | . | trans | -85 | 154.4 | 176.4 | -58 | -176.2 | 146.6 | 0 | 0 | 112.3 | Y177 | E73-Y177 CarbonylContact C-O 3.56Å; E73-Y177 WeakPolarHBondContact CA-O 2.94Å | ||
| 74 | G | 94.1 | Very high | 92.5 | Very high | 25 Ų | 25 | 74.6 Ų | 74.6 | 26% | 0.258 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.4 | -172.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H176 Y177 | G74-H176 WeakPolarHBondContact O-CA 2.98Å; G74-Y177 PolarHBondContact N-O 2.94Å; G74-Y177 PolarHBondContact O-N 3.3Å |
| 75 | M | 96.5 | Very high | 94.1 | Very high | 109 Ų | 109 | 68.4 Ų | 68.4 | 54% | 0.537 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 153.8 | 179 | 62.4 | -173.1 | 177.8 | 0 | 0 | 112.4 | L175 Y177 | M75-L175 WeakPolarHBondContact CA-O 3.33Å; M75-Y177 VanDerWaalsContact N-CE1 3.32Å |
| 76 | I | 97.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.036 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 149.8 | 165.1 | 59.1 | 179.6 | 0 | 0 | 0 | 108.5 | L68 W93 V159 L175 Y177 | L68-I76 HydrophobicContact CD1-CG2 3.56Å; I76-W93 HydrophobicContact CB-CD2 4.25Å; I76-W93 HydrophobicContact CB-CG 4.36Å; I76-W93 HydrophobicContact CB-CZ2 4.48Å; I76-W93 HydrophobicContact CD1-CB 3.83Å; I76-W93 HydrophobicContact CD1-CD2 3.76Å; I76-W93 HydrophobicContact CD1-CE3 3.87Å; I76-W93 HydrophobicContact CD1-CG 3.77Å; I76-W93 HydrophobicContact CG2-CD2 4.39Å; I76-W93 HydrophobicContact CG2-CG 4Å; I76-V159 HydrophobicContact CD1-CB 3.84Å; I76-V159 HydrophobicContact CD1-CG1 3.94Å; I76-V159 HydrophobicContact CD1-CG2 3.97Å; I76-L175 HydrophobicContact CD1-CD2 4.27Å; I76-L175 HydrophobicContact CG1-CB 4.04Å; I76-L175 HydrophobicContact CG1-CD2 4.38Å; I76-L175 HydrophobicContact CG1-CG 4.5Å; I76-L175 PolarHBondContact N-O 2.89Å; I76-L175 PolarHBondContact O-N 3.35Å; I76-Y177 HydrophobicContact CG2-CD1 4.45Å; I76-Y177 HydrophobicContact CG2-CE1 4.06Å |
| 77 | H | 97.1 | Very high | 94.6 | Very high | 80 Ų | 80 | 67.2 Ų | 67.2 | 37% | 0.37 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 162.9 | -175 | 55.4 | 85.3 | 0 | 0 | 0 | 110.9 | F81 F173 C174 | H77-F81 HydrophobicContact CB-CB 4.07Å; H77-F81 HydrophobicContact CB-CG 4.24Å; H77-F173 CarbonylContact C-O 3.56Å; H77-F173 WeakPolarHBondContact CA-O 3.26Å; H77-F173 VanDerWaalsContact CB-O 3.24Å; H77-F173 WeakPolarHBondContact CB-O 3.09Å; H77-C174 HydrophobicContact CB-CB 3.98Å |
| 78 | S | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | trans | -59.9 | 152.3 | 165.5 | 53.5 | 0 | 0 | 0 | 0 | 110.3 | F81 F173 | S78-F81 WeakPolarHBondContact O-CB 3.42Å; S78-F81 PolarHBondContact O-N 3.35Å; S78-F173 PolarHBondContact N-O 2.81Å; S78-F173 PolarHBondContact OG-N 2.97Å; S78-F173 VanDerWaalsContact OG-N 3.07Å; S78-F173 PolarHBondContact OG-O 3.34Å | ||
| 79 | P | 95.1 | Very high | 94.4 | Very high | 38 Ų | 38 | 68.5 Ų | 68.5 | 25% | 0.247 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 148.5 | 173.5 | -15.7 | 28.5 | 0 | 0 | 0 | 110.3 | F81 P86 T89 L91 | P79-F81 PolarHBondContact O-N 2.96Å; P79-P86 HydrophobicContact CB-CG 3.87Å; P79-P86 HydrophobicContact CG-CG 4.15Å; P79-T89 HydrophobicContact CG-CG2 4.43Å; P79-L91 HydrophobicContact CG-CD1 3.87Å |
| 80 | D | 94.4 | Very high | 94.5 | Very high | 109 Ų | 109 | 66.7 Ų | 66.7 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 7.2 | 178.1 | -52.8 | -50 | 0 | 0 | 0 | 117 | H83 | D80-H83 WeakPolarHBondContact O-CA 3.27Å; D80-H83 VanDerWaalsContact O-CB 3.27Å; D80-H83 WeakPolarHBondContact O-CB 3.26Å; D80-H83 PolarHBondContact O-N 3.02Å |
| 81 | F | 95.3 | Very high | 94.5 | Very high | 46 Ų | 46 | 67.8 Ų | 67.8 | 20% | 0.202 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.9 | 132.8 | 172.2 | -178.4 | -90.3 | 0 | 0 | 0 | 112.5 | H77 S78 P79 D108 N110 P171 F173 C174 | H77-F81 HydrophobicContact CB-CB 4.07Å; H77-F81 HydrophobicContact CB-CG 4.24Å; S78-F81 WeakPolarHBondContact O-CB 3.42Å; S78-F81 PolarHBondContact O-N 3.35Å; P79-F81 PolarHBondContact O-N 2.96Å; F81-D108 HydrophobicContact CZ-CB 4.42Å; F81-N110 VanDerWaalsContact CE2-O 3.31Å; F81-N110 WeakPolarHBondContact CE2-O 3.26Å; F81-N110 HydrophobicContact CZ-CB 4.13Å; F81-P171 WeakPolarHBondContact CD2-O 3.44Å; F81-P171 HydrophobicContact CE2-CB 4.34Å; F81-F173 WeakPolarHBondContact CD2-O 3.36Å; F81-C174 HydrophobicContact CD1-CB 3.9Å; F81-C174 HydrophobicContact CD2-CB 4.35Å; F81-C174 HydrophobicContact CE1-CB 3.48Å; F81-C174 VanDerWaalsContact CE1-CB 3.48Å; F81-C174 HydrophobicContact CE2-CB 3.98Å; F81-C174 HydrophobicContact CG-CB 4.32Å; F81-C174 HydrophobicContact CZ-CB 3.52Å |
| 82 | P | 95.6 | Very high | 94.9 | Very high | 68 Ų | 68 | 63.4 Ų | 63.4 | 44% | 0.442 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -93.4 | 30.9 | 9.1 | 39.2 | -37.8 | 0 | 0 | 0 | 114.3 | P171 | P82-P171 CarbonylContact C-O 3.53Å; P82-P171 VanDerWaalsContact C-O 3.31Å; P82-P171 WeakPolarHBondContact CA-O 3.49Å; P82-P171 HydrophobicContact CB-CB 3.91Å; P82-P171 VanDerWaalsContact O-CA 3.31Å; P82-P171 WeakPolarHBondContact O-CA 3.14Å; P82-P171 VanDerWaalsContact O-CB 3.28Å; P82-P171 WeakPolarHBondContact O-CB 3.27Å |
| 83 | H | 95.2 | Very high | 95.3 | Very high | 127 Ų | 127 | 62.9 Ų | 62.9 | 59% | 0.588 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -98.4 | 175.1 | 173.8 | -55.6 | -54.4 | 0 | 0 | 0 | 111.9 | D80 Y85 | D80-H83 WeakPolarHBondContact O-CA 3.27Å; D80-H83 VanDerWaalsContact O-CB 3.27Å; D80-H83 WeakPolarHBondContact O-CB 3.26Å; D80-H83 PolarHBondContact O-N 3.02Å; H83-Y85 PolarHBondContact O-N 3.04Å |
| 84 | T | 94.8 | Very high | 95.5 | Very high | 64 Ų | 64 | 57.5 Ų | 57.5 | 39% | 0.393 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 122.3 | 177.2 | -41.9 | 0 | 0 | 0 | 0 | 111.7 | P168 S169 | T84-P168 HydrophobicContact CG2-CB 3.87Å; T84-P168 HydrophobicContact CG2-CG 3.8Å; T84-S169 WeakPolarHBondContact CA-O 3.35Å |
| 85 | Y | 96.6 | Very high | 95.6 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 158.1 | 179.3 | 51.3 | -93 | 0 | 0 | 0 | 112.1 | H83 L113 E114 D124 F161 P168 S169 | H83-Y85 PolarHBondContact O-N 3.04Å; Y85-L113 HydrophobicContact CD1-CD2 4.05Å; Y85-L113 HydrophobicContact CE1-CD2 3.45Å; Y85-L113 VanDerWaalsContact CE1-CD2 3.45Å; Y85-L113 WeakPolarHBondContact OH-CA 3.44Å; Y85-E114 PolarHBondContact OH-N 2.63Å; Y85-E114 VanDerWaalsContact OH-N 3.16Å; Y85-D124 HydrophobicContact CE2-CB 4.43Å; Y85-D124 WeakPolarHBondContact CE2-OD2 3.44Å; Y85-D124 PolarHBondContact OH-OD2 3.08Å; Y85-F161 HydrophobicContact CD2-CE1 4.4Å; Y85-F161 AromaticContact CD2-CZ 3.67Å; Y85-F161 HydrophobicContact CD2-CZ 3.67Å; Y85-F161 HydrophobicContact CE2-CZ 4.04Å; Y85-F161 AromaticContact CG-CZ 3.99Å; Y85-F161 HydrophobicContact CG-CZ 3.99Å; Y85-P168 HydrophobicContact CD2-CB 4.05Å; Y85-P168 HydrophobicContact CE2-CB 3.7Å; Y85-P168 WeakPolarHBondContact O-CB 3.36Å; Y85-S169 VanDerWaalsContact CD1-O 3.31Å; Y85-S169 WeakPolarHBondContact CD1-O 3.24Å; Y85-S169 WeakPolarHBondContact CE1-O 3.34Å; Y85-S169 VanDerWaalsContact CZ-N 3.28Å; Y85-S169 PolarHBondContact OH-N 3.02Å |
| 86 | P | 95.1 | Very high | 95.6 | Very high | 46 Ų | 46 | 53 Ų | 53 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 147.2 | 175.6 | -21.5 | 33.8 | 0 | 0 | 0 | 113.1 | P79 T89 S163 | P79-P86 HydrophobicContact CB-CG 3.87Å; P79-P86 HydrophobicContact CG-CG 4.15Å; P86-T89 PolarHBondContact O-OG1 3.11Å; P86-S163 PolarHBondContact O-OG 2.92Å |
| 87 | R | 94.1 | Very high | 95.4 | Very high | 142 Ų | 142 | 53 Ų | 53 | 54% | 0.536 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -75.6 | 165.9 | 170.5 | -61.5 | -163.4 | -49.6 | -83.5 | 0.9 | 110.8 | T89 D164 E165 Y166 P168 | R87-T89 VanDerWaalsContact C-N 3.29Å; R87-T89 PolarHBondContact O-N 2.88Å; R87-T89 PolarHBondContact O-OG1 3.49Å; R87-D164 WeakPolarHBondContact CA-O 3.44Å; R87-D164 VanDerWaalsContact CB-O 3.24Å; R87-D164 WeakPolarHBondContact CB-O 3.47Å; R87-E165 WeakPolarHBondContact CD-O 3.03Å; R87-E165 PolarHBondContact NE-O 3.28Å; R87-Y166 WeakPolarHBondContact CD-O 3.45Å; R87-P168 HydrophobicContact CG-CB 3.94Å; R87-P168 HydrophobicContact CG-CG 3.6Å |
| 88 | D | 93.4 | Very high | 95.1 | Very high | 120 Ų | 120 | 51.8 Ų | 51.8 | 64% | 0.642 | 27% | 0.274 | S | S | * | . | S | Bend | trans | 48.6 | 49.1 | 176.3 | -172 | 33.2 | 0 | 0 | 0 | 112.3 | S163 D164 | D88-S163 WeakPolarHBondContact CA-O 3.36Å; D88-D164 PolarHBondContact N-O 2.78Å |
| 89 | T | 92.3 | Very high | 94.3 | Very high | 25 Ų | 25 | 58 Ų | 58 | 15% | 0.153 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 115.8 | -170.5 | -69.7 | 0 | 0 | 0 | 0 | 111.4 | P79 P86 R87 L91 F161 I162 S163 | P79-T89 HydrophobicContact CG-CG2 4.43Å; P86-T89 PolarHBondContact O-OG1 3.11Å; R87-T89 VanDerWaalsContact C-N 3.29Å; R87-T89 PolarHBondContact O-N 2.88Å; R87-T89 PolarHBondContact O-OG1 3.49Å; T89-L91 HydrophobicContact CG2-CD1 4.02Å; T89-L91 HydrophobicContact CG2-CG 3.84Å; T89-F161 HydrophobicContact CG2-CD1 4.29Å; T89-F161 HydrophobicContact CG2-CE1 4.16Å; T89-I162 CarbonylContact O-C 3.52Å; T89-I162 VanDerWaalsContact O-CA 3.31Å; T89-I162 WeakPolarHBondContact O-CA 3.32Å; T89-S163 WeakPolarHBondContact CB-OG 3.33Å; T89-S163 PolarHBondContact N-O 3.4Å; T89-S163 PolarHBondContact N-OG 2.89Å; T89-S163 VanDerWaalsContact N-OG 3.16Å; T89-S163 PolarHBondContact O-N 2.73Å |
| 90 | M | 95.2 | Very high | 93.6 | Very high | 77 Ų | 77 | 64 Ų | 64 | 38% | 0.379 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 112.8 | 172.1 | -172.6 | -179.2 | -53.8 | 0 | 0 | 111.2 | V63 F161 I162 | V63-M90 HydrophobicContact CG1-SD 4.11Å; V63-M90 HydrophobicContact CG2-SD 3.92Å; M90-F161 WeakPolarHBondContact CA-O 3.48Å; M90-I162 HydrophobicContact CB-CG1 4.45Å; M90-I162 HydrophobicContact CE-CD1 4.21Å; M90-I162 HydrophobicContact CE-CG1 4.35Å; M90-I162 HydrophobicContact CG-CD1 4.5Å; M90-I162 HydrophobicContact CG-CG1 3.96Å |
| 91 | L | 95.2 | Very high | 93.2 | Very high | 27 Ų | 27 | 64 Ų | 64 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.2 | 177 | -63 | 174.6 | 0 | 0 | 0 | 110.4 | Q64 P79 T89 W93 R160 F161 | Q64-L91 HydrophobicContact CB-CD2 4.5Å; P79-L91 HydrophobicContact CG-CD1 3.87Å; T89-L91 HydrophobicContact CG2-CD1 4.02Å; T89-L91 HydrophobicContact CG2-CG 3.84Å; L91-W93 HydrophobicContact CB-CE3 4.37Å; L91-W93 HydrophobicContact CB-CH2 3.52Å; L91-W93 HydrophobicContact CB-CZ2 3.91Å; L91-W93 HydrophobicContact CB-CZ3 3.76Å; L91-W93 HydrophobicContact CD1-CH2 3.69Å; L91-W93 HydrophobicContact CD1-CZ2 3.81Å; L91-W93 HydrophobicContact CG-CH2 4.26Å; L91-W93 HydrophobicContact CG-CZ2 4.45Å; L91-R160 WeakPolarHBondContact O-CA 3.31Å; L91-F161 HydrophobicContact CB-CB 4.46Å; L91-F161 HydrophobicContact CD1-CD1 4.38Å; L91-F161 PolarHBondContact N-O 3.27Å; L91-F161 PolarHBondContact O-N 2.82Å |
| 92 | V | 96.9 | Very high | 93.1 | Very high | 11 Ų | 11 | 67.5 Ų | 67.5 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 124.5 | 179 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | V63 E65 K66 I158 V159 R160 | V63-V92 HydrophobicContact CG1-CG2 3.9Å; E65-V92 CarbonylContact C-O 3.58Å; E65-V92 WeakPolarHBondContact CA-O 3.29Å; E65-V92 HydrophobicContact CB-CB 4.37Å; E65-V92 HydrophobicContact CG-CB 4.38Å; E65-V92 HydrophobicContact CG-CG1 4.12Å; K66-V92 PolarHBondContact N-O 2.73Å; V92-I158 HydrophobicContact CG1-CG2 3.65Å; V92-V159 CarbonylContact C-O 3.55Å; V92-V159 WeakPolarHBondContact CA-O 3.28Å; V92-R160 HydrophobicContact CG2-CG 4.43Å |
| 93 | W | 97.8 | Very high | 93 | Very high | 19 Ų | 19 | 64.2 Ų | 64.2 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.3 | 174.8 | -59.8 | -90.6 | 0 | 0 | 0 | 109.8 | K66 I76 L91 I158 V159 F161 F173 | K66-W93 WeakPolarHBondContact O-CA 3.45Å; I76-W93 HydrophobicContact CB-CD2 4.25Å; I76-W93 HydrophobicContact CB-CG 4.36Å; I76-W93 HydrophobicContact CB-CZ2 4.48Å; I76-W93 HydrophobicContact CD1-CB 3.83Å; I76-W93 HydrophobicContact CD1-CD2 3.76Å; I76-W93 HydrophobicContact CD1-CE3 3.87Å; I76-W93 HydrophobicContact CD1-CG 3.77Å; I76-W93 HydrophobicContact CG2-CD2 4.39Å; I76-W93 HydrophobicContact CG2-CG 4Å; L91-W93 HydrophobicContact CB-CE3 4.37Å; L91-W93 HydrophobicContact CB-CH2 3.52Å; L91-W93 HydrophobicContact CB-CZ2 3.91Å; L91-W93 HydrophobicContact CB-CZ3 3.76Å; L91-W93 HydrophobicContact CD1-CH2 3.69Å; L91-W93 HydrophobicContact CD1-CZ2 3.81Å; L91-W93 HydrophobicContact CG-CH2 4.26Å; L91-W93 HydrophobicContact CG-CZ2 4.45Å; W93-I158 WeakPolarHBondContact O-CA 3.12Å; W93-V159 HydrophobicContact CB-CB 4.49Å; W93-V159 HydrophobicContact CE3-CB 4.36Å; W93-V159 HydrophobicContact CE3-CG1 4.33Å; W93-V159 PolarHBondContact N-O 3.41Å; W93-V159 PolarHBondContact O-N 2.87Å; W93-F161 HydrophobicContact CH2-CB 4.16Å; W93-F161 HydrophobicContact CZ3-CB 3.77Å; W93-F173 AromaticContact CH2-CZ 3.88Å; W93-F173 HydrophobicContact CH2-CZ 3.88Å; W93-F173 AromaticContact CZ3-CZ 3.9Å; W93-F173 HydrophobicContact CZ3-CZ 3.9Å |
| 94 | R | 96.8 | Very high | 93 | Very high | 63 Ų | 63 | 60.8 Ų | 60.8 | 24% | 0.238 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 102.4 | 172 | -176.6 | -178.8 | -60.1 | -78.1 | -14.2 | 109 | E65 K66 V67 L68 V96 | E65-R94 IonicContact OE1-CZ 3.16Å; E65-R94 IonicContact OE1-NE 2.74Å; E65-R94 PolarHBondContact OE1-NE 2.84Å; E65-R94 IonicContact OE1-NH2 2.74Å; E65-R94 PolarHBondContact OE1-NH2 2.95Å; K66-R94 PolarHBondContact O-N 2.59Å; V67-R94 CarbonylContact C-O 3.59Å; V67-R94 WeakPolarHBondContact CA-O 3.5Å; V67-R94 HydrophobicContact CG2-CB 4.31Å; L68-R94 PolarHBondContact N-O 2.87Å; R94-V96 HydrophobicContact CG-CG2 3.87Å |
| 95 | L | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 127.4 | 175 | -52.7 | -174.7 | 0 | 0 | 0 | 108.8 | L68 V70 I103 L105 Q156 V157 V159 Y177 | L68-L95 HydrophobicContact CB-CD2 3.87Å; L68-L95 HydrophobicContact CD1-CD2 3.75Å; L68-L95 HydrophobicContact CG-CD2 4.35Å; V70-L95 HydrophobicContact CG2-CB 3.87Å; L95-I103 HydrophobicContact CB-CD1 3.85Å; L95-I103 HydrophobicContact CD1-CG2 4.3Å; L95-L105 HydrophobicContact CD1-CD2 3.55Å; L95-Q156 VanDerWaalsContact O-CA 3.27Å; L95-Q156 WeakPolarHBondContact O-CA 3.28Å; L95-V157 HydrophobicContact CB-CB 4.47Å; L95-V157 PolarHBondContact N-O 2.9Å; L95-V157 PolarHBondContact O-N 2.76Å; L95-V159 HydrophobicContact CD1-CG2 4.31Å; L95-Y177 HydrophobicContact CD1-CD1 4.38Å; L95-Y177 HydrophobicContact CD1-CG 4.22Å; L95-Y177 HydrophobicContact CD2-CD1 4.32Å; L95-Y177 HydrophobicContact CD2-CE1 4.37Å |
| 96 | V | 95.8 | Very high | 93.1 | Very high | 39 Ų | 39 | 60.3 Ų | 60.3 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 105.6 | -177.5 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | V67 L68 T69 V70 R94 Q156 | V67-V96 HydrophobicContact CG1-CG2 3.82Å; L68-V96 PolarHBondContact O-N 3.02Å; T69-V96 CarbonylContact C-O 3.51Å; T69-V96 WeakPolarHBondContact CA-O 3.47Å; V70-V96 PolarHBondContact N-O 3.17Å; R94-V96 HydrophobicContact CG-CG2 3.87Å; V96-Q156 HydrophobicContact CB-CG 4.47Å; V96-Q156 HydrophobicContact CG1-CG 4.15Å; V96-Q156 HydrophobicContact CG2-CG 4.21Å |
| 97 | A | 93.9 | Very high | 93.1 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 169.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V70 R101 I103 S155 L179 | V70-A97 HydrophobicContact CB-CB 4.29Å; A97-R101 HydrophobicContact CB-CB 4.19Å; A97-I103 HydrophobicContact CB-CD1 4.05Å; A97-I103 HydrophobicContact CB-CG1 3.85Å; A97-S155 PolarHBondContact N-O 2.88Å; A97-L179 HydrophobicContact CB-CD2 3.65Å |
| 98 | A | 90.1 | Very high | 93.2 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 152.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | R101 | A98-R101 WeakPolarHBondContact O-CB 3.4Å; A98-R101 PolarHBondContact O-N 2.83Å; A98-R101 VanDerWaalsContact O-N 3.1Å |
| 99 | D | 79.4 | Confident | 93.2 | Very high | 131 Ų | 131 | 56.4 Ų | 56.4 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 145.1 | -179.6 | -61 | -42.6 | 0 | 0 | 0 | 112.8 | R101 | D99-R101 PolarHBondContact O-N 2.81Å; D99-R101 VanDerWaalsContact O-N 3.17Å |
| 100 | N | 81.3 | Confident | 93.1 | Very high | 163 Ų | 163 | 59.7 Ų | 59.7 | 87% | 0.872 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 10.4 | -173.6 | -51.1 | -54.1 | 0 | 0 | 0 | 115.6 | ||
| 101 | R | 85.8 | Confident | 93.1 | Very high | 110 Ų | 110 | 56.6 Ų | 56.6 | 42% | 0.415 | 28% | 0.283 | S | S | . | . | trans | -99.7 | 151.1 | 163 | -57.5 | -168.9 | 174.7 | -173.9 | -6 | 110.2 | A97 A98 D99 S155 L179 V182 | A97-R101 HydrophobicContact CB-CB 4.19Å; A98-R101 WeakPolarHBondContact O-CB 3.4Å; A98-R101 PolarHBondContact O-N 2.83Å; A98-R101 VanDerWaalsContact O-N 3.1Å; D99-R101 PolarHBondContact O-N 2.81Å; D99-R101 VanDerWaalsContact O-N 3.17Å; R101-S155 VanDerWaalsContact O-CA 3.26Å; R101-S155 WeakPolarHBondContact O-CA 3.34Å; R101-S155 WeakPolarHBondContact O-CB 3.37Å; R101-L179 HydrophobicContact CB-CD2 4.16Å; R101-V182 HydrophobicContact CG-CG2 4.43Å | ||
| 102 | R | 92 | Very high | 93.2 | Very high | 119 Ų | 119 | 55.3 Ų | 55.3 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | trans | -117.5 | 156.3 | 175.1 | -64.4 | -177.3 | -66.3 | 157.2 | -3.1 | 109.4 | S152 T153 L180 | R102-S152 WeakPolarHBondContact CD-O 3.4Å; R102-T153 VanDerWaalsContact CD-O 3.26Å; R102-T153 WeakPolarHBondContact CD-O 3.34Å; R102-L180 HydrophobicContact CB-CB 4.36Å; R102-L180 HydrophobicContact CB-CD1 3.75Å; R102-L180 PolarHBondContact O-N 2.86Å | ||
| 103 | I | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 131 | -173.8 | -58 | 166.9 | 0 | 0 | 0 | 108 | V70 L95 A97 L105 K151 S152 V157 S178 | V70-I103 HydrophobicContact CG2-CD1 4.06Å; V70-I103 HydrophobicContact CG2-CG1 4.49Å; L95-I103 HydrophobicContact CB-CD1 3.85Å; L95-I103 HydrophobicContact CD1-CG2 4.3Å; A97-I103 HydrophobicContact CB-CD1 4.05Å; A97-I103 HydrophobicContact CB-CG1 3.85Å; I103-L105 HydrophobicContact CG2-CD2 4.24Å; I103-L105 HydrophobicContact CG2-CG 4.21Å; I103-K151 WeakPolarHBondContact O-CA 3.36Å; I103-S152 PolarHBondContact N-OG 2.92Å; I103-S152 PolarHBondContact O-N 3.01Å; I103-V157 HydrophobicContact CB-CG2 4.39Å; I103-V157 HydrophobicContact CD1-CG2 4.31Å; I103-S178 CarbonylContact C-O 3.51Å; I103-S178 WeakPolarHBondContact CA-O 3.34Å |
| 104 | Q | 95.3 | Very high | 93.1 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 145.1 | 166.1 | -174.8 | 169.2 | -5.5 | 0 | 0 | 109.5 | S149 K151 Y177 S178 L180 | Q104-S149 WeakPolarHBondContact CG-OG 3.27Å; Q104-S149 PolarHBondContact NE2-OG 2.8Å; Q104-K151 HydrophobicContact CG-CG 4.44Å; Q104-Y177 VanDerWaalsContact O-CA 3.31Å; Q104-Y177 WeakPolarHBondContact O-CA 3.49Å; Q104-S178 PolarHBondContact N-O 3.02Å; Q104-S178 PolarHBondContact O-N 3.39Å; Q104-L180 HydrophobicContact CB-CD2 3.85Å; Q104-L180 HydrophobicContact CB-CG 3.94Å; Q104-L180 HydrophobicContact CG-CD2 4.44Å |
| 105 | L | 96.5 | Very high | 93 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 130.3 | -177.5 | -67.8 | 166.5 | 0 | 0 | 0 | 109.1 | L95 I103 I128 S149 Q150 V157 L175 H176 | L95-L105 HydrophobicContact CD1-CD2 3.55Å; I103-L105 HydrophobicContact CG2-CD2 4.24Å; I103-L105 HydrophobicContact CG2-CG 4.21Å; L105-I128 HydrophobicContact CD1-CD1 4.25Å; L105-I128 HydrophobicContact CD1-CG2 3.95Å; L105-S149 CarbonylContact O-C 3.31Å; L105-S149 WeakPolarHBondContact O-CA 3.2Å; L105-S149 WeakPolarHBondContact O-CB 3.45Å; L105-S149 PolarHBondContact O-OG 3.34Å; L105-Q150 HydrophobicContact CB-CB 4.23Å; L105-Q150 PolarHBondContact N-O 3.38Å; L105-Q150 PolarHBondContact O-N 2.98Å; L105-V157 HydrophobicContact CD1-CB 4.31Å; L105-V157 HydrophobicContact CD1-CG1 3.77Å; L105-V157 HydrophobicContact CD1-CG2 4.2Å; L105-L175 HydrophobicContact CB-CD1 4.09Å; L105-L175 HydrophobicContact CD2-CD2 4.14Å; L105-L175 HydrophobicContact CD2-CG 4.2Å; L105-H176 CarbonylContact C-O 3.52Å; L105-H176 WeakPolarHBondContact CA-O 3.43Å |
| 106 | T | 95.8 | Very high | 92.8 | Very high | 58 Ų | 58 | 59 Ų | 59 | 36% | 0.356 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 118.9 | -176.1 | -54.3 | 0 | 0 | 0 | 0 | 109.7 | S149 H176 | T106-S149 PolarHBondContact OG1-OG 2.88Å; T106-H176 PolarHBondContact N-O 2.84Å; T106-H176 PolarHBondContact O-N 3.38Å |
| 107 | F | 96.5 | Very high | 92.5 | Very high | 12 Ų | 12 | 61 Ų | 61 | 5% | 0.053 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 147.1 | 175.8 | -72.5 | -86.5 | 0 | 0 | 0 | 110.9 | F111 V126 I128 W140 V146 P147 F173 C174 L175 | F107-F111 AromaticContact CD1-CD2 3.85Å; F107-F111 HydrophobicContact CD1-CD2 3.85Å; F107-F111 AromaticContact CD1-CE2 4Å; F107-F111 HydrophobicContact CD1-CE2 4Å; F107-F111 HydrophobicContact CE1-CD2 4.36Å; F107-F111 HydrophobicContact CE1-CE2 4.04Å; F107-F111 HydrophobicContact CG-CD2 4.45Å; F107-V126 HydrophobicContact CE1-CG1 3.71Å; F107-V126 HydrophobicContact CE1-CG2 4.28Å; F107-V126 HydrophobicContact CZ-CG1 3.78Å; F107-V126 HydrophobicContact CZ-CG2 4.27Å; F107-I128 HydrophobicContact CE2-CD1 3.91Å; F107-I128 HydrophobicContact CZ-CD1 3.95Å; F107-W140 HydrophobicContact CE2-CE3 4.23Å; F107-W140 HydrophobicContact CE2-CZ3 4.42Å; F107-W140 HydrophobicContact CZ-CE3 4.19Å; F107-V146 HydrophobicContact CB-CG1 3.88Å; F107-P147 HydrophobicContact CD2-CB 3.56Å; F107-P147 HydrophobicContact CD2-CG 3.89Å; F107-P147 HydrophobicContact CE2-CB 3.79Å; F107-P147 HydrophobicContact CE2-CG 4.09Å; F107-P147 HydrophobicContact CG-CB 4.25Å; F107-P147 HydrophobicContact CG-CG 4.14Å; F107-F173 HydrophobicContact CD1-CB 4.42Å; F107-F173 HydrophobicContact CD1-CD2 4.27Å; F107-F173 HydrophobicContact CE1-CB 4.5Å; F107-F173 AromaticContact CE1-CD2 3.9Å; F107-F173 HydrophobicContact CE1-CD2 3.9Å; F107-F173 HydrophobicContact CE1-CG 4.46Å; F107-C174 WeakPolarHBondContact CA-O 3.14Å; F107-L175 HydrophobicContact CD1-CB 4.24Å; F107-L175 HydrophobicContact CD1-CD1 3.89Å; F107-L175 HydrophobicContact CD2-CD1 3.72Å; F107-L175 HydrophobicContact CE1-CB 4.18Å; F107-L175 HydrophobicContact CE1-CD1 3.92Å; F107-L175 HydrophobicContact CE1-CD2 4.31Å; F107-L175 HydrophobicContact CE1-CG 4.37Å; F107-L175 HydrophobicContact CE2-CD1 3.78Å; F107-L175 HydrophobicContact CG-CD1 3.8Å; F107-L175 HydrophobicContact CZ-CD1 3.88Å; F107-L175 HydrophobicContact CZ-CD2 4.17Å |
| 108 | D | 94.9 | Very high | 92.3 | Very high | 40 Ų | 40 | 68.4 Ų | 68.4 | 21% | 0.214 | 35% | 0.349 | C | S | . | . | trans | -65.9 | 153 | 169.2 | -167.5 | -86.9 | 0 | 0 | 0 | 110.8 | F81 N110 V146 C174 H176 | F81-D108 HydrophobicContact CZ-CB 4.42Å; D108-N110 PolarHBondContact O-N 2.88Å; D108-N110 WeakPolarHBondContact OD1-CB 3.43Å; D108-N110 PolarHBondContact OD1-N 2.85Å; D108-N110 PolarHBondContact OD1-ND2 2.88Å; D108-V146 WeakPolarHBondContact O-CG1 3.42Å; D108-C174 HydrophobicContact CB-CB 3.84Å; D108-C174 PolarHBondContact N-O 3.49Å; D108-H176 IonicContact OD2-CE1 3.21Å | ||
| 109 | E | 93.4 | Very high | 92.1 | Very high | 173 Ų | 173 | 68.9 Ų | 68.9 | 81% | 0.808 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -61.9 | -25.3 | 178.3 | -64 | -171.6 | 160.8 | 0 | 0 | 112.4 | F111 V146 | E109-F111 VanDerWaalsContact C-N 3.35Å; E109-F111 PolarHBondContact O-N 2.95Å; E109-F111 VanDerWaalsContact O-N 3.13Å; E109-V146 VanDerWaalsContact O-CG2 3.31Å; E109-V146 WeakPolarHBondContact O-CG2 3.07Å |
| 110 | N | 90.7 | Very high | 92.5 | Very high | 94 Ų | 94 | 68 Ų | 68 | 50% | 0.503 | 35% | 0.353 | S | S | . | . | trans | -85.6 | 73.9 | 175.8 | -56.2 | -86.2 | 0 | 0 | 0 | 109.8 | F81 D108 P171 | F81-N110 VanDerWaalsContact CE2-O 3.31Å; F81-N110 WeakPolarHBondContact CE2-O 3.26Å; F81-N110 HydrophobicContact CZ-CB 4.13Å; D108-N110 PolarHBondContact O-N 2.88Å; D108-N110 WeakPolarHBondContact OD1-CB 3.43Å; D108-N110 PolarHBondContact OD1-N 2.85Å; D108-N110 PolarHBondContact OD1-ND2 2.88Å; N110-P171 HydrophobicContact CB-CB 4.4Å; N110-P171 HydrophobicContact CB-CG 3.89Å; N110-P171 VanDerWaalsContact O-CG 3.3Å; N110-P171 WeakPolarHBondContact O-CG 3.49Å | ||
| 111 | F | 96.7 | Very high | 93.1 | Very high | 13 Ų | 13 | 61.1 Ų | 61.1 | 6% | 0.057 | 32% | 0.318 | C | S | . | . | trans | -108.1 | 127.2 | 174.9 | -176.7 | -90.4 | 0 | 0 | 0 | 111.5 | F107 E109 L113 V126 W140 G142 V146 P147 F173 | F107-F111 AromaticContact CD1-CD2 3.85Å; F107-F111 HydrophobicContact CD1-CD2 3.85Å; F107-F111 AromaticContact CD1-CE2 4Å; F107-F111 HydrophobicContact CD1-CE2 4Å; F107-F111 HydrophobicContact CE1-CD2 4.36Å; F107-F111 HydrophobicContact CE1-CE2 4.04Å; F107-F111 HydrophobicContact CG-CD2 4.45Å; E109-F111 VanDerWaalsContact C-N 3.35Å; E109-F111 PolarHBondContact O-N 2.95Å; E109-F111 VanDerWaalsContact O-N 3.13Å; F111-L113 HydrophobicContact CE2-CD1 4.47Å; F111-L113 HydrophobicContact CE2-CG 4.47Å; F111-L113 HydrophobicContact CZ-CD1 4.08Å; F111-L113 HydrophobicContact CZ-CG 4.09Å; F111-V126 HydrophobicContact CE2-CG1 3.87Å; F111-V126 HydrophobicContact CZ-CG1 4.14Å; F111-W140 HydrophobicContact CZ-CB 3.99Å; F111-G142 WeakPolarHBondContact CE1-O 3.41Å; F111-V146 HydrophobicContact CB-CG1 4.35Å; F111-V146 HydrophobicContact CB-CG2 4.3Å; F111-P147 HydrophobicContact CD1-CG 4.39Å; F111-P147 HydrophobicContact CD2-CG 4.28Å; F111-P147 HydrophobicContact CE1-CG 4.17Å; F111-P147 HydrophobicContact CE2-CG 4.06Å; F111-P147 HydrophobicContact CG-CG 4.44Å; F111-P147 HydrophobicContact CZ-CG 4.01Å; F111-F173 HydrophobicContact CD2-CB 3.7Å; F111-F173 HydrophobicContact CE2-CB 3.78Å | ||
| 112 | G | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -164.8 | 110.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G142 G172 | G112-G142 WeakPolarHBondContact CA-O 3.17Å; G112-G172 PolarHBondContact N-O 3.35Å; G112-G172 WeakPolarHBondContact O-CA 3.05Å; G112-G172 PolarHBondContact O-N 3.34Å |
| 113 | L | 97.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | trans | -110.8 | -175.8 | 167.1 | -55.8 | -177.8 | 0 | 0 | 0 | 109.7 | Y85 F111 D124 V126 C141 G142 F161 S169 F173 | Y85-L113 HydrophobicContact CD1-CD2 4.05Å; Y85-L113 HydrophobicContact CE1-CD2 3.45Å; Y85-L113 VanDerWaalsContact CE1-CD2 3.45Å; Y85-L113 WeakPolarHBondContact OH-CA 3.44Å; F111-L113 HydrophobicContact CE2-CD1 4.47Å; F111-L113 HydrophobicContact CE2-CG 4.47Å; F111-L113 HydrophobicContact CZ-CD1 4.08Å; F111-L113 HydrophobicContact CZ-CG 4.09Å; L113-D124 HydrophobicContact CB-CB 4.35Å; L113-V126 HydrophobicContact CD1-CB 4.43Å; L113-V126 HydrophobicContact CD1-CG1 4.24Å; L113-C141 HydrophobicContact CB-CB 4.43Å; L113-G142 PolarHBondContact N-O 2.71Å; L113-G142 CarbonylContact O-C 3.6Å; L113-G142 WeakPolarHBondContact O-CA 3.36Å; L113-F161 HydrophobicContact CD1-CD2 4.49Å; L113-F161 HydrophobicContact CD1-CE2 4.12Å; L113-F161 HydrophobicContact CD2-CE2 3.83Å; L113-F161 HydrophobicContact CD2-CZ 4.5Å; L113-S169 WeakPolarHBondContact O-CB 3.38Å; L113-S169 PolarHBondContact O-OG 3.48Å; L113-F173 HydrophobicContact CD2-CD1 4.48Å | ||
| 114 | E | 96.1 | Very high | 93.6 | Very high | 35 Ų | 35 | 58.1 Ų | 58.1 | 16% | 0.164 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -60 | 143.1 | 171.9 | -164.8 | -173.3 | -172 | 0 | 0 | 111.1 | Y85 Y123 D124 C141 G142 F167 | Y85-E114 PolarHBondContact OH-N 2.63Å; Y85-E114 VanDerWaalsContact OH-N 3.16Å; E114-Y123 WeakPolarHBondContact OE2-CB 3.24Å; E114-D124 HydrophobicContact CB-CB 3.95Å; E114-C141 WeakPolarHBondContact O-CB 3.42Å; E114-G142 WeakPolarHBondContact O-CA 3.4Å; E114-G142 PolarHBondContact O-N 3.09Å; E114-F167 HydrophobicContact CG-CB 4.34Å; E114-F167 WeakPolarHBondContact OE1-CB 3.4Å |
| 115 | D | 94.1 | Very high | 93.7 | Very high | 82 Ų | 82 | 56.1 Ų | 56.1 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -70 | 147.8 | -178.3 | -83.8 | -40.5 | 0 | 0 | 0 | 113.3 | G142 S143 | D115-G142 VanDerWaalsContact OD1-CA 3.23Å; D115-G142 WeakPolarHBondContact OD1-CA 3.31Å; D115-S143 PolarHBondContact OD1-N 3.21Å |
| 116 | P | 93.2 | Very high | 93.8 | Very high | 51 Ų | 51 | 56.1 Ų | 56.1 | 33% | 0.331 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 137.7 | -175.8 | 25 | -33.6 | 0 | 0 | 0 | 114.5 | ||
| 117 | E | 89.1 | Confident | 93.9 | Very high | 81 Ų | 81 | 53.8 Ų | 53.8 | 38% | 0.379 | 29% | 0.286 | S | S | . | . | B | Isolated β-bridge | trans | -82.3 | 127.5 | 167.8 | -176.6 | 177 | -92.1 | 0 | 0 | 110.4 | G119 I120 K122 Y123 | E117-G119 PolarHBondContact O-N 3.19Å; E117-I120 PolarHBondContact N-O 2.96Å; E117-I120 WeakPolarHBondContact O-CB 3.35Å; E117-I120 PolarHBondContact O-N 2.96Å; E117-K122 HydrophobicContact CB-CD 4.43Å; E117-K122 IonicContact OE1-NZ 3.72Å; E117-K122 VanDerWaalsContact OE2-CD 3.26Å; E117-K122 WeakPolarHBondContact OE2-CD 3.34Å; E117-K122 WeakPolarHBondContact OE2-CE 3.43Å; E117-K122 IonicContact OE2-NZ 3.63Å; E117-K122 PolarHBondContact OE2-NZ 3.21Å; E117-Y123 HydrophobicContact CB-CE2 3.88Å; E117-Y123 PolarHBondContact OE1-OH 3.49Å |
| 118 | D | 88.8 | Confident | 93.9 | Very high | 163 Ų | 163 | 53.2 Ų | 53.2 | 87% | 0.872 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 24.1 | -176.9 | -74.4 | -32.1 | 0 | 0 | 0 | 114.8 | ||
| 119 | G | 86.7 | Confident | 93.9 | Very high | 66 Ų | 66 | 53.4 Ų | 53.4 | 68% | 0.68 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 15.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | E117 | E117-G119 PolarHBondContact O-N 3.19Š|
| 120 | I | 88.3 | Confident | 93.8 | Very high | 111 Ų | 111 | 45.1 Ų | 45.1 | 57% | 0.569 | 24% | 0.244 | S | C | * | . | B | Isolated β-bridge | trans | -117.6 | 128.6 | -179 | -57 | 175.8 | 0 | 0 | 0 | 110.3 | E117 K122 | E117-I120 PolarHBondContact N-O 2.96Å; E117-I120 WeakPolarHBondContact O-CB 3.35Å; E117-I120 PolarHBondContact O-N 2.96Å; I120-K122 VanDerWaalsContact C-N 3.34Å; I120-K122 HydrophobicContact CG2-CB 4.44Å; I120-K122 PolarHBondContact O-N 3.48Å |
| 121 | C | 92.7 | Very high | 93.8 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 13% | 0.128 | 23% | 0.231 | C | C | . | . | trans | -74.3 | 86.7 | 170.4 | -61 | 0 | 0 | 0 | 0 | 110.6 | F125 R139 W140 C141 | C121-F125 HydrophobicContact CB-CB 3.96Å; C121-R139 HydrophobicContact CB-CG 3.98Å; C121-R139 VanDerWaalsContact O-CD 3.32Å; C121-R139 WeakPolarHBondContact O-CD 3.42Å; C121-R139 PolarHBondContact O-NH1 2.98Å; C121-W140 VanDerWaalsContact SG-C 3.58Å; C121-C141 WeakPolarHBondContact CA-SG 3.25Å; C121-C141 HydrophobicContact CB-CB 3.64Å; C121-C141 WeakPolarHBondContact CB-SG 3.4Å; C121-C141 WeakPolarHBondContact SG-CB 3.14Å; C121-C141 PolarHBondContact SG-N 2.81Å; C121-C141 CovalentContact SG-SG 2.04Å; C121-C141 PolarHBondContact SG-SG 3.46Å | ||
| 122 | K | 92.6 | Very high | 93.1 | Very high | 103 Ų | 103 | 45.4 Ų | 45.4 | 45% | 0.448 | 25% | 0.251 | S | S | . | . | trans | -102.4 | -40.3 | -169.9 | 175.6 | -166.7 | 168.3 | -160.3 | 0 | 113.1 | E117 I120 | E117-K122 HydrophobicContact CB-CD 4.43Å; E117-K122 IonicContact OE1-NZ 3.72Å; E117-K122 VanDerWaalsContact OE2-CD 3.26Å; E117-K122 WeakPolarHBondContact OE2-CD 3.34Å; E117-K122 WeakPolarHBondContact OE2-CE 3.43Å; E117-K122 IonicContact OE2-NZ 3.63Å; E117-K122 PolarHBondContact OE2-NZ 3.21Å; I120-K122 VanDerWaalsContact C-N 3.34Å; I120-K122 HydrophobicContact CG2-CB 4.44Å; I120-K122 PolarHBondContact O-N 3.48Å | ||
| 123 | Y | 93.7 | Very high | 92.4 | Very high | 61 Ų | 61 | 50.8 Ų | 50.8 | 24% | 0.239 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -90 | -105.1 | -177.5 | -54.7 | -62.2 | 0 | 0 | 0 | 109 | E114 E117 F125 D164 | E114-Y123 WeakPolarHBondContact OE2-CB 3.24Å; E117-Y123 HydrophobicContact CB-CE2 3.88Å; E117-Y123 PolarHBondContact OE1-OH 3.49Å; Y123-F125 VanDerWaalsContact O-CD1 3.25Å; Y123-F125 WeakPolarHBondContact O-CD1 3.4Å; Y123-D164 WeakPolarHBondContact CD1-OD2 3.44Å |
| 124 | D | 97.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.011 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -73.9 | 132.9 | 172.7 | -61.6 | -16.5 | 0 | 0 | 0 | 112.1 | Y85 L113 E114 C141 I162 S163 D164 | Y85-D124 HydrophobicContact CE2-CB 4.43Å; Y85-D124 WeakPolarHBondContact CE2-OD2 3.44Å; Y85-D124 PolarHBondContact OH-OD2 3.08Å; L113-D124 HydrophobicContact CB-CB 4.35Å; E114-D124 HydrophobicContact CB-CB 3.95Å; D124-C141 WeakPolarHBondContact O-CB 3.43Å; D124-I162 WeakPolarHBondContact CA-O 3.36Å; D124-S163 WeakPolarHBondContact OD1-CA 3.34Å; D124-S163 WeakPolarHBondContact OD1-CB 3.25Å; D124-D164 PolarHBondContact OD1-N 3.43Å |
| 125 | F | 97.7 | Very high | 91.4 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 6% | 0.057 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 155.6 | 173.7 | 60.9 | -92.9 | 0 | 0 | 0 | 114.7 | C121 Y123 E127 R139 W140 F161 I162 | C121-F125 HydrophobicContact CB-CB 3.96Å; Y123-F125 VanDerWaalsContact O-CD1 3.25Å; Y123-F125 WeakPolarHBondContact O-CD1 3.4Å; F125-E127 HydrophobicContact CD2-CB 4.03Å; F125-E127 HydrophobicContact CE2-CB 4.17Å; F125-R139 HydrophobicContact CB-CG 3.77Å; F125-R139 HydrophobicContact CD2-CG 3.63Å; F125-R139 VanDerWaalsContact CE1-NH1 3.32Å; F125-R139 HydrophobicContact CE2-CG 4.42Å; F125-R139 VanDerWaalsContact CE2-CZ 3.43Å; F125-R139 HydrophobicContact CG-CG 3.83Å; F125-R139 VanDerWaalsContact CZ-CZ 3.44Å; F125-R139 VanDerWaalsContact CZ-NH1 3.28Å; F125-W140 WeakPolarHBondContact CA-O 3.39Å; F125-F161 WeakPolarHBondContact O-CA 3.36Å; F125-F161 WeakPolarHBondContact O-CD2 3.45Å; F125-I162 HydrophobicContact CE1-CB 4.12Å; F125-I162 HydrophobicContact CE1-CD1 4.46Å; F125-I162 HydrophobicContact CE1-CG2 4.08Å; F125-I162 HydrophobicContact CE2-CB 4.23Å; F125-I162 HydrophobicContact CE2-CD1 3.97Å; F125-I162 HydrophobicContact CE2-CG1 4.47Å; F125-I162 HydrophobicContact CZ-CB 3.95Å; F125-I162 HydrophobicContact CZ-CD1 3.61Å; F125-I162 HydrophobicContact CZ-CG1 4.29Å; F125-I162 HydrophobicContact CZ-CG2 4.26Å; F125-I162 PolarHBondContact N-O 3.43Å; F125-I162 PolarHBondContact O-N 3.24Å |
| 126 | V | 97.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135.2 | 160.6 | 62.6 | 0 | 0 | 0 | 0 | 109.7 | F107 F111 L113 R139 W140 V159 R160 F161 F173 | F107-V126 HydrophobicContact CE1-CG1 3.71Å; F107-V126 HydrophobicContact CE1-CG2 4.28Å; F107-V126 HydrophobicContact CZ-CG1 3.78Å; F107-V126 HydrophobicContact CZ-CG2 4.27Å; F111-V126 HydrophobicContact CE2-CG1 3.87Å; F111-V126 HydrophobicContact CZ-CG1 4.14Å; L113-V126 HydrophobicContact CD1-CB 4.43Å; L113-V126 HydrophobicContact CD1-CG1 4.24Å; V126-R139 CarbonylContact O-C 3.57Å; V126-R139 WeakPolarHBondContact O-CA 3.43Å; V126-W140 HydrophobicContact CG1-CB 4.29Å; V126-W140 HydrophobicContact CG1-CE3 4.48Å; V126-W140 PolarHBondContact N-O 2.86Å; V126-W140 PolarHBondContact O-N 2.93Å; V126-V159 HydrophobicContact CG2-CG1 3.89Å; V126-R160 CarbonylContact C-O 3.52Å; V126-R160 WeakPolarHBondContact CA-O 3.28Å; V126-F161 HydrophobicContact CB-CD2 4.48Å; V126-F173 HydrophobicContact CG2-CD2 4.48Å; V126-F173 HydrophobicContact CG2-CE1 4.47Å; V126-F173 HydrophobicContact CG2-CE2 4.15Å; V126-F173 HydrophobicContact CG2-CZ 4.15Å |
| 127 | E | 97.3 | Very high | 91.1 | Very high | 9 Ų | 9 | 60.1 Ų | 60.1 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.8 | -176.8 | 179.9 | 172.6 | 77.6 | 0 | 0 | 110 | F125 I136 G138 R139 V159 R160 | F125-E127 HydrophobicContact CD2-CB 4.03Å; F125-E127 HydrophobicContact CE2-CB 4.17Å; E127-I136 HydrophobicContact CG-CG2 3.9Å; E127-G138 WeakPolarHBondContact CA-O 3.22Å; E127-R139 HydrophobicContact CB-CB 4.34Å; E127-R139 HydrophobicContact CB-CG 4.25Å; E127-R139 HydrophobicContact CG-CB 4.36Å; E127-R139 IonicContact OE1-NH2 3.21Å; E127-R139 IonicContact OE2-CZ 3.14Å; E127-R139 IonicContact OE2-NE 2.88Å; E127-R139 PolarHBondContact OE2-NE 2.99Å; E127-R139 IonicContact OE2-NH2 3.09Å; E127-R139 PolarHBondContact OE2-NH2 2.97Å; E127-V159 CarbonylContact O-C 3.56Å; E127-V159 WeakPolarHBondContact O-CA 3.36Å; E127-R160 HydrophobicContact CB-CB 4.37Å; E127-R160 PolarHBondContact N-O 3.43Å; E127-R160 PolarHBondContact O-N 3.26Å; E127-R160 IonicContact OE1-CZ 3.57Å; E127-R160 IonicContact OE1-NH1 2.73Å; E127-R160 PolarHBondContact OE1-NH1 2.95Å |
| 128 | I | 97.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 128.7 | 178.9 | -63 | 172.9 | 0 | 0 | 0 | 108.7 | L105 F107 I136 L137 G138 W140 Q150 V157 V159 L175 | L105-I128 HydrophobicContact CD1-CD1 4.25Å; L105-I128 HydrophobicContact CD1-CG2 3.95Å; F107-I128 HydrophobicContact CE2-CD1 3.91Å; F107-I128 HydrophobicContact CZ-CD1 3.95Å; I128-I136 CarbonylContact O-C 3.55Å; I128-L137 HydrophobicContact CG2-CB 4.29Å; I128-L137 HydrophobicContact CG2-CD1 3.95Å; I128-L137 HydrophobicContact CG2-CG 4.36Å; I128-L137 PolarHBondContact O-N 2.96Å; I128-G138 PolarHBondContact N-O 2.98Å; I128-G138 PolarHBondContact O-N 3.49Å; I128-W140 HydrophobicContact CB-CH2 4.17Å; I128-W140 HydrophobicContact CB-CZ3 3.83Å; I128-W140 HydrophobicContact CD1-CH2 4.06Å; I128-W140 HydrophobicContact CD1-CZ3 3.63Å; I128-W140 HydrophobicContact CG1-CH2 4.34Å; I128-W140 HydrophobicContact CG1-CZ3 3.68Å; I128-Q150 HydrophobicContact CD1-CG 4.11Å; I128-V157 HydrophobicContact CG2-CG1 3.46Å; I128-V157 VanDerWaalsContact CG2-CG1 3.46Å; I128-V159 HydrophobicContact CG1-CG1 4.15Å; I128-V159 HydrophobicContact CG1-CG2 4.21Å; I128-L175 HydrophobicContact CD1-CD2 3.97Å |
| 129 | E | 95.1 | Very high | 91.6 | Very high | 44 Ų | 44 | 54.1 Ų | 54.1 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 127.5 | -172.7 | 177.2 | -168.4 | 153.9 | 0 | 0 | 110.2 | P131 T135 I158 R160 | E129-P131 WeakPolarHBondContact O-CD 3.3Å; E129-T135 WeakPolarHBondContact CA-O 3.5Å; E129-I158 HydrophobicContact CB-CB 4.3Å; E129-I158 PolarHBondContact N-O 3.27Å; E129-I158 PolarHBondContact O-N 3.46Å; E129-R160 IonicContact OE2-CZ 2.64Å; E129-R160 VanDerWaalsContact OE2-CZ 3.26Å; E129-R160 IonicContact OE2-NH1 2.82Å; E129-R160 PolarHBondContact OE2-NH1 3.1Å; E129-R160 IonicContact OE2-NH2 2.73Å; E129-R160 PolarHBondContact OE2-NH2 2.04Å |
| 130 | D | 92.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 110.4 | 170.9 | -167.9 | -44.1 | 0 | 0 | 0 | 109.5 | T132 K134 T135 L137 T153 G154 | D130-T132 PolarHBondContact O-N 3.46Å; D130-T132 WeakPolarHBondContact OD1-CA 3.49Å; D130-T132 WeakPolarHBondContact OD1-CB 3.41Å; D130-T132 PolarHBondContact OD1-N 3.01Å; D130-T132 PolarHBondContact OD1-OG1 3.29Å; D130-K134 VanDerWaalsContact O-CA 3.29Å; D130-K134 WeakPolarHBondContact O-CA 3.35Å; D130-K134 PolarHBondContact O-N 2.97Å; D130-T135 PolarHBondContact N-O 3.21Å; D130-T135 PolarHBondContact O-N 3.37Å; D130-L137 HydrophobicContact CB-CD1 4.48Å; D130-L137 HydrophobicContact CB-CD2 4.12Å; D130-L137 HydrophobicContact CB-CG 4.34Å; D130-T153 WeakPolarHBondContact OD2-CA 3.28Å; D130-T153 WeakPolarHBondContact OD2-CB 3.49Å; D130-T153 PolarHBondContact OD2-N 2.9Å; D130-G154 PolarHBondContact OD2-N 2.97Å |
| 131 | P | 89.8 | Confident | 92.5 | Very high | 35 Ų | 35 | 48.7 Ų | 48.7 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -8.9 | -177.8 | 31.6 | -36.8 | 0 | 0 | 0 | 113.8 | E129 Q156 I158 | E129-P131 WeakPolarHBondContact O-CD 3.3Å; P131-Q156 HydrophobicContact CG-CB 3.76Å; P131-I158 HydrophobicContact CB-CD1 4.3Å |
| 132 | T | 82.8 | Confident | 92.6 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 47% | 0.472 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -54 | 178.5 | -36.6 | 0 | 0 | 0 | 0 | 110 | D130 G154 | D130-T132 PolarHBondContact O-N 3.46Å; D130-T132 WeakPolarHBondContact OD1-CA 3.49Å; D130-T132 WeakPolarHBondContact OD1-CB 3.41Å; D130-T132 PolarHBondContact OD1-N 3.01Å; D130-T132 PolarHBondContact OD1-OG1 3.29Å; T132-G154 WeakPolarHBondContact OG1-CA 3.32Å |
| 133 | E | 79.8 | Confident | 92.5 | Very high | 113 Ų | 113 | 46.3 Ų | 46.3 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -14.4 | 175.6 | -61.6 | -56.2 | 140.7 | 0 | 0 | 112.4 | T135 T153 | E133-T135 VanDerWaalsContact C-N 3.29Å; E133-T135 HydrophobicContact CB-CG2 4.01Å; E133-T153 HydrophobicContact CG-CG2 4.07Å |
| 134 | K | 85.6 | Confident | 91.9 | Very high | 178 Ų | 178 | 51.3 Ų | 51.3 | 77% | 0.774 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 38.4 | -172.9 | -52.3 | 176 | -174.9 | 172.7 | 0 | 112.3 | D130 | D130-K134 VanDerWaalsContact O-CA 3.29Å; D130-K134 WeakPolarHBondContact O-CA 3.35Å; D130-K134 PolarHBondContact O-N 2.97Å |
| 135 | T | 87.7 | Confident | 91.3 | Very high | 63 Ų | 63 | 55.7 Ų | 55.7 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 139.8 | -179.2 | 50.6 | 0 | 0 | 0 | 0 | 110.5 | E129 D130 E133 L137 | E129-T135 WeakPolarHBondContact CA-O 3.5Å; D130-T135 PolarHBondContact N-O 3.21Å; D130-T135 PolarHBondContact O-N 3.37Å; E133-T135 VanDerWaalsContact C-N 3.29Å; E133-T135 HydrophobicContact CB-CG2 4.01Å; T135-L137 PolarHBondContact O-N 3.39Å |
| 136 | I | 90.4 | Very high | 90.9 | Very high | 97 Ų | 97 | 58.2 Ų | 58.2 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 120.1 | 163 | -66.2 | 162.3 | 0 | 0 | 0 | 106.2 | E127 I128 G138 | E127-I136 HydrophobicContact CG-CG2 3.9Å; I128-I136 CarbonylContact O-C 3.55Å; I136-G138 VanDerWaalsContact C-N 3.34Å; I136-G138 WeakPolarHBondContact CG2-O 3.47Å |
| 137 | L | 91 | Very high | 90.6 | Very high | 28 Ų | 28 | 58.8 Ų | 58.8 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | -35.3 | 174.9 | -57.8 | -172.6 | 0 | 0 | 0 | 110.4 | I128 D130 T135 Q150 | I128-L137 HydrophobicContact CG2-CB 4.29Å; I128-L137 HydrophobicContact CG2-CD1 3.95Å; I128-L137 HydrophobicContact CG2-CG 4.36Å; I128-L137 PolarHBondContact O-N 2.96Å; D130-L137 HydrophobicContact CB-CD1 4.48Å; D130-L137 HydrophobicContact CB-CD2 4.12Å; D130-L137 HydrophobicContact CB-CG 4.34Å; T135-L137 PolarHBondContact O-N 3.39Å; L137-Q150 HydrophobicContact CD1-CB 4.44Å |
| 138 | G | 93.4 | Very high | 90.2 | Very high | 16 Ų | 16 | 60.3 Ų | 60.3 | 17% | 0.165 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.9 | 175.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E127 I128 I136 W140 | E127-G138 WeakPolarHBondContact CA-O 3.22Å; I128-G138 PolarHBondContact N-O 2.98Å; I128-G138 PolarHBondContact O-N 3.49Å; I136-G138 VanDerWaalsContact C-N 3.34Å; I136-G138 WeakPolarHBondContact CG2-O 3.47Å; G138-W140 VanDerWaalsContact C-CH2 3.46Å; G138-W140 VanDerWaalsContact O-CZ3 3.22Å; G138-W140 WeakPolarHBondContact O-CZ3 3.31Å |
| 139 | R | 95.2 | Very high | 89.9 | Confident | 102 Ų | 102 | 62.4 Ų | 62.4 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 131.5 | 176.3 | -178.7 | -170.3 | -69.6 | -152 | -6.1 | 108.5 | C121 F125 V126 E127 | C121-R139 HydrophobicContact CB-CG 3.98Å; C121-R139 VanDerWaalsContact O-CD 3.32Å; C121-R139 WeakPolarHBondContact O-CD 3.42Å; C121-R139 PolarHBondContact O-NH1 2.98Å; F125-R139 HydrophobicContact CB-CG 3.77Å; F125-R139 HydrophobicContact CD2-CG 3.63Å; F125-R139 VanDerWaalsContact CE1-NH1 3.32Å; F125-R139 HydrophobicContact CE2-CG 4.42Å; F125-R139 VanDerWaalsContact CE2-CZ 3.43Å; F125-R139 HydrophobicContact CG-CG 3.83Å; F125-R139 VanDerWaalsContact CZ-CZ 3.44Å; F125-R139 VanDerWaalsContact CZ-NH1 3.28Å; V126-R139 CarbonylContact O-C 3.57Å; V126-R139 WeakPolarHBondContact O-CA 3.43Å; E127-R139 HydrophobicContact CB-CB 4.34Å; E127-R139 HydrophobicContact CB-CG 4.25Å; E127-R139 HydrophobicContact CG-CB 4.36Å; E127-R139 IonicContact OE1-NH2 3.21Å; E127-R139 IonicContact OE2-CZ 3.14Å; E127-R139 IonicContact OE2-NE 2.88Å; E127-R139 PolarHBondContact OE2-NE 2.99Å; E127-R139 IonicContact OE2-NH2 3.09Å; E127-R139 PolarHBondContact OE2-NH2 2.97Å |
| 140 | W | 97.1 | Very high | 89.9 | Confident | 43 Ų | 43 | 61 Ų | 61 | 16% | 0.163 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 148.7 | -170.4 | -54.7 | -85.2 | 0 | 0 | 0 | 112.5 | F107 F111 C121 F125 V126 I128 G138 P147 Q150 | F107-W140 HydrophobicContact CE2-CE3 4.23Å; F107-W140 HydrophobicContact CE2-CZ3 4.42Å; F107-W140 HydrophobicContact CZ-CE3 4.19Å; F111-W140 HydrophobicContact CZ-CB 3.99Å; C121-W140 VanDerWaalsContact SG-C 3.58Å; F125-W140 WeakPolarHBondContact CA-O 3.39Å; V126-W140 HydrophobicContact CG1-CB 4.29Å; V126-W140 HydrophobicContact CG1-CE3 4.48Å; V126-W140 PolarHBondContact N-O 2.86Å; V126-W140 PolarHBondContact O-N 2.93Å; I128-W140 HydrophobicContact CB-CH2 4.17Å; I128-W140 HydrophobicContact CB-CZ3 3.83Å; I128-W140 HydrophobicContact CD1-CH2 4.06Å; I128-W140 HydrophobicContact CD1-CZ3 3.63Å; I128-W140 HydrophobicContact CG1-CH2 4.34Å; I128-W140 HydrophobicContact CG1-CZ3 3.68Å; G138-W140 VanDerWaalsContact C-CH2 3.46Å; G138-W140 VanDerWaalsContact O-CZ3 3.22Å; G138-W140 WeakPolarHBondContact O-CZ3 3.31Å; W140-P147 HydrophobicContact CB-CB 4.33Å; W140-P147 HydrophobicContact CB-CG 3.63Å; W140-P147 HydrophobicContact CD2-CB 3.93Å; W140-P147 HydrophobicContact CD2-CG 4.17Å; W140-P147 HydrophobicContact CG-CB 3.69Å; W140-P147 HydrophobicContact CG-CG 3.54Å; W140-Q150 HydrophobicContact CH2-CG 3.77Å; W140-Q150 HydrophobicContact CZ2-CG 4.13Å |
| 141 | C | 95.9 | Very high | 89.9 | Confident | 20 Ų | 20 | 64.4 Ų | 64.4 | 14% | 0.135 | 35% | 0.346 | C | S | . | . | trans | -161 | -179.1 | -177.1 | 64.6 | 0 | 0 | 0 | 0 | 109.7 | L113 E114 C121 D124 | L113-C141 HydrophobicContact CB-CB 4.43Å; E114-C141 WeakPolarHBondContact O-CB 3.42Å; C121-C141 WeakPolarHBondContact CA-SG 3.25Å; C121-C141 HydrophobicContact CB-CB 3.64Å; C121-C141 WeakPolarHBondContact CB-SG 3.4Å; C121-C141 WeakPolarHBondContact SG-CB 3.14Å; C121-C141 PolarHBondContact SG-N 2.81Å; C121-C141 CovalentContact SG-SG 2.04Å; C121-C141 PolarHBondContact SG-SG 3.46Å; D124-C141 WeakPolarHBondContact O-CB 3.43Å | ||
| 142 | G | 94.9 | Very high | 90 | Very high | 2 Ų | 2 | 62.9 Ų | 62.9 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 70 | -170.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | F111 G112 L113 E114 D115 | F111-G142 WeakPolarHBondContact CE1-O 3.41Å; G112-G142 WeakPolarHBondContact CA-O 3.17Å; L113-G142 PolarHBondContact N-O 2.71Å; L113-G142 CarbonylContact O-C 3.6Å; L113-G142 WeakPolarHBondContact O-CA 3.36Å; E114-G142 WeakPolarHBondContact O-CA 3.4Å; E114-G142 PolarHBondContact O-N 3.09Å; D115-G142 VanDerWaalsContact OD1-CA 3.23Å; D115-G142 WeakPolarHBondContact OD1-CA 3.31Å |
| 143 | S | 91.1 | Very high | 90.3 | Very high | 69 Ų | 69 | 62.8 Ų | 62.8 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -128.4 | 2.7 | -174 | 59.7 | 0 | 0 | 0 | 0 | 114.9 | D115 | D115-S143 PolarHBondContact OD1-N 3.21Š|
| 144 | Q | 80.9 | Confident | 90.6 | Very high | 167 Ų | 167 | 58 Ų | 58 | 78% | 0.78 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -77.7 | -23.5 | -169.6 | -61.9 | 178.9 | 36.2 | 0 | 0 | 114.5 | ||
| 145 | S | 84.8 | Confident | 91 | Very high | 94 Ų | 94 | 50.6 Ų | 50.6 | 66% | 0.657 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -161.9 | 135.5 | -178 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | ||
| 146 | V | 88.5 | Confident | 91.3 | Very high | 65 Ų | 65 | 50.9 Ų | 50.9 | 39% | 0.394 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 133.9 | 174 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | F107 D108 E109 F111 | F107-V146 HydrophobicContact CB-CG1 3.88Å; D108-V146 WeakPolarHBondContact O-CG1 3.42Å; E109-V146 VanDerWaalsContact O-CG2 3.31Å; E109-V146 WeakPolarHBondContact O-CG2 3.07Å; F111-V146 HydrophobicContact CB-CG1 4.35Å; F111-V146 HydrophobicContact CB-CG2 4.3Å |
| 147 | P | 91.8 | Very high | 91.5 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 146.9 | 177.7 | -21.3 | 32.9 | 0 | 0 | 0 | 113 | F107 F111 W140 | F107-P147 HydrophobicContact CD2-CB 3.56Å; F107-P147 HydrophobicContact CD2-CG 3.89Å; F107-P147 HydrophobicContact CE2-CB 3.79Å; F107-P147 HydrophobicContact CE2-CG 4.09Å; F107-P147 HydrophobicContact CG-CB 4.25Å; F107-P147 HydrophobicContact CG-CG 4.14Å; F111-P147 HydrophobicContact CD1-CG 4.39Å; F111-P147 HydrophobicContact CD2-CG 4.28Å; F111-P147 HydrophobicContact CE1-CG 4.17Å; F111-P147 HydrophobicContact CE2-CG 4.06Å; F111-P147 HydrophobicContact CG-CG 4.44Å; F111-P147 HydrophobicContact CZ-CG 4.01Å; W140-P147 HydrophobicContact CB-CB 4.33Å; W140-P147 HydrophobicContact CB-CG 3.63Å; W140-P147 HydrophobicContact CD2-CB 3.93Å; W140-P147 HydrophobicContact CD2-CG 4.17Å; W140-P147 HydrophobicContact CG-CB 3.69Å; W140-P147 HydrophobicContact CG-CG 3.54Å |
| 148 | S | 90.1 | Very high | 91.8 | Very high | 40 Ų | 40 | 45.3 Ų | 45.3 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 159.1 | 179.5 | 68.3 | 0 | 0 | 0 | 0 | 112.9 | Q150 Q226 | S148-Q150 PolarHBondContact O-N 2.79Å; S148-Q150 PolarHBondContact O-NE2 2.84Å; S148-Q150 PolarHBondContact OG-NE2 2.78Å; S148-Q226 PolarHBondContact OG-OE1 2.78Å |
| 149 | S | 90.9 | Very high | 92 | Very high | 45 Ų | 45 | 44.5 Ų | 44.5 | 32% | 0.315 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -66 | 126.9 | -179.8 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | Q104 L105 T106 | Q104-S149 WeakPolarHBondContact CG-OG 3.27Å; Q104-S149 PolarHBondContact NE2-OG 2.8Å; L105-S149 CarbonylContact O-C 3.31Å; L105-S149 WeakPolarHBondContact O-CA 3.2Å; L105-S149 WeakPolarHBondContact O-CB 3.45Å; L105-S149 PolarHBondContact O-OG 3.34Å; T106-S149 PolarHBondContact OG1-OG 2.88Å |
| 150 | Q | 93.8 | Very high | 92.1 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 150 | -179.9 | -53.9 | -57.9 | -53.2 | 0 | 0 | 110.6 | L105 I128 L137 W140 S148 | L105-Q150 HydrophobicContact CB-CB 4.23Å; L105-Q150 PolarHBondContact N-O 3.38Å; L105-Q150 PolarHBondContact O-N 2.98Å; I128-Q150 HydrophobicContact CD1-CG 4.11Å; L137-Q150 HydrophobicContact CD1-CB 4.44Å; W140-Q150 HydrophobicContact CH2-CG 3.77Å; W140-Q150 HydrophobicContact CZ2-CG 4.13Å; S148-Q150 PolarHBondContact O-N 2.79Å; S148-Q150 PolarHBondContact O-NE2 2.84Å; S148-Q150 PolarHBondContact OG-NE2 2.78Å |
| 151 | K | 92.8 | Very high | 92.2 | Very high | 71 Ų | 71 | 40 Ų | 40 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.6 | 176.4 | -67.2 | 176.4 | 178.8 | 172.4 | 0 | 109.2 | I103 Q104 L180 E223 | I103-K151 WeakPolarHBondContact O-CA 3.36Å; Q104-K151 HydrophobicContact CG-CG 4.44Å; K151-L180 HydrophobicContact CB-CD1 4.1Å; K151-L180 HydrophobicContact CD-CD1 4.09Å; K151-L180 HydrophobicContact CD-CD2 4.28Å; K151-L180 HydrophobicContact CG-CD1 4Å; K151-L180 HydrophobicContact CG-CD2 4.38Å; K151-E223 VanDerWaalsContact CD-OE2 3.26Å; K151-E223 WeakPolarHBondContact CD-OE2 3.11Å; K151-E223 WeakPolarHBondContact CE-OE2 3.5Å; K151-E223 IonicContact NZ-OE1 2.71Å; K151-E223 PolarHBondContact NZ-OE1 2.96Å; K151-E223 IonicContact NZ-OE2 3.56Å; K151-E223 PolarHBondContact NZ-OE2 3.23Å |
| 152 | S | 91.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.014 | 23% | 0.234 | C | C | . | . | trans | -74.3 | 150.4 | 173.8 | 73.5 | 0 | 0 | 0 | 0 | 111.8 | R102 I103 G154 | R102-S152 WeakPolarHBondContact CD-O 3.4Å; I103-S152 PolarHBondContact N-OG 2.92Å; I103-S152 PolarHBondContact O-N 3.01Å; S152-G154 WeakPolarHBondContact CB-O 3.4Å; S152-G154 PolarHBondContact OG-O 2.86Å | ||
| 153 | T | 88.6 | Confident | 92.2 | Very high | 75 Ų | 75 | 41.1 Ų | 41.1 | 46% | 0.46 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -79.7 | -46.8 | 167.9 | -53.8 | 0 | 0 | 0 | 0 | 109.7 | R102 D130 E133 | R102-T153 VanDerWaalsContact CD-O 3.26Å; R102-T153 WeakPolarHBondContact CD-O 3.34Å; D130-T153 WeakPolarHBondContact OD2-CA 3.28Å; D130-T153 WeakPolarHBondContact OD2-CB 3.49Å; D130-T153 PolarHBondContact OD2-N 2.9Å; E133-T153 HydrophobicContact CG-CG2 4.07Å |
| 154 | G | 87.6 | Confident | 92.4 | Very high | 13 Ų | 13 | 40 Ų | 40 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -99.8 | -166.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D130 T132 S152 Q156 | D130-G154 PolarHBondContact OD2-N 2.97Å; T132-G154 WeakPolarHBondContact OG1-CA 3.32Å; S152-G154 WeakPolarHBondContact CB-O 3.4Å; S152-G154 PolarHBondContact OG-O 2.86Å; G154-Q156 VanDerWaalsContact C-N 3.3Å |
| 155 | S | 92.1 | Very high | 93 | Very high | 22 Ų | 22 | 37.6 Ų | 37.6 | 15% | 0.154 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -85.4 | 6.4 | 176.7 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | A97 R101 | A97-S155 PolarHBondContact N-O 2.88Å; R101-S155 VanDerWaalsContact O-CA 3.26Å; R101-S155 WeakPolarHBondContact O-CA 3.34Å; R101-S155 WeakPolarHBondContact O-CB 3.37Å |
| 156 | Q | 94.3 | Very high | 93.2 | Very high | 69 Ų | 69 | 39.1 Ų | 39.1 | 32% | 0.322 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.9 | -178.6 | -69.5 | -176.9 | 60.1 | 0 | 0 | 112.1 | L95 V96 P131 G154 | L95-Q156 VanDerWaalsContact O-CA 3.27Å; L95-Q156 WeakPolarHBondContact O-CA 3.28Å; V96-Q156 HydrophobicContact CB-CG 4.47Å; V96-Q156 HydrophobicContact CG1-CG 4.15Å; V96-Q156 HydrophobicContact CG2-CG 4.21Å; P131-Q156 HydrophobicContact CG-CB 3.76Å; G154-Q156 VanDerWaalsContact C-N 3.3Å |
| 157 | V | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 144 | 167.9 | -176.8 | 0 | 0 | 0 | 0 | 109.1 | L95 I103 L105 I128 V159 | L95-V157 HydrophobicContact CB-CB 4.47Å; L95-V157 PolarHBondContact N-O 2.9Å; L95-V157 PolarHBondContact O-N 2.76Å; I103-V157 HydrophobicContact CB-CG2 4.39Å; I103-V157 HydrophobicContact CD1-CG2 4.31Å; L105-V157 HydrophobicContact CD1-CB 4.31Å; L105-V157 HydrophobicContact CD1-CG1 3.77Å; L105-V157 HydrophobicContact CD1-CG2 4.2Å; I128-V157 HydrophobicContact CG2-CG1 3.46Å; I128-V157 VanDerWaalsContact CG2-CG1 3.46Å; V157-V159 HydrophobicContact CG1-CG2 4.24Å |
| 158 | I | 96.8 | Very high | 93.2 | Very high | 8 Ų | 8 | 44.4 Ų | 44.4 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.8 | 167.6 | -53.8 | 169.8 | 0 | 0 | 0 | 107.5 | V92 W93 E129 P131 | V92-I158 HydrophobicContact CG1-CG2 3.65Å; W93-I158 WeakPolarHBondContact O-CA 3.12Å; E129-I158 HydrophobicContact CB-CB 4.3Å; E129-I158 PolarHBondContact N-O 3.27Å; E129-I158 PolarHBondContact O-N 3.46Å; P131-I158 HydrophobicContact CB-CD1 4.3Å |
| 159 | V | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 132.3 | 169.9 | -172.3 | 0 | 0 | 0 | 0 | 108.1 | I76 V92 W93 L95 V126 E127 I128 V157 L175 | I76-V159 HydrophobicContact CD1-CB 3.84Å; I76-V159 HydrophobicContact CD1-CG1 3.94Å; I76-V159 HydrophobicContact CD1-CG2 3.97Å; V92-V159 CarbonylContact C-O 3.55Å; V92-V159 WeakPolarHBondContact CA-O 3.28Å; W93-V159 HydrophobicContact CB-CB 4.49Å; W93-V159 HydrophobicContact CE3-CB 4.36Å; W93-V159 HydrophobicContact CE3-CG1 4.33Å; W93-V159 PolarHBondContact N-O 3.41Å; W93-V159 PolarHBondContact O-N 2.87Å; L95-V159 HydrophobicContact CD1-CG2 4.31Å; V126-V159 HydrophobicContact CG2-CG1 3.89Å; E127-V159 CarbonylContact O-C 3.56Å; E127-V159 WeakPolarHBondContact O-CA 3.36Å; I128-V159 HydrophobicContact CG1-CG1 4.15Å; I128-V159 HydrophobicContact CG1-CG2 4.21Å; V157-V159 HydrophobicContact CG1-CG2 4.24Å; V159-L175 HydrophobicContact CG1-CD2 3.89Å; V159-L175 HydrophobicContact CG2-CD2 4.08Å |
| 160 | R | 97.4 | Very high | 93.3 | Very high | 51 Ų | 51 | 48 Ų | 48 | 19% | 0.192 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 118.3 | -173.1 | 176.9 | -177.6 | -61.6 | 110.7 | 7.3 | 109 | L91 V92 V126 E127 E129 I162 | L91-R160 WeakPolarHBondContact O-CA 3.31Å; V92-R160 HydrophobicContact CG2-CG 4.43Å; V126-R160 CarbonylContact C-O 3.52Å; V126-R160 WeakPolarHBondContact CA-O 3.28Å; E127-R160 HydrophobicContact CB-CB 4.37Å; E127-R160 PolarHBondContact N-O 3.43Å; E127-R160 PolarHBondContact O-N 3.26Å; E127-R160 IonicContact OE1-CZ 3.57Å; E127-R160 IonicContact OE1-NH1 2.73Å; E127-R160 PolarHBondContact OE1-NH1 2.95Å; E129-R160 IonicContact OE2-CZ 2.64Å; E129-R160 VanDerWaalsContact OE2-CZ 3.26Å; E129-R160 IonicContact OE2-NH1 2.82Å; E129-R160 PolarHBondContact OE2-NH1 3.1Å; E129-R160 IonicContact OE2-NH2 2.73Å; E129-R160 PolarHBondContact OE2-NH2 2.04Å; R160-I162 HydrophobicContact CG-CD1 4.15Å; R160-I162 HydrophobicContact CG-CG1 4.37Å |
| 161 | F | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.2 | 170.7 | 173.6 | -112.6 | 0 | 0 | 0 | 109.4 | Y85 T89 M90 L91 W93 L113 F125 V126 F173 | Y85-F161 HydrophobicContact CD2-CE1 4.4Å; Y85-F161 AromaticContact CD2-CZ 3.67Å; Y85-F161 HydrophobicContact CD2-CZ 3.67Å; Y85-F161 HydrophobicContact CE2-CZ 4.04Å; Y85-F161 AromaticContact CG-CZ 3.99Å; Y85-F161 HydrophobicContact CG-CZ 3.99Å; T89-F161 HydrophobicContact CG2-CD1 4.29Å; T89-F161 HydrophobicContact CG2-CE1 4.16Å; M90-F161 WeakPolarHBondContact CA-O 3.48Å; L91-F161 HydrophobicContact CB-CB 4.46Å; L91-F161 HydrophobicContact CD1-CD1 4.38Å; L91-F161 PolarHBondContact N-O 3.27Å; L91-F161 PolarHBondContact O-N 2.82Å; W93-F161 HydrophobicContact CH2-CB 4.16Å; W93-F161 HydrophobicContact CZ3-CB 3.77Å; L113-F161 HydrophobicContact CD1-CD2 4.49Å; L113-F161 HydrophobicContact CD1-CE2 4.12Å; L113-F161 HydrophobicContact CD2-CE2 3.83Å; L113-F161 HydrophobicContact CD2-CZ 4.5Å; F125-F161 WeakPolarHBondContact O-CA 3.36Å; F125-F161 WeakPolarHBondContact O-CD2 3.45Å; V126-F161 HydrophobicContact CB-CD2 4.48Å; F161-F173 HydrophobicContact CB-CE1 3.83Å; F161-F173 HydrophobicContact CB-CZ 4.09Å; F161-F173 HydrophobicContact CD1-CE1 4.29Å; F161-F173 HydrophobicContact CD2-CD1 4.05Å; F161-F173 AromaticContact CD2-CE1 3.56Å; F161-F173 HydrophobicContact CD2-CE1 3.56Å; F161-F173 HydrophobicContact CE2-CD1 4.34Å; F161-F173 HydrophobicContact CE2-CE1 4.2Å; F161-F173 AromaticContact CG-CE1 3.62Å; F161-F173 HydrophobicContact CG-CE1 3.62Å; F161-F173 HydrophobicContact CG-CZ 4.37Å |
| 162 | I | 96.3 | Very high | 93.5 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 20% | 0.195 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 133.8 | 176 | -73.9 | 169 | 0 | 0 | 0 | 107.8 | T89 M90 D124 F125 R160 | T89-I162 CarbonylContact O-C 3.52Å; T89-I162 VanDerWaalsContact O-CA 3.31Å; T89-I162 WeakPolarHBondContact O-CA 3.32Å; M90-I162 HydrophobicContact CB-CG1 4.45Å; M90-I162 HydrophobicContact CE-CD1 4.21Å; M90-I162 HydrophobicContact CE-CG1 4.35Å; M90-I162 HydrophobicContact CG-CD1 4.5Å; M90-I162 HydrophobicContact CG-CG1 3.96Å; D124-I162 WeakPolarHBondContact CA-O 3.36Å; F125-I162 HydrophobicContact CE1-CB 4.12Å; F125-I162 HydrophobicContact CE1-CD1 4.46Å; F125-I162 HydrophobicContact CE1-CG2 4.08Å; F125-I162 HydrophobicContact CE2-CB 4.23Å; F125-I162 HydrophobicContact CE2-CD1 3.97Å; F125-I162 HydrophobicContact CE2-CG1 4.47Å; F125-I162 HydrophobicContact CZ-CB 3.95Å; F125-I162 HydrophobicContact CZ-CD1 3.61Å; F125-I162 HydrophobicContact CZ-CG1 4.29Å; F125-I162 HydrophobicContact CZ-CG2 4.26Å; F125-I162 PolarHBondContact N-O 3.43Å; F125-I162 PolarHBondContact O-N 3.24Å; R160-I162 HydrophobicContact CG-CD1 4.15Å; R160-I162 HydrophobicContact CG-CG1 4.37Å |
| 163 | S | 95.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 152 | 163.7 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | P86 D88 T89 D124 | P86-S163 PolarHBondContact O-OG 2.92Å; D88-S163 WeakPolarHBondContact CA-O 3.36Å; T89-S163 WeakPolarHBondContact CB-OG 3.33Å; T89-S163 PolarHBondContact N-O 3.4Å; T89-S163 PolarHBondContact N-OG 2.89Å; T89-S163 VanDerWaalsContact N-OG 3.16Å; T89-S163 PolarHBondContact O-N 2.73Å; D124-S163 WeakPolarHBondContact OD1-CA 3.34Å; D124-S163 WeakPolarHBondContact OD1-CB 3.25Å |
| 164 | D | 94.2 | Very high | 94.2 | Very high | 47 Ų | 47 | 41.9 Ų | 41.9 | 25% | 0.251 | 21% | 0.206 | S | C | . | . | trans | -97.3 | -176.9 | -177 | 116.4 | -16.6 | 0 | 0 | 0 | 112.7 | R87 D88 Y123 D124 Y166 | R87-D164 WeakPolarHBondContact CA-O 3.44Å; R87-D164 VanDerWaalsContact CB-O 3.24Å; R87-D164 WeakPolarHBondContact CB-O 3.47Å; D88-D164 PolarHBondContact N-O 2.78Å; Y123-D164 WeakPolarHBondContact CD1-OD2 3.44Å; D124-D164 PolarHBondContact OD1-N 3.43Å; D164-Y166 PolarHBondContact O-N 2.92Å; D164-Y166 WeakPolarHBondContact OD1-CA 3.39Å; D164-Y166 WeakPolarHBondContact OD1-CB 3.17Å; D164-Y166 PolarHBondContact OD1-N 2.9Å | ||
| 165 | E | 93.4 | Very high | 94.7 | Very high | 115 Ų | 115 | 41.2 Ų | 41.2 | 54% | 0.537 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -68.3 | -9.9 | -178.5 | -80.6 | -176.5 | -168.8 | 0 | 0 | 114.8 | R87 | R87-E165 WeakPolarHBondContact CD-O 3.03Å; R87-E165 PolarHBondContact NE-O 3.28Å |
| 166 | Y | 89.4 | Confident | 94.9 | Very high | 127 Ų | 127 | 43.9 Ų | 43.9 | 50% | 0.498 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -126.8 | 176 | -167 | -55 | -77.6 | 0 | 0 | 0 | 113.4 | R87 D164 P168 | R87-Y166 WeakPolarHBondContact CD-O 3.45Å; D164-Y166 PolarHBondContact O-N 2.92Å; D164-Y166 WeakPolarHBondContact OD1-CA 3.39Å; D164-Y166 WeakPolarHBondContact OD1-CB 3.17Å; D164-Y166 PolarHBondContact OD1-N 2.9Å; Y166-P168 VanDerWaalsContact C-CD 3.47Å; Y166-P168 WeakPolarHBondContact O-CD 3.41Å |
| 167 | F | 89.2 | Confident | 95.1 | Very high | 152 Ų | 152 | 42.2 Ų | 42.2 | 67% | 0.667 | 20% | 0.2 | S | C | * | . | trans | 21.5 | 53.9 | 170.3 | -48.4 | -63.9 | 0 | 0 | 0 | 121.2 | E114 | E114-F167 HydrophobicContact CG-CB 4.34Å; E114-F167 WeakPolarHBondContact OE1-CB 3.4Å | ||
| 168 | P | 91.6 | Very high | 95 | Very high | 37 Ų | 37 | 43.4 Ų | 43.4 | 24% | 0.24 | 21% | 0.208 | C | C | . | . | trans | -70.9 | 138.3 | -179.8 | 33.4 | -35.4 | 0 | 0 | 0 | 110 | T84 Y85 R87 Y166 | T84-P168 HydrophobicContact CG2-CB 3.87Å; T84-P168 HydrophobicContact CG2-CG 3.8Å; Y85-P168 HydrophobicContact CD2-CB 4.05Å; Y85-P168 HydrophobicContact CE2-CB 3.7Å; Y85-P168 WeakPolarHBondContact O-CB 3.36Å; R87-P168 HydrophobicContact CG-CB 3.94Å; R87-P168 HydrophobicContact CG-CG 3.6Å; Y166-P168 VanDerWaalsContact C-CD 3.47Å; Y166-P168 WeakPolarHBondContact O-CD 3.41Å | ||
| 169 | S | 92 | Very high | 94.9 | Very high | 32 Ų | 32 | 44.4 Ų | 44.4 | 22% | 0.224 | 21% | 0.214 | C | C | . | . | trans | -95.2 | 172 | -175.6 | -159.2 | 0 | 0 | 0 | 0 | 112.7 | T84 Y85 L113 | T84-S169 WeakPolarHBondContact CA-O 3.35Å; Y85-S169 VanDerWaalsContact CD1-O 3.31Å; Y85-S169 WeakPolarHBondContact CD1-O 3.24Å; Y85-S169 WeakPolarHBondContact CE1-O 3.34Å; Y85-S169 VanDerWaalsContact CZ-N 3.28Å; Y85-S169 PolarHBondContact OH-N 3.02Å; L113-S169 WeakPolarHBondContact O-CB 3.38Å; L113-S169 PolarHBondContact O-OG 3.48Å | ||
| 170 | E | 90.9 | Very high | 94.4 | Very high | 127 Ų | 127 | 45.4 Ų | 45.4 | 59% | 0.593 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -125.8 | 149 | 166.6 | 63.3 | 179.5 | -171 | 0 | 0 | 108.5 | ||
| 171 | P | 94.5 | Very high | 93.3 | Very high | 30 Ų | 30 | 48.3 Ų | 48.3 | 20% | 0.195 | 24% | 0.244 | C | C | . | . | S | Bend | cis | -85.6 | 0.9 | 7.2 | 35 | -39.4 | 0 | 0 | 0 | 116 | F81 P82 N110 | F81-P171 WeakPolarHBondContact CD2-O 3.44Å; F81-P171 HydrophobicContact CE2-CB 4.34Å; P82-P171 CarbonylContact C-O 3.53Å; P82-P171 VanDerWaalsContact C-O 3.31Å; P82-P171 WeakPolarHBondContact CA-O 3.49Å; P82-P171 HydrophobicContact CB-CB 3.91Å; P82-P171 VanDerWaalsContact O-CA 3.31Å; P82-P171 WeakPolarHBondContact O-CA 3.14Å; P82-P171 VanDerWaalsContact O-CB 3.28Å; P82-P171 WeakPolarHBondContact O-CB 3.27Å; N110-P171 HydrophobicContact CB-CB 4.4Å; N110-P171 HydrophobicContact CB-CG 3.89Å; N110-P171 VanDerWaalsContact O-CG 3.3Å; N110-P171 WeakPolarHBondContact O-CG 3.49Å |
| 172 | G | 96.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | 86.4 | -141.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G112 | G112-G172 PolarHBondContact N-O 3.35Å; G112-G172 WeakPolarHBondContact O-CA 3.05Å; G112-G172 PolarHBondContact O-N 3.34Å |
| 173 | F | 97.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -141.8 | 148.4 | 172.9 | 81.4 | -81.8 | 0 | 0 | 0 | 112.7 | H77 S78 F81 W93 F107 F111 L113 V126 F161 L175 | H77-F173 CarbonylContact C-O 3.56Å; H77-F173 WeakPolarHBondContact CA-O 3.26Å; H77-F173 VanDerWaalsContact CB-O 3.24Å; H77-F173 WeakPolarHBondContact CB-O 3.09Å; S78-F173 PolarHBondContact N-O 2.81Å; S78-F173 PolarHBondContact OG-N 2.97Å; S78-F173 VanDerWaalsContact OG-N 3.07Å; S78-F173 PolarHBondContact OG-O 3.34Å; F81-F173 WeakPolarHBondContact CD2-O 3.36Å; W93-F173 AromaticContact CH2-CZ 3.88Å; W93-F173 HydrophobicContact CH2-CZ 3.88Å; W93-F173 AromaticContact CZ3-CZ 3.9Å; W93-F173 HydrophobicContact CZ3-CZ 3.9Å; F107-F173 HydrophobicContact CD1-CB 4.42Å; F107-F173 HydrophobicContact CD1-CD2 4.27Å; F107-F173 HydrophobicContact CE1-CB 4.5Å; F107-F173 AromaticContact CE1-CD2 3.9Å; F107-F173 HydrophobicContact CE1-CD2 3.9Å; F107-F173 HydrophobicContact CE1-CG 4.46Å; F111-F173 HydrophobicContact CD2-CB 3.7Å; F111-F173 HydrophobicContact CE2-CB 3.78Å; L113-F173 HydrophobicContact CD2-CD1 4.48Å; V126-F173 HydrophobicContact CG2-CD2 4.48Å; V126-F173 HydrophobicContact CG2-CE1 4.47Å; V126-F173 HydrophobicContact CG2-CE2 4.15Å; V126-F173 HydrophobicContact CG2-CZ 4.15Å; F161-F173 HydrophobicContact CB-CE1 3.83Å; F161-F173 HydrophobicContact CB-CZ 4.09Å; F161-F173 HydrophobicContact CD1-CE1 4.29Å; F161-F173 HydrophobicContact CD2-CD1 4.05Å; F161-F173 AromaticContact CD2-CE1 3.56Å; F161-F173 HydrophobicContact CD2-CE1 3.56Å; F161-F173 HydrophobicContact CE2-CD1 4.34Å; F161-F173 HydrophobicContact CE2-CE1 4.2Å; F161-F173 AromaticContact CG-CE1 3.62Å; F161-F173 HydrophobicContact CG-CE1 3.62Å; F161-F173 HydrophobicContact CG-CZ 4.37Å; F173-L175 HydrophobicContact CD2-CB 4.11Å; F173-L175 HydrophobicContact CE2-CB 4.1Å | ||
| 174 | C | 97.6 | Very high | 86.8 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 3% | 0.034 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 142 | 157.5 | -178 | 0 | 0 | 0 | 0 | 108.9 | H77 F81 F107 D108 | H77-C174 HydrophobicContact CB-CB 3.98Å; F81-C174 HydrophobicContact CD1-CB 3.9Å; F81-C174 HydrophobicContact CD2-CB 4.35Å; F81-C174 HydrophobicContact CE1-CB 3.48Å; F81-C174 VanDerWaalsContact CE1-CB 3.48Å; F81-C174 HydrophobicContact CE2-CB 3.98Å; F81-C174 HydrophobicContact CG-CB 4.32Å; F81-C174 HydrophobicContact CZ-CB 3.52Å; F107-C174 WeakPolarHBondContact CA-O 3.14Å; D108-C174 HydrophobicContact CB-CB 3.84Å; D108-C174 PolarHBondContact N-O 3.49Å |
| 175 | L | 97.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 106.8 | -177.5 | -178.7 | 61.3 | 0 | 0 | 0 | 108.6 | M75 I76 L105 F107 I128 V159 F173 | M75-L175 WeakPolarHBondContact CA-O 3.33Å; I76-L175 HydrophobicContact CD1-CD2 4.27Å; I76-L175 HydrophobicContact CG1-CB 4.04Å; I76-L175 HydrophobicContact CG1-CD2 4.38Å; I76-L175 HydrophobicContact CG1-CG 4.5Å; I76-L175 PolarHBondContact N-O 2.89Å; I76-L175 PolarHBondContact O-N 3.35Å; L105-L175 HydrophobicContact CB-CD1 4.09Å; L105-L175 HydrophobicContact CD2-CD2 4.14Å; L105-L175 HydrophobicContact CD2-CG 4.2Å; F107-L175 HydrophobicContact CD1-CB 4.24Å; F107-L175 HydrophobicContact CD1-CD1 3.89Å; F107-L175 HydrophobicContact CD2-CD1 3.72Å; F107-L175 HydrophobicContact CE1-CB 4.18Å; F107-L175 HydrophobicContact CE1-CD1 3.92Å; F107-L175 HydrophobicContact CE1-CD2 4.31Å; F107-L175 HydrophobicContact CE1-CG 4.37Å; F107-L175 HydrophobicContact CE2-CD1 3.78Å; F107-L175 HydrophobicContact CG-CD1 3.8Å; F107-L175 HydrophobicContact CZ-CD1 3.88Å; F107-L175 HydrophobicContact CZ-CD2 4.17Å; I128-L175 HydrophobicContact CD1-CD2 3.97Å; V159-L175 HydrophobicContact CG1-CD2 3.89Å; V159-L175 HydrophobicContact CG2-CD2 4.08Å; F173-L175 HydrophobicContact CD2-CB 4.11Å; F173-L175 HydrophobicContact CE2-CB 4.1Å |
| 176 | H | 97.6 | Very high | 81.8 | Confident | 77 Ų | 77 | 67.9 Ų | 67.9 | 36% | 0.356 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 138.3 | 173.1 | -62.5 | 92.5 | 0 | 0 | 0 | 109.4 | G74 L105 T106 D108 | G74-H176 WeakPolarHBondContact O-CA 2.98Å; L105-H176 CarbonylContact C-O 3.52Å; L105-H176 WeakPolarHBondContact CA-O 3.43Å; T106-H176 PolarHBondContact N-O 2.84Å; T106-H176 PolarHBondContact O-N 3.38Å; D108-H176 IonicContact OD2-CE1 3.21Å |
| 177 | Y | 96.9 | Very high | 79.7 | Confident | 34 Ų | 34 | 67.2 Ų | 67.2 | 13% | 0.133 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 143.9 | 175.3 | 65.2 | -101.8 | 0 | 0 | 0 | 110.9 | L68 V70 E73 G74 M75 I76 L95 Q104 | L68-Y177 HydrophobicContact CD1-CE1 4.37Å; V70-Y177 HydrophobicContact CG1-CD2 3.89Å; V70-Y177 HydrophobicContact CG1-CE2 4.16Å; V70-Y177 HydrophobicContact CG2-CD2 4.04Å; V70-Y177 HydrophobicContact CG2-CE2 4.07Å; E73-Y177 CarbonylContact C-O 3.56Å; E73-Y177 WeakPolarHBondContact CA-O 2.94Å; G74-Y177 PolarHBondContact N-O 2.94Å; G74-Y177 PolarHBondContact O-N 3.3Å; M75-Y177 VanDerWaalsContact N-CE1 3.32Å; I76-Y177 HydrophobicContact CG2-CD1 4.45Å; I76-Y177 HydrophobicContact CG2-CE1 4.06Å; L95-Y177 HydrophobicContact CD1-CD1 4.38Å; L95-Y177 HydrophobicContact CD1-CG 4.22Å; L95-Y177 HydrophobicContact CD2-CD1 4.32Å; L95-Y177 HydrophobicContact CD2-CE1 4.37Å; Q104-Y177 VanDerWaalsContact O-CA 3.31Å; Q104-Y177 WeakPolarHBondContact O-CA 3.49Å |
| 178 | S | 95.2 | Very high | 77.6 | Confident | 25 Ų | 25 | 68.9 Ų | 68.9 | 18% | 0.175 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 165.9 | 176.1 | 68 | 0 | 0 | 0 | 0 | 111.2 | I103 Q104 | I103-S178 CarbonylContact C-O 3.51Å; I103-S178 WeakPolarHBondContact CA-O 3.34Å; Q104-S178 PolarHBondContact N-O 3.02Å; Q104-S178 PolarHBondContact O-N 3.39Å |
| 179 | L | 93.8 | Very high | 75.1 | Confident | 30 Ų | 30 | 71.5 Ų | 71.5 | 16% | 0.157 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 127.5 | 166.8 | -67 | 175.4 | 0 | 0 | 0 | 109.2 | V70 S71 A97 R101 | V70-L179 HydrophobicContact CB-CD2 4.25Å; V70-L179 HydrophobicContact CG1-CD2 3.65Å; V70-L179 HydrophobicContact CG1-CG 3.92Å; S71-L179 WeakPolarHBondContact O-CD1 3.41Å; A97-L179 HydrophobicContact CB-CD2 3.65Å; R101-L179 HydrophobicContact CB-CD2 4.16Å |
| 180 | L | 87.7 | Confident | 72.5 | Confident | 21 Ų | 21 | 76.3 Ų | 76.3 | 11% | 0.11 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 135.2 | 167.6 | -81.7 | 170.9 | 0 | 0 | 0 | 109.2 | R102 Q104 K151 V182 | R102-L180 HydrophobicContact CB-CB 4.36Å; R102-L180 HydrophobicContact CB-CD1 3.75Å; R102-L180 PolarHBondContact O-N 2.86Å; Q104-L180 HydrophobicContact CB-CD2 3.85Å; Q104-L180 HydrophobicContact CB-CG 3.94Å; Q104-L180 HydrophobicContact CG-CD2 4.44Å; K151-L180 HydrophobicContact CB-CD1 4.1Å; K151-L180 HydrophobicContact CD-CD1 4.09Å; K151-L180 HydrophobicContact CD-CD2 4.28Å; K151-L180 HydrophobicContact CG-CD1 4Å; K151-L180 HydrophobicContact CG-CD2 4.38Å; L180-V182 PolarHBondContact O-N 3.25Å; L180-V182 VanDerWaalsContact O-N 3.13Å |
| 181 | P | 74.4 | Confident | 70.4 | Confident | 111 Ų | 111 | 76.4 Ų | 76.4 | 72% | 0.721 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 122.1 | 173.3 | -25 | 33.9 | 0 | 0 | 0 | 110 | S183 | P181-S183 PolarHBondContact O-N 3.25Å; P181-S183 VanDerWaalsContact O-N 3.11Å |
| 182 | V | 61.3 | Low | 68.2 | Low | 104 Ų | 104 | 81.4 Ų | 81.4 | 63% | 0.63 | 49% | 0.485 | S | S | * | . | trans | -66.2 | 112.6 | 162.7 | 178.4 | 0 | 0 | 0 | 0 | 105.3 | R101 L180 A184 | R101-V182 HydrophobicContact CG-CG2 4.43Å; L180-V182 PolarHBondContact O-N 3.25Å; L180-V182 VanDerWaalsContact O-N 3.13Å; V182-A184 VanDerWaalsContact C-N 3.27Å; V182-A184 PolarHBondContact O-N 3.04Å | ||
| 183 | S | 51.1 | Low | 65.7 | Low | 114 Ų | 114 | 84.2 Ų | 84.2 | 80% | 0.797 | 50% | 0.504 | S | S | * | . | trans | -67.5 | 84.7 | -177.1 | 38.2 | 0 | 0 | 0 | 0 | 110.8 | P181 S185 | P181-S183 PolarHBondContact O-N 3.25Å; P181-S183 VanDerWaalsContact O-N 3.11Å; S183-S185 PolarHBondContact O-N 3.45Å | ||
| 184 | A | 40.1 | Very low | 63.5 | Low | 89 Ų | 89 | 87.7 Ų | 87.7 | 74% | 0.736 | 53% | 0.526 | S | S | * | . | trans | -53.4 | 133.4 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | V182 E186 | V182-A184 VanDerWaalsContact C-N 3.27Å; V182-A184 PolarHBondContact O-N 3.04Å; A184-E186 PolarHBondContact O-N 3.27Å | ||
| 185 | S | 48.9 | Very low | 61.4 | Low | 123 Ų | 123 | 89.2 Ų | 89.2 | 86% | 0.86 | 54% | 0.536 | S | S | * | . | trans | -66 | 97.2 | -173.3 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | S183 | S183-S185 PolarHBondContact O-N 3.45Š| ||
| 186 | E | 34.3 | Very low | 59.2 | Low | 187 Ų | 187 | 94.4 Ų | 94.4 | 87% | 0.874 | 57% | 0.573 | S | S | * | * | trans | -76.4 | 140.5 | 166 | -159.3 | 154 | -145.1 | 0 | 0 | 108.8 | A184 | A184-E186 PolarHBondContact O-N 3.27Š| ||
| 187 | P | 44.5 | Very low | 57.1 | Low | 113 Ų | 113 | 97.4 Ų | 97.4 | 73% | 0.734 | 59% | 0.59 | S | S | * | * | trans | -82.2 | 154.9 | -152.2 | 30.9 | -36.1 | 0 | 0 | 0 | 115.4 | A189 | P187-A189 PolarHBondContact O-N 3.23Š| ||
| 188 | E | 45.1 | Very low | 55.4 | Low | 187 Ų | 187 | 96.8 Ų | 96.8 | 87% | 0.874 | 59% | 0.589 | S | S | * | * | trans | -12.9 | 87.4 | 176.3 | -65.2 | 178.9 | 110.4 | 0 | 0 | 117.6 | ||||
| 189 | A | 39.8 | Very low | 54.2 | Low | 92 Ų | 92 | 97.5 Ų | 97.5 | 76% | 0.76 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -95.6 | 80.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | P187 | P187-A189 PolarHBondContact O-N 3.23Š|
| 190 | T | 37.9 | Very low | 53.2 | Low | 133 Ų | 133 | 101.6 Ų | 101.6 | 82% | 0.816 | 63% | 0.626 | S | S | * | * | trans | 51.6 | 109.2 | 171.8 | 47.2 | 0 | 0 | 0 | 0 | 117.7 | Q192 | T190-Q192 PolarHBondContact O-N 2.7Å; T190-Q192 VanDerWaalsContact O-N 3.13Å | ||
| 191 | T | 47 | Very low | 52.6 | Low | 130 Ų | 130 | 104.1 Ų | 104.1 | 80% | 0.798 | 64% | 0.637 | S | S | * | * | trans | -54.1 | 108.9 | 176.9 | -46.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 192 | Q | 47.6 | Very low | 52.5 | Low | 134 Ų | 134 | 102.7 Ų | 102.7 | 63% | 0.626 | 62% | 0.621 | S | S | * | * | trans | -126.9 | 142.2 | 144.5 | -69.6 | -165.9 | -70.2 | 0 | 0 | 108.6 | T190 | T190-Q192 PolarHBondContact O-N 2.7Å; T190-Q192 VanDerWaalsContact O-N 3.13Å | ||
| 193 | P | 43.1 | Very low | 53.3 | Low | 59 Ų | 59 | 100 Ų | 100 | 38% | 0.383 | 60% | 0.602 | S | S | . | * | trans | -67.8 | 160.9 | 172.8 | 30.9 | -34.7 | 0 | 0 | 0 | 110.5 | Q198 | P193-Q198 HydrophobicContact CG-CG 3.77Š| ||
| 194 | P | 51.7 | Low | 54.6 | Low | 73 Ų | 73 | 98.9 Ų | 98.9 | 47% | 0.474 | 59% | 0.587 | S | S | . | * | trans | -59.2 | 143.9 | 171.9 | 27 | -34.9 | 0 | 0 | 0 | 110.2 | S196 L197 | P194-S196 PolarHBondContact O-N 2.82Å; P194-L197 HydrophobicContact CG-CD1 4.16Å; P194-L197 PolarHBondContact O-N 2.99Å | ||
| 195 | P | 53.6 | Low | 56.3 | Low | 37 Ų | 37 | 100.9 Ų | 100.9 | 24% | 0.24 | 58% | 0.581 | C | S | . | * | G | 310 helix | trans | -61.6 | -21 | -171.3 | 21.3 | -32.4 | 0 | 0 | 0 | 114 | L197 Q198 L203 Y219 | P195-L197 PolarHBondContact O-N 2.84Å; P195-Q198 PolarHBondContact O-N 2.96Å; P195-L203 HydrophobicContact CB-CD1 3.65Å; P195-Y219 HydrophobicContact CB-CE1 4.38Å |
| 196 | S | 52.7 | Low | 57.8 | Low | 110 Ų | 110 | 96.2 Ų | 96.2 | 77% | 0.769 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -68.6 | -5.5 | 171.7 | 54 | 0 | 0 | 0 | 0 | 115.2 | P194 | P194-S196 PolarHBondContact O-N 2.82Š|
| 197 | L | 53.2 | Low | 60.1 | Low | 139 Ų | 139 | 89 Ų | 89 | 73% | 0.728 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -117.9 | -1.7 | 174.2 | -84.5 | 169.6 | 0 | 0 | 0 | 113.9 | P194 P195 | P194-L197 HydrophobicContact CG-CD1 4.16Å; P194-L197 PolarHBondContact O-N 2.99Å; P195-L197 PolarHBondContact O-N 2.84Å |
| 198 | Q | 60.4 | Low | 61.7 | Low | 22 Ų | 22 | 86.4 Ų | 86.4 | 10% | 0.103 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -77.4 | 156.4 | 177.7 | -72.2 | -178.1 | -54.9 | 0 | 0 | 111.8 | P193 P195 E202 | P193-Q198 HydrophobicContact CG-CG 3.77Å; P195-Q198 PolarHBondContact O-N 2.96Å; Q198-E202 HydrophobicContact CB-CB 4.29Å; Q198-E202 HydrophobicContact CB-CG 4.33Å; Q198-E202 HydrophobicContact CG-CG 4.28Å; Q198-E202 PolarHBondContact NE2-OE1 2.88Å |
| 199 | G | 69.5 | Low | 63.3 | Low | 40 Ų | 40 | 83.1 Ų | 83.1 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | trans | -67 | 149.3 | 169 | 0 | 0 | 0 | 0 | 0 | 110.8 | E201 E202 L203 | G199-E201 PolarHBondContact O-N 2.88Å; G199-E201 VanDerWaalsContact O-N 3.08Å; G199-E202 WeakPolarHBondContact O-CB 3.05Å; G199-E202 PolarHBondContact O-N 3.32Å; G199-L203 PolarHBondContact O-N 2.9Å | ||
| 200 | V | 74.3 | Confident | 65.4 | Low | 115 Ų | 115 | 80.7 Ų | 80.7 | 70% | 0.697 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -54.6 | -32.2 | 178.9 | 179.4 | 0 | 0 | 0 | 0 | 112 | L204 | V200-L204 HydrophobicContact CG1-CD1 4.19Å; V200-L204 WeakPolarHBondContact O-CB 3.27Å; V200-L204 VanDerWaalsContact O-CG 3.24Å; V200-L204 WeakPolarHBondContact O-CG 3.47Å; V200-L204 PolarHBondContact O-N 2.99Å |
| 201 | E | 73.5 | Confident | 67.4 | Low | 74 Ų | 74 | 77.2 Ų | 77.2 | 35% | 0.346 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -72.1 | -40.4 | 177.5 | -157.8 | 60.2 | -148.5 | 0 | 0 | 113.5 | G199 L203 L204 E205 S305 H306 | G199-E201 PolarHBondContact O-N 2.88Å; G199-E201 VanDerWaalsContact O-N 3.08Å; E201-L203 VanDerWaalsContact C-N 3.3Å; E201-L203 PolarHBondContact O-N 2.74Å; E201-L204 WeakPolarHBondContact O-CB 3.48Å; E201-L204 PolarHBondContact O-N 3.2Å; E201-E205 PolarHBondContact O-N 3.16Å; E201-S305 WeakPolarHBondContact OE1-CB 3.37Å; E201-H306 IonicContact OE1-CE1 3.34Å; E201-H306 PolarHBondContact OE1-CE1 2.82Å; E201-H306 IonicContact OE1-ND1 3.91Å; E201-H306 PolarHBondContact OE1-ND1 3.45Å; E201-H306 IonicContact OE1-NE2 2.63Å; E201-H306 IonicContact OE2-CE1 3.57Å; E201-H306 PolarHBondContact OE2-CE1 2.96Å |
| 202 | E | 72.6 | Confident | 69.3 | Low | 81 Ų | 81 | 72.8 Ų | 72.8 | 38% | 0.379 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 176.1 | -170.9 | -174.9 | 174.6 | 0 | 0 | 110.5 | Q198 G199 A206 | Q198-E202 HydrophobicContact CB-CB 4.29Å; Q198-E202 HydrophobicContact CB-CG 4.33Å; Q198-E202 HydrophobicContact CG-CG 4.28Å; Q198-E202 PolarHBondContact NE2-OE1 2.88Å; G199-E202 WeakPolarHBondContact O-CB 3.05Å; G199-E202 PolarHBondContact O-N 3.32Å; E202-A206 PolarHBondContact O-N 3.27Å; E202-A206 VanDerWaalsContact O-N 3.11Å |
| 203 | L | 79.3 | Confident | 71.2 | Confident | 47 Ų | 47 | 67.7 Ų | 67.7 | 25% | 0.246 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 172 | -159.1 | 86.5 | 0 | 0 | 0 | 112.2 | P195 G199 E201 V207 L220 | P195-L203 HydrophobicContact CB-CD1 3.65Å; G199-L203 PolarHBondContact O-N 2.9Å; E201-L203 VanDerWaalsContact C-N 3.3Å; E201-L203 PolarHBondContact O-N 2.74Å; L203-V207 WeakPolarHBondContact O-CB 3.2Å; L203-V207 VanDerWaalsContact O-CG2 3.28Å; L203-V207 WeakPolarHBondContact O-CG2 3.49Å; L203-V207 PolarHBondContact O-N 2.88Å; L203-L220 HydrophobicContact CD1-CD2 3.76Å; L203-L220 HydrophobicContact CD2-CD2 3.92Å; L203-L220 HydrophobicContact CG-CD2 4Å |
| 204 | L | 76.8 | Confident | 73.3 | Confident | 92 Ų | 92 | 68.7 Ų | 68.7 | 48% | 0.482 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 176.8 | -81.8 | 166 | 0 | 0 | 0 | 111.7 | V200 E201 V207 A208 | V200-L204 HydrophobicContact CG1-CD1 4.19Å; V200-L204 WeakPolarHBondContact O-CB 3.27Å; V200-L204 VanDerWaalsContact O-CG 3.24Å; V200-L204 WeakPolarHBondContact O-CG 3.47Å; V200-L204 PolarHBondContact O-N 2.99Å; E201-L204 WeakPolarHBondContact O-CB 3.48Å; E201-L204 PolarHBondContact O-N 3.2Å; L204-V207 PolarHBondContact O-N 3.38Å; L204-A208 WeakPolarHBondContact O-CB 3.39Å; L204-A208 PolarHBondContact O-N 3.07Å |
| 205 | E | 77.6 | Confident | 75 | Confident | 130 Ų | 130 | 67.3 Ų | 67.3 | 61% | 0.607 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.9 | -47.1 | 176.8 | -173 | 173.9 | -166.8 | 0 | 0 | 111.5 | E201 V207 A208 | E201-E205 PolarHBondContact O-N 3.16Å; E205-V207 PolarHBondContact O-N 3.47Å; E205-A208 WeakPolarHBondContact O-CB 2.99Å; E205-A208 PolarHBondContact O-N 2.77Å |
| 206 | A | 78.5 | Confident | 76.7 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 21% | 0.207 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E202 A208 V209 Y219 | E202-A206 PolarHBondContact O-N 3.27Å; E202-A206 VanDerWaalsContact O-N 3.11Å; A206-A208 VanDerWaalsContact C-N 3.33Å; A206-A208 PolarHBondContact O-N 2.93Å; A206-V209 PolarHBondContact O-N 3Å; A206-Y219 HydrophobicContact CB-CE1 3.67Å; A206-Y219 WeakPolarHBondContact CB-OH 3.33Å |
| 207 | V | 84.4 | Confident | 78.3 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 22% | 0.224 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.1 | -29.3 | 179.3 | 166.3 | 0 | 0 | 0 | 0 | 112.7 | L203 L204 E205 V209 L210 V216 Y219 L220 R259 | L203-V207 WeakPolarHBondContact O-CB 3.2Å; L203-V207 VanDerWaalsContact O-CG2 3.28Å; L203-V207 WeakPolarHBondContact O-CG2 3.49Å; L203-V207 PolarHBondContact O-N 2.88Å; L204-V207 PolarHBondContact O-N 3.38Å; E205-V207 PolarHBondContact O-N 3.47Å; V207-V209 VanDerWaalsContact C-N 3.32Å; V207-V209 PolarHBondContact O-N 2.83Å; V207-L210 PolarHBondContact O-N 3.37Å; V207-V216 HydrophobicContact CG1-CG1 4.13Å; V207-V216 HydrophobicContact CG1-CG2 4.04Å; V207-V216 HydrophobicContact CG2-CG1 4.28Å; V207-Y219 HydrophobicContact CG2-CD1 4.47Å; V207-L220 HydrophobicContact CG2-CD2 4.4Å; V207-R259 PolarHBondContact O-NH2 3.15Å |
| 208 | A | 77.5 | Confident | 79.9 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 47% | 0.471 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | L204 E205 A206 R259 | L204-A208 WeakPolarHBondContact O-CB 3.39Å; L204-A208 PolarHBondContact O-N 3.07Å; E205-A208 WeakPolarHBondContact O-CB 2.99Å; E205-A208 PolarHBondContact O-N 2.77Å; A206-A208 VanDerWaalsContact C-N 3.33Å; A206-A208 PolarHBondContact O-N 2.93Å; A208-R259 PolarHBondContact O-NH2 3.42Å |
| 209 | V | 78.2 | Confident | 81.1 | Confident | 119 Ų | 119 | 61.8 Ų | 61.8 | 72% | 0.721 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -69.7 | -30.1 | -177.4 | 179.8 | 0 | 0 | 0 | 0 | 113 | A206 V207 | A206-V209 PolarHBondContact O-N 3Å; V207-V209 VanDerWaalsContact C-N 3.32Å; V207-V209 PolarHBondContact O-N 2.83Å |
| 210 | L | 84.6 | Confident | 81.9 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 21% | 0.209 | 34% | 0.343 | C | S | . | . | trans | -63.9 | 171.3 | -173.9 | -57.4 | 176.9 | 0 | 0 | 0 | 113.1 | V207 D215 V216 Y219 R259 R263 | V207-L210 PolarHBondContact O-N 3.37Å; L210-D215 HydrophobicContact CB-CB 4.03Å; L210-D215 HydrophobicContact CD1-CB 4.42Å; L210-D215 HydrophobicContact CD2-CB 4.36Å; L210-D215 HydrophobicContact CG-CB 4.5Å; L210-V216 HydrophobicContact CB-CG2 4.27Å; L210-V216 HydrophobicContact CD1-CB 4.42Å; L210-V216 HydrophobicContact CD1-CG2 3.95Å; L210-Y219 HydrophobicContact CD1-CG 4.24Å; L210-R259 PolarHBondContact O-NE 2.86Å; L210-R259 PolarHBondContact O-NH1 2.9Å; L210-R259 PolarHBondContact O-NH2 2.97Å; L210-R263 PolarHBondContact O-NH2 3.41Å | ||
| 211 | S | 79.5 | Confident | 82.5 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 42% | 0.42 | 33% | 0.332 | S | S | . | . | trans | -103.5 | -64.3 | 179.3 | 21.9 | 0 | 0 | 0 | 0 | 112.8 | D215 R259 | S211-D215 WeakPolarHBondContact CB-OD2 2.99Å; S211-D215 PolarHBondContact N-OD2 2.97Å; S211-D215 PolarHBondContact OG-OD2 3.4Å; S211-R259 WeakPolarHBondContact O-CD 3.36Å; S211-R259 PolarHBondContact O-NH1 3.47Å | ||
| 212 | T | 87.6 | Confident | 82.9 | Confident | 37 Ų | 37 | 62.7 Ų | 62.7 | 23% | 0.227 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -103.1 | 165.3 | -168.7 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | E214 D215 V216 N256 | T212-E214 PolarHBondContact O-N 3.4Å; T212-E214 WeakPolarHBondContact OG1-CB 3.05Å; T212-E214 PolarHBondContact OG1-N 3.24Å; T212-D215 PolarHBondContact N-OD2 2.94Å; T212-D215 PolarHBondContact O-N 2.79Å; T212-D215 PolarHBondContact OG1-N 3.01Å; T212-D215 PolarHBondContact OG1-OD1 2.03Å; T212-D215 PolarHBondContact OG1-OD2 3.18Å; T212-V216 WeakPolarHBondContact O-CG2 3.44Å; T212-V216 PolarHBondContact O-N 3.26Å; T212-N256 VanDerWaalsContact CA-OD1 3.23Å; T212-N256 WeakPolarHBondContact CA-OD1 3.39Å |
| 213 | V | 86.2 | Confident | 83.3 | Confident | 27 Ų | 27 | 64.9 Ų | 64.9 | 16% | 0.164 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.2 | -36.7 | 166.7 | 177 | 0 | 0 | 0 | 0 | 110.8 | D215 V216 M217 L255 N256 | V213-D215 VanDerWaalsContact C-N 3.35Å; V213-D215 PolarHBondContact O-N 2.86Å; V213-V216 PolarHBondContact O-N 3Å; V213-M217 HydrophobicContact CG1-CG 4.16Å; V213-M217 WeakPolarHBondContact O-CG 3.47Å; V213-M217 PolarHBondContact O-N 3.45Å; V213-L255 HydrophobicContact CG2-CB 3.72Å; V213-L255 HydrophobicContact CG2-CD1 4.05Å; V213-L255 HydrophobicContact CG2-CG 4.47Å; V213-N256 PolarHBondContact N-OD1 3.26Å |
| 214 | E | 86.9 | Confident | 83.5 | Confident | 81 Ų | 81 | 69.3 Ų | 69.3 | 38% | 0.379 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 176 | -60.4 | 178.7 | -146.4 | 0 | 0 | 111.7 | T212 V216 M217 K218 M229 | T212-E214 PolarHBondContact O-N 3.4Å; T212-E214 WeakPolarHBondContact OG1-CB 3.05Å; T212-E214 PolarHBondContact OG1-N 3.24Å; E214-V216 VanDerWaalsContact C-N 3.27Å; E214-V216 PolarHBondContact O-N 2.97Å; E214-M217 PolarHBondContact O-N 3.12Å; E214-K218 HydrophobicContact CB-CD 4.4Å; E214-K218 VanDerWaalsContact O-CB 3.28Å; E214-K218 WeakPolarHBondContact O-CB 3.21Å; E214-K218 WeakPolarHBondContact O-CD 3.33Å; E214-K218 WeakPolarHBondContact O-CG 3.46Å; E214-K218 PolarHBondContact O-N 3.47Å; E214-K218 IonicContact OE2-NZ 2.71Å; E214-K218 PolarHBondContact OE2-NZ 3.1Å; E214-M229 HydrophobicContact CB-SD 4.12Å; E214-M229 HydrophobicContact CG-CE 3.66Å; E214-M229 HydrophobicContact CG-SD 3.67Å |
| 215 | D | 87.2 | Confident | 83.9 | Confident | 43 Ų | 43 | 67.9 Ų | 67.9 | 23% | 0.23 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 179.5 | -54.9 | -35 | 0 | 0 | 0 | 110.7 | L210 S211 T212 V213 Y219 | L210-D215 HydrophobicContact CB-CB 4.03Å; L210-D215 HydrophobicContact CD1-CB 4.42Å; L210-D215 HydrophobicContact CD2-CB 4.36Å; L210-D215 HydrophobicContact CG-CB 4.5Å; S211-D215 WeakPolarHBondContact CB-OD2 2.99Å; S211-D215 PolarHBondContact N-OD2 2.97Å; S211-D215 PolarHBondContact OG-OD2 3.4Å; T212-D215 PolarHBondContact N-OD2 2.94Å; T212-D215 PolarHBondContact O-N 2.79Å; T212-D215 PolarHBondContact OG1-N 3.01Å; T212-D215 PolarHBondContact OG1-OD1 2.03Å; T212-D215 PolarHBondContact OG1-OD2 3.18Å; V213-D215 VanDerWaalsContact C-N 3.35Å; V213-D215 PolarHBondContact O-N 2.86Å; D215-Y219 VanDerWaalsContact O-CB 3.32Å; D215-Y219 WeakPolarHBondContact O-CB 3.36Å; D215-Y219 PolarHBondContact O-N 2.82Å |
| 216 | V | 89.2 | Confident | 84.1 | Confident | 25 Ų | 25 | 65.3 Ų | 65.3 | 15% | 0.152 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.4 | -49.2 | 177.1 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | V207 L210 T212 V213 E214 K218 Y219 L220 | V207-V216 HydrophobicContact CG1-CG1 4.13Å; V207-V216 HydrophobicContact CG1-CG2 4.04Å; V207-V216 HydrophobicContact CG2-CG1 4.28Å; L210-V216 HydrophobicContact CB-CG2 4.27Å; L210-V216 HydrophobicContact CD1-CB 4.42Å; L210-V216 HydrophobicContact CD1-CG2 3.95Å; T212-V216 WeakPolarHBondContact O-CG2 3.44Å; T212-V216 PolarHBondContact O-N 3.26Å; V213-V216 PolarHBondContact O-N 3Å; E214-V216 VanDerWaalsContact C-N 3.27Å; E214-V216 PolarHBondContact O-N 2.97Å; V216-K218 PolarHBondContact O-N 3.19Å; V216-Y219 PolarHBondContact O-N 2.77Å; V216-L220 HydrophobicContact CG1-CD1 3.77Å; V216-L220 HydrophobicContact CG1-CG 4.36Å; V216-L220 VanDerWaalsContact O-CG 3.3Å; V216-L220 WeakPolarHBondContact O-CG 3.35Å; V216-L220 PolarHBondContact O-N 3.35Å |
| 217 | M | 87.8 | Confident | 84.4 | Confident | 35 Ų | 35 | 67 Ų | 67 | 17% | 0.172 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66 | -40 | 179.8 | -60.2 | -54.5 | -67.3 | 0 | 0 | 111.6 | V213 E214 Y219 L220 E221 W225 D228 M229 L232 | V213-M217 HydrophobicContact CG1-CG 4.16Å; V213-M217 WeakPolarHBondContact O-CG 3.47Å; V213-M217 PolarHBondContact O-N 3.45Å; E214-M217 PolarHBondContact O-N 3.12Å; M217-Y219 VanDerWaalsContact C-N 3.28Å; M217-Y219 PolarHBondContact O-N 2.62Å; M217-L220 PolarHBondContact O-N 2.88Å; M217-E221 CarbonylContact O-C 3.58Å; M217-E221 PolarHBondContact O-N 3.33Å; M217-W225 VanDerWaalsContact C-CB 3.49Å; M217-W225 HydrophobicContact CB-CB 3.68Å; M217-D228 HydrophobicContact CE-CB 3.44Å; M217-D228 VanDerWaalsContact CE-CB 3.44Å; M217-M229 HydrophobicContact CB-CG 4.39Å; M217-M229 HydrophobicContact CG-CG 4.04Å; M217-L232 HydrophobicContact CE-CD1 4.33Å; M217-L232 HydrophobicContact SD-CD1 4.33Å |
| 218 | K | 86.3 | Confident | 84.2 | Confident | 68 Ų | 68 | 66.6 Ų | 66.6 | 30% | 0.296 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.2 | -32 | 173.7 | -71.1 | 162.9 | -167.4 | 163.1 | 0 | 112.8 | E214 V216 P222 W225 | E214-K218 HydrophobicContact CB-CD 4.4Å; E214-K218 VanDerWaalsContact O-CB 3.28Å; E214-K218 WeakPolarHBondContact O-CB 3.21Å; E214-K218 WeakPolarHBondContact O-CD 3.33Å; E214-K218 WeakPolarHBondContact O-CG 3.46Å; E214-K218 PolarHBondContact O-N 3.47Å; E214-K218 IonicContact OE2-NZ 2.71Å; E214-K218 PolarHBondContact OE2-NZ 3.1Å; V216-K218 PolarHBondContact O-N 3.19Å; K218-P222 WeakPolarHBondContact O-CA 3.35Å; K218-P222 WeakPolarHBondContact O-CB 3.39Å; K218-P222 VanDerWaalsContact O-CG 3.27Å; K218-P222 WeakPolarHBondContact O-CG 3.45Å; K218-W225 HydrophobicContact CB-CG 4.49Å; K218-W225 HydrophobicContact CD-CD2 4.39Å; K218-W225 HydrophobicContact CD-CE3 4.48Å; K218-W225 HydrophobicContact CD-CZ2 4.41Å; K218-W225 HydrophobicContact CG-CB 4.4Å; K218-W225 HydrophobicContact CG-CD2 3.49Å; K218-W225 VanDerWaalsContact CG-CD2 3.49Å; K218-W225 HydrophobicContact CG-CE3 3.92Å; K218-W225 HydrophobicContact CG-CG 3.72Å; K218-W225 HydrophobicContact CG-CZ2 4.22Å; K218-W225 HydrophobicContact CG-CZ3 4.44Å |
| 219 | Y | 86.3 | Confident | 84.3 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 26% | 0.255 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -76.6 | -42.2 | 176.4 | -178 | -99.3 | 0 | 0 | 0 | 112.2 | P195 A206 V207 L210 D215 V216 M217 | P195-Y219 HydrophobicContact CB-CE1 4.38Å; A206-Y219 HydrophobicContact CB-CE1 3.67Å; A206-Y219 WeakPolarHBondContact CB-OH 3.33Å; V207-Y219 HydrophobicContact CG2-CD1 4.47Å; L210-Y219 HydrophobicContact CD1-CG 4.24Å; D215-Y219 VanDerWaalsContact O-CB 3.32Å; D215-Y219 WeakPolarHBondContact O-CB 3.36Å; D215-Y219 PolarHBondContact O-N 2.82Å; V216-Y219 PolarHBondContact O-N 2.77Å; M217-Y219 VanDerWaalsContact C-N 3.28Å; M217-Y219 PolarHBondContact O-N 2.62Å |
| 220 | L | 85.8 | Confident | 84.3 | Confident | 62 Ų | 62 | 64.5 Ų | 64.5 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -75.5 | -51.2 | -176.7 | -65.4 | 175.1 | 0 | 0 | 0 | 112.8 | L203 V207 V216 M217 | L203-L220 HydrophobicContact CD1-CD2 3.76Å; L203-L220 HydrophobicContact CD2-CD2 3.92Å; L203-L220 HydrophobicContact CG-CD2 4Å; V207-L220 HydrophobicContact CG2-CD2 4.4Å; V216-L220 HydrophobicContact CG1-CD1 3.77Å; V216-L220 HydrophobicContact CG1-CG 4.36Å; V216-L220 VanDerWaalsContact O-CG 3.3Å; V216-L220 WeakPolarHBondContact O-CG 3.35Å; V216-L220 PolarHBondContact O-N 3.35Å; M217-L220 PolarHBondContact O-N 2.88Å |
| 221 | E | 85.8 | Confident | 84 | Confident | 101 Ų | 101 | 69.1 Ų | 69.1 | 47% | 0.472 | 34% | 0.337 | S | S | . | . | trans | -131 | 78 | 178 | -68.2 | -161.7 | -148.5 | 0 | 0 | 111.1 | M217 E223 R224 W225 | M217-E221 CarbonylContact O-C 3.58Å; M217-E221 PolarHBondContact O-N 3.33Å; E221-E223 PolarHBondContact O-N 3.42Å; E221-R224 HydrophobicContact CB-CB 4.14Å; E221-R224 PolarHBondContact O-N 3.29Å; E221-W225 PolarHBondContact O-N 2.83Å | ||
| 222 | P | 83.4 | Confident | 83.5 | Confident | 85 Ų | 85 | 71.6 Ų | 71.6 | 55% | 0.552 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -23.5 | -176.4 | -21.5 | 27.4 | 0 | 0 | 0 | 115 | K218 | K218-P222 WeakPolarHBondContact O-CA 3.35Å; K218-P222 WeakPolarHBondContact O-CB 3.39Å; K218-P222 VanDerWaalsContact O-CG 3.27Å; K218-P222 WeakPolarHBondContact O-CG 3.45Å |
| 223 | E | 80.3 | Confident | 82.6 | Confident | 126 Ų | 126 | 76.5 Ų | 76.5 | 59% | 0.589 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -7.2 | -178.5 | -68 | -69.9 | -166.8 | 0 | 0 | 114 | K151 E221 | K151-E223 VanDerWaalsContact CD-OE2 3.26Å; K151-E223 WeakPolarHBondContact CD-OE2 3.11Å; K151-E223 WeakPolarHBondContact CE-OE2 3.5Å; K151-E223 IonicContact NZ-OE1 2.71Å; K151-E223 PolarHBondContact NZ-OE1 2.96Å; K151-E223 IonicContact NZ-OE2 3.56Å; K151-E223 PolarHBondContact NZ-OE2 3.23Å; E221-E223 PolarHBondContact O-N 3.42Å |
| 224 | R | 84.2 | Confident | 81.6 | Confident | 141 Ų | 141 | 80.3 Ų | 80.3 | 53% | 0.532 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | -17.9 | -172.3 | -148.2 | 179.8 | -165.4 | -160.8 | -1.6 | 115.9 | E221 Q226 L227 D228 | E221-R224 HydrophobicContact CB-CB 4.14Å; E221-R224 PolarHBondContact O-N 3.29Å; R224-Q226 PolarHBondContact O-N 2.04Å; R224-L227 HydrophobicContact CG-CB 4.39Å; R224-L227 HydrophobicContact CG-CD1 4.22Å; R224-L227 PolarHBondContact O-N 3.26Å; R224-D228 WeakPolarHBondContact CB-OD2 3.24Å; R224-D228 PolarHBondContact O-N 2.76Å |
| 225 | W | 85.3 | Confident | 80.2 | Confident | 61 Ų | 61 | 81 Ų | 81 | 23% | 0.231 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -42 | -32.4 | -173.4 | 72.2 | -86.1 | 0 | 0 | 0 | 116.9 | M217 K218 E221 D228 M229 | M217-W225 VanDerWaalsContact C-CB 3.49Å; M217-W225 HydrophobicContact CB-CB 3.68Å; K218-W225 HydrophobicContact CB-CG 4.49Å; K218-W225 HydrophobicContact CD-CD2 4.39Å; K218-W225 HydrophobicContact CD-CE3 4.48Å; K218-W225 HydrophobicContact CD-CZ2 4.41Å; K218-W225 HydrophobicContact CG-CB 4.4Å; K218-W225 HydrophobicContact CG-CD2 3.49Å; K218-W225 VanDerWaalsContact CG-CD2 3.49Å; K218-W225 HydrophobicContact CG-CE3 3.92Å; K218-W225 HydrophobicContact CG-CG 3.72Å; K218-W225 HydrophobicContact CG-CZ2 4.22Å; K218-W225 HydrophobicContact CG-CZ3 4.44Å; E221-W225 PolarHBondContact O-N 2.83Å; W225-D228 WeakPolarHBondContact CA-OD2 3.31Å; W225-D228 PolarHBondContact N-OD2 3.27Å; W225-M229 HydrophobicContact CE3-SD 3.87Å; W225-M229 HydrophobicContact CZ3-SD 4.09Å; W225-M229 VanDerWaalsContact O-CB 3.31Å; W225-M229 WeakPolarHBondContact O-CB 3.3Å; W225-M229 VanDerWaalsContact O-CG 3.28Å; W225-M229 WeakPolarHBondContact O-CG 3.31Å; W225-M229 PolarHBondContact O-N 2.99Å |
| 226 | Q | 81.3 | Confident | 78.6 | Confident | 76 Ų | 76 | 84.2 Ų | 84.2 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.1 | -48.9 | 176.7 | -63.4 | -170.5 | -26.6 | 0 | 0 | 112.3 | S148 R224 D228 M229 E230 | S148-Q226 PolarHBondContact OG-OE1 2.78Å; R224-Q226 PolarHBondContact O-N 2.04Å; Q226-D228 VanDerWaalsContact C-N 3.32Å; Q226-D228 PolarHBondContact O-N 3.04Å; Q226-M229 PolarHBondContact O-N 2.5Å; Q226-E230 WeakPolarHBondContact O-CG 3.14Å; Q226-E230 PolarHBondContact O-N 3.29Å |
| 227 | L | 84.1 | Confident | 76.7 | Confident | 62 Ų | 62 | 94.1 Ų | 94.1 | 33% | 0.325 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 178.8 | -64.1 | 173.4 | 0 | 0 | 0 | 110.7 | R224 E230 E231 | R224-L227 HydrophobicContact CG-CB 4.39Å; R224-L227 HydrophobicContact CG-CD1 4.22Å; R224-L227 PolarHBondContact O-N 3.26Å; L227-E230 PolarHBondContact O-N 2.81Å; L227-E231 PolarHBondContact O-N 3.13Å |
| 228 | D | 80.4 | Confident | 75 | Confident | 27 Ų | 27 | 99.1 Ų | 99.1 | 14% | 0.144 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 179 | -47.1 | -43.7 | 0 | 0 | 0 | 111 | M217 R224 W225 Q226 E231 L232 | M217-D228 HydrophobicContact CE-CB 3.44Å; M217-D228 VanDerWaalsContact CE-CB 3.44Å; R224-D228 WeakPolarHBondContact CB-OD2 3.24Å; R224-D228 PolarHBondContact O-N 2.76Å; W225-D228 WeakPolarHBondContact CA-OD2 3.31Å; W225-D228 PolarHBondContact N-OD2 3.27Å; Q226-D228 VanDerWaalsContact C-N 3.32Å; Q226-D228 PolarHBondContact O-N 3.04Å; D228-E231 PolarHBondContact O-N 3.16Å; D228-L232 WeakPolarHBondContact O-CB 3.14Å; D228-L232 VanDerWaalsContact O-CG 3.28Å; D228-L232 WeakPolarHBondContact O-CG 3.21Å; D228-L232 PolarHBondContact O-N 3.44Å |
| 229 | M | 80.5 | Confident | 73.2 | Confident | 27 Ų | 27 | 103 Ų | 103 | 13% | 0.133 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 172.5 | -80.3 | -168.6 | 68 | 0 | 0 | 112.6 | E214 M217 W225 Q226 E231 L232 Y233 | E214-M229 HydrophobicContact CB-SD 4.12Å; E214-M229 HydrophobicContact CG-CE 3.66Å; E214-M229 HydrophobicContact CG-SD 3.67Å; M217-M229 HydrophobicContact CB-CG 4.39Å; M217-M229 HydrophobicContact CG-CG 4.04Å; W225-M229 HydrophobicContact CE3-SD 3.87Å; W225-M229 HydrophobicContact CZ3-SD 4.09Å; W225-M229 VanDerWaalsContact O-CB 3.31Å; W225-M229 WeakPolarHBondContact O-CB 3.3Å; W225-M229 VanDerWaalsContact O-CG 3.28Å; W225-M229 WeakPolarHBondContact O-CG 3.31Å; W225-M229 PolarHBondContact O-N 2.99Å; Q226-M229 PolarHBondContact O-N 2.5Å; M229-E231 PolarHBondContact O-N 2.84Å; M229-L232 PolarHBondContact O-N 3.37Å; M229-Y233 HydrophobicContact CE-CE2 3.9Å; M229-Y233 WeakPolarHBondContact O-CD2 3.1Å; M229-Y233 PolarHBondContact O-N 3.18Å; M229-Y233 VanDerWaalsContact O-N 3.12Å |
| 230 | E | 77.5 | Confident | 71.6 | Confident | 105 Ų | 105 | 105.2 Ų | 105.2 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.2 | -38.3 | 172.5 | -76.5 | -177.7 | -167.3 | 0 | 0 | 111.6 | Q226 L227 Y233 K234 | Q226-E230 WeakPolarHBondContact O-CG 3.14Å; Q226-E230 PolarHBondContact O-N 3.29Å; L227-E230 PolarHBondContact O-N 2.81Å; E230-Y233 PolarHBondContact O-N 2.82Å; E230-K234 WeakPolarHBondContact O-CE 3.4Å; E230-K234 VanDerWaalsContact O-CG 3.27Å; E230-K234 WeakPolarHBondContact O-CG 3.31Å; E230-K234 PolarHBondContact O-N 3.17Å; E230-K234 VanDerWaalsContact O-N 3.1Å |
| 231 | E | 78.7 | Confident | 69.9 | Low | 138 Ų | 138 | 104.2 Ų | 104.2 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.8 | -40.9 | 175.4 | -167.8 | 163.5 | 164 | 0 | 0 | 113.1 | L227 D228 M229 Y233 K234 | L227-E231 PolarHBondContact O-N 3.13Å; D228-E231 PolarHBondContact O-N 3.16Å; M229-E231 PolarHBondContact O-N 2.84Å; E231-Y233 PolarHBondContact O-N 2.93Å; E231-K234 PolarHBondContact O-N 3.24Å |
| 232 | L | 69.8 | Low | 68.3 | Low | 112 Ų | 112 | 108.5 Ų | 108.5 | 59% | 0.586 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60 | -29.7 | 174.3 | -75.3 | 167.1 | 0 | 0 | 0 | 113.4 | M217 D228 M229 | M217-L232 HydrophobicContact CE-CD1 4.33Å; M217-L232 HydrophobicContact SD-CD1 4.33Å; D228-L232 WeakPolarHBondContact O-CB 3.14Å; D228-L232 VanDerWaalsContact O-CG 3.28Å; D228-L232 WeakPolarHBondContact O-CG 3.21Å; D228-L232 PolarHBondContact O-N 3.44Å; M229-L232 PolarHBondContact O-N 3.37Å |
| 233 | Y | 67.4 | Low | 66.9 | Low | 139 Ų | 139 | 109.4 Ų | 109.4 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -96.5 | -5.6 | 177.1 | -69 | -65.3 | 0 | 0 | 0 | 114.9 | M229 E230 E231 | M229-Y233 HydrophobicContact CE-CE2 3.9Å; M229-Y233 WeakPolarHBondContact O-CD2 3.1Å; M229-Y233 PolarHBondContact O-N 3.18Å; M229-Y233 VanDerWaalsContact O-N 3.12Å; E230-Y233 PolarHBondContact O-N 2.82Å; E231-Y233 PolarHBondContact O-N 2.93Å |
| 234 | K | 66.5 | Low | 65.4 | Low | 107 Ų | 107 | 109.7 Ų | 109.7 | 47% | 0.465 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -63.7 | 129.8 | 174.7 | -85 | 160.4 | -151.5 | 156.5 | 0 | 110.3 | E230 E231 T236 | E230-K234 WeakPolarHBondContact O-CE 3.4Å; E230-K234 VanDerWaalsContact O-CG 3.27Å; E230-K234 WeakPolarHBondContact O-CG 3.31Å; E230-K234 PolarHBondContact O-N 3.17Å; E230-K234 VanDerWaalsContact O-N 3.1Å; E231-K234 PolarHBondContact O-N 3.24Å; K234-T236 PolarHBondContact O-N 3.17Å |
| 235 | P | 56.8 | Low | 63.8 | Low | 95 Ų | 95 | 109 Ų | 109 | 62% | 0.617 | 55% | 0.545 | S | S | * | . | trans | -67.9 | 102.5 | -178 | 26.9 | -33.8 | 0 | 0 | 0 | 110.6 | W237 | P235-W237 PolarHBondContact O-N 3.08Š| ||
| 236 | T | 53.2 | Low | 62 | Low | 112 Ų | 112 | 114.1 Ų | 114.1 | 69% | 0.687 | 58% | 0.576 | S | S | * | * | trans | -73.2 | 97 | -178.9 | 5.5 | 0 | 0 | 0 | 0 | 110.4 | K234 H238 | K234-T236 PolarHBondContact O-N 3.17Å; T236-H238 PolarHBondContact O-N 3.13Å | ||
| 237 | W | 49.2 | Very low | 60.2 | Low | 233 Ų | 233 | 117.4 Ų | 117.4 | 88% | 0.883 | 60% | 0.596 | S | S | * | * | trans | -71.4 | 51.3 | 179.8 | -67.1 | 106.4 | 0 | 0 | 0 | 114.2 | P235 | P235-W237 PolarHBondContact O-N 3.08Š| ||
| 238 | H | 52.6 | Low | 58.3 | Low | 140 Ų | 140 | 125.6 Ų | 125.6 | 65% | 0.648 | 62% | 0.623 | S | S | * | * | trans | -65.4 | 136.9 | 163.8 | -69.8 | 101.4 | 0 | 0 | 0 | 109.8 | T236 L240 | T236-H238 PolarHBondContact O-N 3.13Å; H238-L240 VanDerWaalsContact C-N 3.27Å; H238-L240 PolarHBondContact O-N 3.4Å | ||
| 239 | V | 48.1 | Very low | 56.6 | Low | 150 Ų | 150 | 132.4 Ų | 132.4 | 91% | 0.909 | 65% | 0.651 | S | S | * | * | trans | -74.5 | 79.4 | -178 | -174.8 | 0 | 0 | 0 | 0 | 110.1 | G241 | V239-G241 PolarHBondContact O-N 2.81Š| ||
| 240 | L | 52.2 | Low | 54.9 | Low | 111 Ų | 111 | 135.2 Ų | 135.2 | 58% | 0.581 | 68% | 0.679 | S | S | * | * | trans | -67.6 | 124.9 | 177.2 | -66.6 | 176.7 | 0 | 0 | 0 | 110.5 | H238 F244 | H238-L240 VanDerWaalsContact C-N 3.27Å; H238-L240 PolarHBondContact O-N 3.4Å; L240-F244 HydrophobicContact CB-CB 4.15Å; L240-F244 HydrophobicContact CB-CD2 4.23Å; L240-F244 HydrophobicContact CB-CG 4.09Å; L240-F244 HydrophobicContact CD1-CD1 4.15Å; L240-F244 HydrophobicContact CD1-CG 4.4Å; L240-F244 HydrophobicContact CD2-CD1 4.25Å; L240-F244 HydrophobicContact CD2-CD2 4.33Å; L240-F244 HydrophobicContact CD2-CE1 4.12Å; L240-F244 HydrophobicContact CD2-CE2 4.21Å; L240-F244 HydrophobicContact CD2-CG 4.35Å; L240-F244 HydrophobicContact CD2-CZ 4.1Å | ||
| 241 | G | 50.7 | Low | 53.7 | Low | 40 Ų | 40 | 141.9 Ų | 141.9 | 41% | 0.412 | 70% | 0.699 | S | S | . | * | trans | -60.4 | 152.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V239 S243 F244 | V239-G241 PolarHBondContact O-N 2.81Å; G241-S243 PolarHBondContact O-N 2.03Å; G241-F244 WeakPolarHBondContact O-CB 3.49Å; G241-F244 PolarHBondContact O-N 2.99Å | ||
| 242 | K | 53 | Low | 52.7 | Low | 192 Ų | 192 | 138.6 Ų | 138.6 | 84% | 0.835 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -54.9 | -19.6 | -171 | -64.5 | -179.2 | 179 | 179.4 | 0 | 115.2 | F244 I245 | K242-F244 VanDerWaalsContact C-N 3.29Å; K242-F244 PolarHBondContact O-N 2.66Å; K242-I245 HydrophobicContact CB-CD1 4.4Å; K242-I245 PolarHBondContact O-N 3.45Å |
| 243 | S | 52.6 | Low | 52.4 | Low | 104 Ų | 104 | 135.4 Ų | 135.4 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -64.2 | -24.7 | 171.9 | 41.9 | 0 | 0 | 0 | 0 | 114.5 | G241 I245 | G241-S243 PolarHBondContact O-N 2.03Å; S243-I245 VanDerWaalsContact C-N 3.29Å; S243-I245 PolarHBondContact O-N 2.03Å |
| 244 | F | 49.3 | Very low | 53 | Low | 131 Ų | 131 | 132.7 Ų | 132.7 | 58% | 0.575 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -70.9 | -21.2 | 176.7 | -84.9 | -98.8 | 0 | 0 | 0 | 113.7 | L240 G241 K242 L246 N247 | L240-F244 HydrophobicContact CB-CB 4.15Å; L240-F244 HydrophobicContact CB-CD2 4.23Å; L240-F244 HydrophobicContact CB-CG 4.09Å; L240-F244 HydrophobicContact CD1-CD1 4.15Å; L240-F244 HydrophobicContact CD1-CG 4.4Å; L240-F244 HydrophobicContact CD2-CD1 4.25Å; L240-F244 HydrophobicContact CD2-CD2 4.33Å; L240-F244 HydrophobicContact CD2-CE1 4.12Å; L240-F244 HydrophobicContact CD2-CE2 4.21Å; L240-F244 HydrophobicContact CD2-CG 4.35Å; L240-F244 HydrophobicContact CD2-CZ 4.1Å; G241-F244 WeakPolarHBondContact O-CB 3.49Å; G241-F244 PolarHBondContact O-N 2.99Å; K242-F244 VanDerWaalsContact C-N 3.29Å; K242-F244 PolarHBondContact O-N 2.66Å; F244-L246 VanDerWaalsContact C-N 3.31Å; F244-L246 PolarHBondContact O-N 3.39Å; F244-N247 PolarHBondContact O-N 2.9Å |
| 245 | I | 50 | Low | 53.8 | Low | 127 Ų | 127 | 132.3 Ų | 132.3 | 65% | 0.651 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -70.5 | -26.8 | -168.2 | -59.3 | 175.4 | 0 | 0 | 0 | 112.5 | K242 S243 N247 | K242-I245 HydrophobicContact CB-CD1 4.4Å; K242-I245 PolarHBondContact O-N 3.45Å; S243-I245 VanDerWaalsContact C-N 3.29Å; S243-I245 PolarHBondContact O-N 2.03Å; I245-N247 PolarHBondContact O-N 3.01Å |
| 246 | L | 48.8 | Very low | 55.1 | Low | 168 Ų | 168 | 130 Ų | 130 | 88% | 0.88 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -74.7 | -20 | -177.5 | -88.2 | 166.7 | 0 | 0 | 0 | 114.5 | F244 | F244-L246 VanDerWaalsContact C-N 3.31Å; F244-L246 PolarHBondContact O-N 3.39Å |
| 247 | N | 43.2 | Very low | 56.6 | Low | 146 Ų | 146 | 129.3 Ų | 129.3 | 78% | 0.781 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -118.6 | 66.4 | -179.1 | -144.2 | 1.9 | 0 | 0 | 0 | 110 | F244 I245 K249 | F244-N247 PolarHBondContact O-N 2.9Å; I245-N247 PolarHBondContact O-N 3.01Å; N247-K249 PolarHBondContact O-N 3.01Å |
| 248 | R | 44 | Very low | 58.1 | Low | 233 Ų | 233 | 122.2 Ų | 122.2 | 88% | 0.879 | 64% | 0.641 | S | S | * | * | trans | -68.6 | 72.8 | -178.4 | -166.1 | -175.1 | -168.2 | -176.1 | 4.7 | 111.2 | A250 | R248-A250 PolarHBondContact O-N 3.29Š| ||
| 249 | K | 45.2 | Very low | 59.6 | Low | 171 Ų | 171 | 118.5 Ų | 118.5 | 74% | 0.743 | 62% | 0.621 | S | S | * | * | trans | -50.3 | 127.1 | 150.5 | -89.8 | -169.6 | 171.9 | -174 | 0 | 106.4 | N247 | N247-K249 PolarHBondContact O-N 3.01Š| ||
| 250 | A | 45.3 | Very low | 61.2 | Low | 86 Ų | 86 | 115.9 Ų | 115.9 | 71% | 0.711 | 60% | 0.599 | S | S | * | * | trans | -62 | 175.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | R248 | R248-A250 PolarHBondContact O-N 3.29Š| ||
| 251 | R | 51.8 | Low | 62.6 | Low | 244 Ų | 244 | 115.4 Ų | 115.4 | 92% | 0.921 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -32.3 | 140.8 | 174.5 | -60.6 | 170.3 | -179.9 | 162.1 | -4.1 | 112 | ||
| 252 | G | 57 | Low | 64.1 | Low | 69 Ų | 69 | 116.6 Ų | 116.6 | 71% | 0.711 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -28.8 | 128.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D254 | G252-D254 PolarHBondContact O-N 2.88Š|
| 253 | A | 64.6 | Low | 65.4 | Low | 46 Ų | 46 | 111.8 Ų | 111.8 | 38% | 0.38 | 57% | 0.569 | S | S | . | * | trans | -55.4 | 128.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L255 | A253-L255 PolarHBondContact O-N 3.39Š| ||
| 254 | D | 79.6 | Confident | 66.6 | Low | 81 Ų | 81 | 112 Ų | 112 | 43% | 0.433 | 56% | 0.562 | S | S | . | * | trans | -60.8 | 106.9 | -179.4 | 179.7 | -10.1 | 0 | 0 | 0 | 110.3 | G252 N256 L257 Q258 | G252-D254 PolarHBondContact O-N 2.88Å; D254-N256 VanDerWaalsContact C-N 3.29Å; D254-N256 PolarHBondContact O-N 2.86Å; D254-N256 WeakPolarHBondContact OD1-CA 3.28Å; D254-N256 VanDerWaalsContact OD1-CB 3.29Å; D254-N256 WeakPolarHBondContact OD1-CB 3.31Å; D254-N256 PolarHBondContact OD1-N 3.36Å; D254-L257 HydrophobicContact CB-CB 3.86Å; D254-L257 PolarHBondContact O-N 3.17Å; D254-L257 PolarHBondContact OD1-N 3.47Å; D254-Q258 WeakPolarHBondContact O-CG 3.47Å; D254-Q258 PolarHBondContact O-N 2.9Å | ||
| 255 | L | 82.5 | Confident | 68.1 | Low | 99 Ų | 99 | 113 Ų | 113 | 52% | 0.518 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.8 | -26.1 | -177.5 | -58.3 | 179.3 | 0 | 0 | 0 | 112 | V213 A253 R259 | V213-L255 HydrophobicContact CG2-CB 3.72Å; V213-L255 HydrophobicContact CG2-CD1 4.05Å; V213-L255 HydrophobicContact CG2-CG 4.47Å; A253-L255 PolarHBondContact O-N 3.39Å; L255-R259 WeakPolarHBondContact O-CB 3.42Å; L255-R259 PolarHBondContact O-N 3.43Å |
| 256 | N | 84.7 | Confident | 69.7 | Low | 48 Ų | 48 | 107.8 Ų | 107.8 | 26% | 0.257 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.1 | -47.8 | 174.4 | -56.9 | -42.5 | 0 | 0 | 0 | 109.5 | T212 V213 D254 Q258 R259 E260 | T212-N256 VanDerWaalsContact CA-OD1 3.23Å; T212-N256 WeakPolarHBondContact CA-OD1 3.39Å; V213-N256 PolarHBondContact N-OD1 3.26Å; D254-N256 VanDerWaalsContact C-N 3.29Å; D254-N256 PolarHBondContact O-N 2.86Å; D254-N256 WeakPolarHBondContact OD1-CA 3.28Å; D254-N256 VanDerWaalsContact OD1-CB 3.29Å; D254-N256 WeakPolarHBondContact OD1-CB 3.31Å; D254-N256 PolarHBondContact OD1-N 3.36Å; N256-Q258 VanDerWaalsContact C-N 3.32Å; N256-Q258 PolarHBondContact O-N 3Å; N256-R259 PolarHBondContact O-N 3.02Å; N256-R259 VanDerWaalsContact O-N 3.17Å; N256-E260 PolarHBondContact O-N 2.64Å |
| 257 | L | 84.1 | Confident | 71.7 | Confident | 97 Ų | 97 | 100.6 Ų | 100.6 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 174.6 | -179.6 | 61.5 | 0 | 0 | 0 | 111.5 | D254 R259 E260 E261 | D254-L257 HydrophobicContact CB-CB 3.86Å; D254-L257 PolarHBondContact O-N 3.17Å; D254-L257 PolarHBondContact OD1-N 3.47Å; L257-R259 PolarHBondContact O-N 3.4Å; L257-E260 PolarHBondContact O-N 3.32Å; L257-E261 WeakPolarHBondContact O-CG 3.35Å; L257-E261 PolarHBondContact O-N 3.34Å |
| 258 | Q | 81.8 | Confident | 74 | Confident | 84 Ų | 84 | 95.3 Ų | 95.3 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 175.4 | -73.5 | -173.6 | -17.6 | 0 | 0 | 112.7 | D254 N256 V262 | D254-Q258 WeakPolarHBondContact O-CG 3.47Å; D254-Q258 PolarHBondContact O-N 2.9Å; N256-Q258 VanDerWaalsContact C-N 3.32Å; N256-Q258 PolarHBondContact O-N 3Å; Q258-V262 WeakPolarHBondContact O-CB 3.48Å; Q258-V262 VanDerWaalsContact O-CG2 3.28Å; Q258-V262 WeakPolarHBondContact O-CG2 3Å; Q258-V262 PolarHBondContact O-N 2.97Å |
| 259 | R | 83 | Confident | 76.5 | Confident | 61 Ų | 61 | 86.2 Ų | 86.2 | 23% | 0.23 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 174.5 | -163.3 | -173.8 | -162 | 148.4 | 6.6 | 111.4 | V207 A208 L210 S211 L255 N256 L257 V262 R263 | V207-R259 PolarHBondContact O-NH2 3.15Å; A208-R259 PolarHBondContact O-NH2 3.42Å; L210-R259 PolarHBondContact O-NE 2.86Å; L210-R259 PolarHBondContact O-NH1 2.9Å; L210-R259 PolarHBondContact O-NH2 2.97Å; S211-R259 WeakPolarHBondContact O-CD 3.36Å; S211-R259 PolarHBondContact O-NH1 3.47Å; L255-R259 WeakPolarHBondContact O-CB 3.42Å; L255-R259 PolarHBondContact O-N 3.43Å; N256-R259 PolarHBondContact O-N 3.02Å; N256-R259 VanDerWaalsContact O-N 3.17Å; L257-R259 PolarHBondContact O-N 3.4Å; R259-V262 PolarHBondContact O-N 2.96Å; R259-R263 WeakPolarHBondContact O-CB 3.37Å; R259-R263 WeakPolarHBondContact O-CG 3Å; R259-R263 PolarHBondContact O-N 2.69Å |
| 260 | E | 81.3 | Confident | 78.8 | Confident | 96 Ų | 96 | 81.8 Ų | 81.8 | 45% | 0.449 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -72 | -36.9 | 178.7 | -69.8 | -53.3 | 128 | 0 | 0 | 113.3 | N256 L257 R263 L264 | N256-E260 PolarHBondContact O-N 2.64Å; L257-E260 PolarHBondContact O-N 3.32Å; E260-R263 PolarHBondContact O-N 2.81Å; E260-R263 WeakPolarHBondContact OE1-CD 3.42Å; E260-R263 IonicContact OE1-CZ 3.82Å; E260-R263 IonicContact OE1-NE 3.18Å; E260-R263 IonicContact OE1-NH1 2.8Å; E260-R263 PolarHBondContact OE1-NH1 3.42Å; E260-L264 WeakPolarHBondContact O-CB 3.27Å; E260-L264 PolarHBondContact O-N 3.32Å |
| 261 | E | 83 | Confident | 81.1 | Confident | 101 Ų | 101 | 82.8 Ų | 82.8 | 47% | 0.472 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59 | -47.2 | 168.9 | -75 | -173.9 | 158 | 0 | 0 | 110.9 | L257 R263 L264 Y265 | L257-E261 WeakPolarHBondContact O-CG 3.35Å; L257-E261 PolarHBondContact O-N 3.34Å; E261-R263 PolarHBondContact O-N 2.96Å; E261-L264 PolarHBondContact O-N 2.71Å; E261-Y265 WeakPolarHBondContact O-CD2 3.28Å; E261-Y265 PolarHBondContact O-N 3.46Å; E261-Y265 VanDerWaalsContact O-N 3.09Å |
| 262 | V | 82.4 | Confident | 83.2 | Confident | 65 Ų | 65 | 76.4 Ų | 76.4 | 39% | 0.394 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 177.8 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | Q258 R259 Y265 S266 C303 | Q258-V262 WeakPolarHBondContact O-CB 3.48Å; Q258-V262 VanDerWaalsContact O-CG2 3.28Å; Q258-V262 WeakPolarHBondContact O-CG2 3Å; Q258-V262 PolarHBondContact O-N 2.97Å; R259-V262 PolarHBondContact O-N 2.96Å; V262-Y265 PolarHBondContact O-N 2.63Å; V262-S266 VanDerWaalsContact O-CB 3.27Å; V262-S266 WeakPolarHBondContact O-CB 3.46Å; V262-S266 PolarHBondContact O-N 2.88Å; V262-S266 PolarHBondContact O-OG 3.44Å; V262-C303 WeakPolarHBondContact CG1-SG 3.39Å |
| 263 | R | 78.4 | Confident | 85.1 | Confident | 90 Ų | 90 | 77.7 Ų | 77.7 | 34% | 0.34 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 173.8 | -80.8 | 170.6 | 163.7 | 165.3 | -0.1 | 111.9 | L210 R259 E260 E261 Y265 S266 | L210-R263 PolarHBondContact O-NH2 3.41Å; R259-R263 WeakPolarHBondContact O-CB 3.37Å; R259-R263 WeakPolarHBondContact O-CG 3Å; R259-R263 PolarHBondContact O-N 2.69Å; E260-R263 PolarHBondContact O-N 2.81Å; E260-R263 WeakPolarHBondContact OE1-CD 3.42Å; E260-R263 IonicContact OE1-CZ 3.82Å; E260-R263 IonicContact OE1-NE 3.18Å; E260-R263 IonicContact OE1-NH1 2.8Å; E260-R263 PolarHBondContact OE1-NH1 3.42Å; E261-R263 PolarHBondContact O-N 2.96Å; R263-Y265 VanDerWaalsContact C-N 3.33Å; R263-Y265 PolarHBondContact O-N 3.32Å; R263-S266 PolarHBondContact O-N 3.42Å |
| 264 | L | 78.3 | Confident | 86.6 | Confident | 110 Ų | 110 | 76.3 Ų | 76.3 | 58% | 0.576 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.8 | -41.7 | 179.1 | -178.6 | 63.7 | 0 | 0 | 0 | 112.3 | E260 E261 T268 R270 | E260-L264 WeakPolarHBondContact O-CB 3.27Å; E260-L264 PolarHBondContact O-N 3.32Å; E261-L264 PolarHBondContact O-N 2.71Å; L264-T268 PolarHBondContact O-OG1 3.32Å; L264-R270 PolarHBondContact O-NH2 2.99Å |
| 265 | Y | 80.1 | Confident | 87.4 | Confident | 150 Ų | 150 | 73.6 Ų | 73.6 | 59% | 0.588 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -87.1 | -7.6 | 179.9 | -62.8 | -59.2 | 0 | 0 | 0 | 114.9 | E261 V262 R263 R270 N300 | E261-Y265 WeakPolarHBondContact O-CD2 3.28Å; E261-Y265 PolarHBondContact O-N 3.46Å; E261-Y265 VanDerWaalsContact O-N 3.09Å; V262-Y265 PolarHBondContact O-N 2.63Å; R263-Y265 VanDerWaalsContact C-N 3.33Å; R263-Y265 PolarHBondContact O-N 3.32Å; Y265-R270 PolarHBondContact O-NH2 2.92Å; Y265-N300 PolarHBondContact O-OD1 3.47Å |
| 266 | S | 84.7 | Confident | 88.1 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -77.4 | -171.4 | 168.7 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | V262 R263 T268 R270 N300 | V262-S266 VanDerWaalsContact O-CB 3.27Å; V262-S266 WeakPolarHBondContact O-CB 3.46Å; V262-S266 PolarHBondContact O-N 2.88Å; V262-S266 PolarHBondContact O-OG 3.44Å; R263-S266 PolarHBondContact O-N 3.42Å; S266-T268 PolarHBondContact O-N 3.3Å; S266-T268 PolarHBondContact O-OG1 2.89Å; S266-R270 PolarHBondContact O-NH2 3.44Å; S266-N300 CarbonylContact C-O 3.59Å; S266-N300 WeakPolarHBondContact CA-O 3.09Å |
| 267 | C | 90.6 | Very high | 88.6 | Confident | 18 Ų | 18 | 71.5 Ų | 71.5 | 12% | 0.122 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -56 | 104.4 | -177.9 | -178.1 | 0 | 0 | 0 | 0 | 114.1 | N300 C313 S353 C354 | C267-N300 PolarHBondContact N-O 2.78Å; C267-C313 WeakPolarHBondContact CA-SG 3.34Å; C267-C313 HydrophobicContact CB-CB 3.65Å; C267-C313 WeakPolarHBondContact CB-SG 3.34Å; C267-C313 WeakPolarHBondContact SG-CA 3.28Å; C267-C313 WeakPolarHBondContact SG-CB 3.3Å; C267-C313 CovalentContact SG-SG 2.03Å; C267-C313 PolarHBondContact SG-SG 3.34Å; C267-S353 PolarHBondContact SG-O 3.46Å; C267-S353 VanDerWaalsContact SG-O 3.39Å; C267-C354 WeakPolarHBondContact CB-SG 3.43Å |
| 268 | T | 92.2 | Very high | 89 | Confident | 35 Ų | 35 | 73.3 Ų | 73.3 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 159.3 | -174.3 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | L264 S266 R270 G298 | L264-T268 PolarHBondContact O-OG1 3.32Å; S266-T268 PolarHBondContact O-N 3.3Å; S266-T268 PolarHBondContact O-OG1 2.89Å; T268-R270 PolarHBondContact O-N 2.87Å; T268-R270 VanDerWaalsContact O-N 3.14Å; T268-R270 PolarHBondContact OG1-NE 3.44Å; T268-R270 VanDerWaalsContact OG1-NE 3.08Å; T268-R270 PolarHBondContact OG1-NH2 2.71Å; T268-G298 PolarHBondContact N-O 3.42Å; T268-G298 PolarHBondContact O-N 3.25Å |
| 269 | P | 95 | Very high | 89.6 | Confident | 42 Ų | 42 | 72.6 Ų | 72.6 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 100.4 | 173.3 | -20.7 | 32.8 | 0 | 0 | 0 | 113.5 | K295 E350 | P269-K295 HydrophobicContact CB-CD 4.21Å; P269-K295 PolarHBondContact O-NZ 2.85Å; P269-E350 VanDerWaalsContact CG-O 3.3Å; P269-E350 WeakPolarHBondContact CG-O 3.44Å |
| 270 | R | 93.7 | Very high | 90.1 | Very high | 78 Ų | 78 | 72.3 Ų | 72.3 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 158.2 | -176 | -64.8 | 178.6 | -166.9 | -162.2 | 7.2 | 112.5 | L264 Y265 S266 T268 Y272 K295 R296 G298 G299 | L264-R270 PolarHBondContact O-NH2 2.99Å; Y265-R270 PolarHBondContact O-NH2 2.92Å; S266-R270 PolarHBondContact O-NH2 3.44Å; T268-R270 PolarHBondContact O-N 2.87Å; T268-R270 VanDerWaalsContact O-N 3.14Å; T268-R270 PolarHBondContact OG1-NE 3.44Å; T268-R270 VanDerWaalsContact OG1-NE 3.08Å; T268-R270 PolarHBondContact OG1-NH2 2.71Å; R270-Y272 HydrophobicContact CB-CD2 4.39Å; R270-Y272 HydrophobicContact CB-CE2 4.01Å; R270-K295 WeakPolarHBondContact O-CA 3.43Å; R270-R296 PolarHBondContact N-O 3.2Å; R270-R296 PolarHBondContact O-N 3.2Å; R270-G298 PolarHBondContact NE-O 3.43Å; R270-G298 PolarHBondContact NH2-O 3.4Å; R270-G299 VanDerWaalsContact NH2-CA 3.33Å |
| 271 | N | 94.9 | Very high | 90.8 | Very high | 106 Ų | 106 | 76.4 Ų | 76.4 | 57% | 0.567 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 117.8 | -179 | -60.4 | 0.8 | 0 | 0 | 0 | 109.5 | K295 | N271-K295 WeakPolarHBondContact OD1-CD 3.37Å; N271-K295 VanDerWaalsContact OD1-CE 3.3Å; N271-K295 WeakPolarHBondContact OD1-CE 3.49Å; N271-K295 PolarHBondContact OD1-NZ 3.13Å |
| 272 | Y | 95.4 | Very high | 91.1 | Very high | 111 Ų | 111 | 75.9 Ų | 75.9 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 136.2 | 173.9 | -79.7 | -105.5 | 0 | 0 | 0 | 110.2 | R270 L293 V294 R296 | R270-Y272 HydrophobicContact CB-CD2 4.39Å; R270-Y272 HydrophobicContact CB-CE2 4.01Å; Y272-L293 WeakPolarHBondContact O-CA 3.39Å; Y272-V294 PolarHBondContact N-O 2.82Å; Y272-V294 PolarHBondContact O-N 2.73Å; Y272-R296 HydrophobicContact CD2-CB 3.63Å; Y272-R296 HydrophobicContact CD2-CG 4.18Å; Y272-R296 HydrophobicContact CE2-CB 4.03Å; Y272-R296 HydrophobicContact CG-CB 4.12Å; Y272-R296 HydrophobicContact CG-CG 4.19Å |
| 273 | S | 96.8 | Very high | 91.4 | Very high | 96 Ų | 96 | 77.9 Ų | 77.9 | 67% | 0.671 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 117.3 | 167.9 | 54.6 | 0 | 0 | 0 | 0 | 109.8 | L292 | S273-L292 WeakPolarHBondContact CA-O 3.44Å |
| 274 | V | 96.6 | Very high | 92 | Very high | 17 Ų | 17 | 77.3 Ų | 77.3 | 10% | 0.103 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 142.8 | -178.9 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | E279 C291 L292 V294 L346 | V274-E279 HydrophobicContact CB-CG 3.83Å; V274-E279 WeakPolarHBondContact CB-OE1 3.23Å; V274-E279 VanDerWaalsContact CG1-OE1 3.3Å; V274-E279 WeakPolarHBondContact CG1-OE1 3.29Å; V274-E279 HydrophobicContact CG2-CG 3.88Å; V274-C291 CarbonylContact O-C 3.49Å; V274-C291 WeakPolarHBondContact O-CA 3.45Å; V274-C291 VanDerWaalsContact O-CB 3.32Å; V274-C291 WeakPolarHBondContact O-CB 3.23Å; V274-L292 PolarHBondContact N-O 3.4Å; V274-L292 PolarHBondContact O-N 3.47Å; V274-V294 HydrophobicContact CB-CG2 4.24Å; V274-V294 HydrophobicContact CG1-CG2 3.56Å; V274-V294 HydrophobicContact CG2-CB 4.3Å; V274-V294 HydrophobicContact CG2-CG1 3.65Å; V274-V294 HydrophobicContact CG2-CG2 3.62Å; V274-L346 HydrophobicContact CG2-CD1 4.41Å |
| 275 | S | 96.8 | Very high | 92.6 | Very high | 24 Ų | 24 | 72.2 Ų | 72.2 | 17% | 0.168 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 119.9 | -179.9 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | R277 E278 E279 | S275-R277 PolarHBondContact O-N 3.46Å; S275-E278 WeakPolarHBondContact CB-OE1 3.35Å; S275-E278 WeakPolarHBondContact CB-OE2 3.44Å; S275-E278 PolarHBondContact O-N 3.2Å; S275-E278 VanDerWaalsContact O-N 3.07Å; S275-E278 VanDerWaalsContact OG-CD 3.24Å; S275-E278 PolarHBondContact OG-OE1 3.04Å; S275-E279 WeakPolarHBondContact O-CG 3.47Å; S275-E279 PolarHBondContact O-N 3.24Å |
| 276 | L | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.8 | -26.1 | -179.9 | -69.1 | 178.2 | 0 | 0 | 0 | 112.7 | L280 F287 P289 S290 L292 V325 V344 L346 | L276-L280 HydrophobicContact CB-CD1 4.41Å; L276-L280 HydrophobicContact CD2-CD1 4.42Å; L276-L280 VanDerWaalsContact O-CB 3.25Å; L276-L280 WeakPolarHBondContact O-CB 3.29Å; L276-L280 WeakPolarHBondContact O-CG 3.03Å; L276-L280 PolarHBondContact O-N 3.09Å; L276-F287 HydrophobicContact CB-CB 4.13Å; L276-F287 HydrophobicContact CB-CD2 3.73Å; L276-F287 HydrophobicContact CB-CE2 4.29Å; L276-F287 HydrophobicContact CB-CG 3.95Å; L276-F287 HydrophobicContact CD1-CB 3.63Å; L276-F287 HydrophobicContact CD1-CD1 4.32Å; L276-F287 HydrophobicContact CD1-CG 3.97Å; L276-P289 WeakPolarHBondContact CD1-O 3.16Å; L276-S290 PolarHBondContact N-O 2.84Å; L276-L292 HydrophobicContact CD1-CD1 4.3Å; L276-L292 HydrophobicContact CD1-CG 4.24Å; L276-L292 HydrophobicContact CD2-CD1 4.05Å; L276-L292 HydrophobicContact CD2-CG 4.3Å; L276-L292 HydrophobicContact CG-CG 4.45Å; L276-V325 HydrophobicContact CD1-CG1 3.95Å; L276-V344 HydrophobicContact CD2-CG2 3.95Å; L276-L346 HydrophobicContact CD2-CD1 3.83Å; L276-L346 HydrophobicContact CD2-CD2 4.06Å; L276-L346 HydrophobicContact CD2-CG 4.37Å |
| 277 | R | 94.6 | Very high | 93.8 | Very high | 103 Ų | 103 | 69.4 Ų | 69.4 | 39% | 0.389 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 175 | 169.4 | 164.6 | -72.9 | -114.1 | -12.2 | 112.1 | S275 K281 R282 T283 V285 | S275-R277 PolarHBondContact O-N 3.46Å; R277-K281 CarbonylContact O-C 3.6Å; R277-K281 VanDerWaalsContact O-CA 3.31Å; R277-K281 WeakPolarHBondContact O-CA 3.44Å; R277-K281 PolarHBondContact O-N 3.41Å; R277-R282 PolarHBondContact O-N 3.49Å; R277-R282 VanDerWaalsContact O-N 3.11Å; R277-T283 PolarHBondContact NH1-O 2.03Å; R277-T283 PolarHBondContact NH2-O 3.36Å; R277-V285 PolarHBondContact NH2-O 3.47Å |
| 278 | E | 94 | Very high | 94.1 | Very high | 135 Ų | 135 | 77.2 Ų | 77.2 | 63% | 0.631 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -81.7 | -50.5 | -179.1 | -73.9 | 135.3 | -115.6 | 0 | 0 | 111.7 | S275 L280 K281 | S275-E278 WeakPolarHBondContact CB-OE1 3.35Å; S275-E278 WeakPolarHBondContact CB-OE2 3.44Å; S275-E278 PolarHBondContact O-N 3.2Å; S275-E278 VanDerWaalsContact O-N 3.07Å; S275-E278 VanDerWaalsContact OG-CD 3.24Å; S275-E278 PolarHBondContact OG-OE1 3.04Å; E278-L280 PolarHBondContact O-N 3.39Å; E278-K281 VanDerWaalsContact O-CG 3.28Å; E278-K281 WeakPolarHBondContact O-CG 3.47Å; E278-K281 PolarHBondContact O-N 3.31Å; E278-K281 VanDerWaalsContact O-N 3.14Å |
| 279 | E | 94.5 | Very high | 94.3 | Very high | 69 Ų | 69 | 78.1 Ų | 78.1 | 32% | 0.322 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -55.9 | -48.5 | 179.1 | -69.6 | -75.1 | 177.2 | 0 | 0 | 111.6 | V274 S275 R296 L346 | V274-E279 HydrophobicContact CB-CG 3.83Å; V274-E279 WeakPolarHBondContact CB-OE1 3.23Å; V274-E279 VanDerWaalsContact CG1-OE1 3.3Å; V274-E279 WeakPolarHBondContact CG1-OE1 3.29Å; V274-E279 HydrophobicContact CG2-CG 3.88Å; S275-E279 WeakPolarHBondContact O-CG 3.47Å; S275-E279 PolarHBondContact O-N 3.24Å; E279-R296 IonicContact OE1-CZ 3.79Å; E279-R296 IonicContact OE1-NH2 3.8Å; E279-R296 PolarHBondContact OE1-NH2 3.16Å; E279-R296 IonicContact OE2-NH2 3.65Å; E279-R296 PolarHBondContact OE2-NH2 3.28Å; E279-L346 HydrophobicContact CB-CD2 3.98Å; E279-L346 HydrophobicContact CG-CD2 4.34Å |
| 280 | L | 93.9 | Very high | 94.3 | Very high | 55 Ų | 55 | 79.5 Ų | 79.5 | 29% | 0.288 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -9.2 | -179 | -53.6 | 172 | 0 | 0 | 0 | 112.9 | L276 E278 R282 F287 V344 L346 | L276-L280 HydrophobicContact CB-CD1 4.41Å; L276-L280 HydrophobicContact CD2-CD1 4.42Å; L276-L280 VanDerWaalsContact O-CB 3.25Å; L276-L280 WeakPolarHBondContact O-CB 3.29Å; L276-L280 WeakPolarHBondContact O-CG 3.03Å; L276-L280 PolarHBondContact O-N 3.09Å; E278-L280 PolarHBondContact O-N 3.39Å; L280-R282 VanDerWaalsContact C-N 3.34Å; L280-R282 HydrophobicContact CB-CG 4.14Å; L280-R282 WeakPolarHBondContact O-CG 3.26Å; L280-R282 PolarHBondContact O-N 3.15Å; L280-F287 HydrophobicContact CD1-CE1 3.89Å; L280-F287 HydrophobicContact CD1-CE2 3.99Å; L280-F287 HydrophobicContact CD1-CZ 3.48Å; L280-F287 VanDerWaalsContact CD1-CZ 3.48Å; L280-V344 HydrophobicContact CD1-CB 3.95Å; L280-V344 HydrophobicContact CD1-CG1 3.58Å; L280-L346 HydrophobicContact CD2-CD2 4.38Å |
| 281 | K | 94.8 | Very high | 94.5 | Very high | 182 Ų | 182 | 78.6 Ų | 78.6 | 79% | 0.791 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 39.5 | -178.2 | -55.2 | 174.6 | -175.1 | 173.6 | 0 | 113.5 | R277 E278 | R277-K281 CarbonylContact O-C 3.6Å; R277-K281 VanDerWaalsContact O-CA 3.31Å; R277-K281 WeakPolarHBondContact O-CA 3.44Å; R277-K281 PolarHBondContact O-N 3.41Å; E278-K281 VanDerWaalsContact O-CG 3.28Å; E278-K281 WeakPolarHBondContact O-CG 3.47Å; E278-K281 PolarHBondContact O-N 3.31Å; E278-K281 VanDerWaalsContact O-N 3.14Å |
| 282 | R | 90.4 | Very high | 94.6 | Very high | 90 Ų | 90 | 74.9 Ų | 74.9 | 34% | 0.34 | 37% | 0.374 | S | S | . | . | trans | -117.5 | 114.6 | -172.6 | -68 | -80.9 | -70.8 | 139.2 | 20.8 | 111.8 | R277 L280 D284 V285 F287 | R277-R282 PolarHBondContact O-N 3.49Å; R277-R282 VanDerWaalsContact O-N 3.11Å; L280-R282 VanDerWaalsContact C-N 3.34Å; L280-R282 HydrophobicContact CB-CG 4.14Å; L280-R282 WeakPolarHBondContact O-CG 3.26Å; L280-R282 PolarHBondContact O-N 3.15Å; R282-D284 IonicContact CZ-OD1 2.92Å; R282-D284 IonicContact CZ-OD2 3.26Å; R282-D284 VanDerWaalsContact CZ-OD2 3.26Å; R282-D284 IonicContact NE-OD1 3.64Å; R282-D284 VanDerWaalsContact NH1-CG 3.29Å; R282-D284 IonicContact NH1-OD1 2.89Å; R282-D284 PolarHBondContact NH1-OD1 3.14Å; R282-D284 IonicContact NH1-OD2 3.03Å; R282-D284 PolarHBondContact NH1-OD2 3.14Å; R282-D284 IonicContact NH2-OD1 2.92Å; R282-D284 PolarHBondContact NH2-OD1 3.06Å; R282-D284 IonicContact NH2-OD2 2.72Å; R282-D284 PolarHBondContact NH2-OD2 3.36Å; R282-V285 HydrophobicContact CB-CG2 3.86Å; R282-F287 HydrophobicContact CB-CE2 4.32Å | ||
| 283 | T | 88.3 | Confident | 94.7 | Very high | 106 Ų | 106 | 75 Ų | 75 | 65% | 0.65 | 38% | 0.382 | S | S | * | . | trans | -105.7 | -19 | -173.1 | 52.1 | 0 | 0 | 0 | 0 | 114.8 | R277 V285 | R277-T283 PolarHBondContact NH1-O 2.03Å; R277-T283 PolarHBondContact NH2-O 3.36Å; T283-V285 VanDerWaalsContact C-N 3.34Å | ||
| 284 | D | 89.6 | Confident | 94.7 | Very high | 79 Ų | 79 | 70.6 Ų | 70.6 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -84.9 | -2.1 | -178 | 66 | -46.2 | 0 | 0 | 0 | 114.4 | R282 | R282-D284 IonicContact CZ-OD1 2.92Å; R282-D284 IonicContact CZ-OD2 3.26Å; R282-D284 VanDerWaalsContact CZ-OD2 3.26Å; R282-D284 IonicContact NE-OD1 3.64Å; R282-D284 VanDerWaalsContact NH1-CG 3.29Å; R282-D284 IonicContact NH1-OD1 2.89Å; R282-D284 PolarHBondContact NH1-OD1 3.14Å; R282-D284 IonicContact NH1-OD2 3.03Å; R282-D284 PolarHBondContact NH1-OD2 3.14Å; R282-D284 IonicContact NH2-OD1 2.92Å; R282-D284 PolarHBondContact NH2-OD1 3.06Å; R282-D284 IonicContact NH2-OD2 2.72Å; R282-D284 PolarHBondContact NH2-OD2 3.36Å |
| 285 | V | 91.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 156.6 | -178.5 | -70.4 | 0 | 0 | 0 | 0 | 111.3 | R277 R282 T283 F287 L327 R329 | R277-V285 PolarHBondContact NH2-O 3.47Å; R282-V285 HydrophobicContact CB-CG2 3.86Å; T283-V285 VanDerWaalsContact C-N 3.34Å; V285-F287 HydrophobicContact CG2-CE2 3.83Å; V285-F287 HydrophobicContact CG2-CZ 3.9Å; V285-L327 HydrophobicContact CB-CD1 3.73Å; V285-L327 HydrophobicContact CG1-CD1 4.01Å; V285-L327 HydrophobicContact CG1-CG 4.41Å; V285-L327 HydrophobicContact CG2-CD1 3.95Å; V285-R329 HydrophobicContact CG1-CB 4.13Å; V285-R329 HydrophobicContact CG1-CG 4.22Å |
| 286 | I | 94.1 | Very high | 94.7 | Very high | 94 Ų | 94 | 74 Ų | 74 | 48% | 0.482 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132.2 | 172.5 | -58.7 | 166.4 | 0 | 0 | 0 | 106.8 | L328 | I286-L328 HydrophobicContact CB-CB 4.23Å; I286-L328 HydrophobicContact CG2-CD1 4.5Å; I286-L328 PolarHBondContact N-O 2.9Å; I286-L328 PolarHBondContact O-N 3.21Å |
| 287 | F | 96.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 74.9 Ų | 74.9 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 143.6 | 172.6 | -60.2 | -85.9 | 0 | 0 | 0 | 109.5 | L276 L280 R282 V285 P289 S290 V325 L326 L327 V344 | L276-F287 HydrophobicContact CB-CB 4.13Å; L276-F287 HydrophobicContact CB-CD2 3.73Å; L276-F287 HydrophobicContact CB-CE2 4.29Å; L276-F287 HydrophobicContact CB-CG 3.95Å; L276-F287 HydrophobicContact CD1-CB 3.63Å; L276-F287 HydrophobicContact CD1-CD1 4.32Å; L276-F287 HydrophobicContact CD1-CG 3.97Å; L280-F287 HydrophobicContact CD1-CE1 3.89Å; L280-F287 HydrophobicContact CD1-CE2 3.99Å; L280-F287 HydrophobicContact CD1-CZ 3.48Å; L280-F287 VanDerWaalsContact CD1-CZ 3.48Å; R282-F287 HydrophobicContact CB-CE2 4.32Å; V285-F287 HydrophobicContact CG2-CE2 3.83Å; V285-F287 HydrophobicContact CG2-CZ 3.9Å; F287-P289 CarbonylContact C-O 3.57Å; F287-P289 CarbonylContact O-C 3.41Å; F287-S290 WeakPolarHBondContact O-CA 3.23Å; F287-S290 PolarHBondContact O-N 2.76Å; F287-V325 HydrophobicContact CD1-CG2 3.83Å; F287-V325 HydrophobicContact CE1-CG2 4.46Å; F287-L326 CarbonylContact C-O 3.58Å; F287-L327 HydrophobicContact CD1-CD1 3.76Å; F287-L327 HydrophobicContact CE1-CD1 3.44Å; F287-L327 VanDerWaalsContact CE1-CD1 3.44Å; F287-L327 HydrophobicContact CZ-CD1 3.99Å; F287-V344 HydrophobicContact CD1-CG1 4.38Å; F287-V344 HydrophobicContact CE1-CG1 3.88Å |
| 288 | W | 95.8 | Very high | 94.6 | Very high | 181 Ų | 181 | 70.3 Ų | 70.3 | 69% | 0.686 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 122 | 169.4 | -179.8 | -92.1 | 0 | 0 | 0 | 110.3 | L326 | W288-L326 HydrophobicContact CB-CB 4.21Å; W288-L326 HydrophobicContact CB-CD2 4.45Å; W288-L326 PolarHBondContact N-O 3.14Å; W288-L326 PolarHBondContact O-N 2.87Å |
| 289 | P | 97.3 | Very high | 94.3 | Very high | 55 Ų | 55 | 65.7 Ų | 65.7 | 36% | 0.357 | 34% | 0.339 | S | S | . | . | S | Bend | cis | -61.2 | 157.3 | -7.1 | 30.5 | -37.7 | 0 | 0 | 0 | 111.9 | L276 F287 C291 L292 | L276-P289 WeakPolarHBondContact CD1-O 3.16Å; F287-P289 CarbonylContact C-O 3.57Å; F287-P289 CarbonylContact O-C 3.41Å; P289-C291 VanDerWaalsContact C-N 3.33Å; P289-L292 HydrophobicContact CG-CD2 3.58Å |
| 290 | S | 95.9 | Very high | 93.9 | Very high | 70 Ų | 70 | 66.7 Ų | 66.7 | 49% | 0.49 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -76.1 | -23.6 | -179 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | L276 F287 | L276-S290 PolarHBondContact N-O 2.84Å; F287-S290 WeakPolarHBondContact O-CA 3.23Å; F287-S290 PolarHBondContact O-N 2.76Å |
| 291 | C | 97 | Very high | 93.3 | Very high | 59 Ų | 59 | 64.5 Ų | 64.5 | 40% | 0.399 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 148.9 | -177.8 | -52.2 | 0 | 0 | 0 | 0 | 109.9 | V274 P289 | V274-C291 CarbonylContact O-C 3.49Å; V274-C291 WeakPolarHBondContact O-CA 3.45Å; V274-C291 VanDerWaalsContact O-CB 3.32Å; V274-C291 WeakPolarHBondContact O-CB 3.23Å; P289-C291 VanDerWaalsContact C-N 3.33Å |
| 292 | L | 97.3 | Very high | 92.1 | Very high | 29 Ų | 29 | 58.6 Ų | 58.6 | 15% | 0.152 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 160.4 | 175.7 | -69.5 | -178.4 | 0 | 0 | 0 | 111.2 | S273 V274 L276 P289 H323 V325 V344 L346 | S273-L292 WeakPolarHBondContact CA-O 3.44Å; V274-L292 PolarHBondContact N-O 3.4Å; V274-L292 PolarHBondContact O-N 3.47Å; L276-L292 HydrophobicContact CD1-CD1 4.3Å; L276-L292 HydrophobicContact CD1-CG 4.24Å; L276-L292 HydrophobicContact CD2-CD1 4.05Å; L276-L292 HydrophobicContact CD2-CG 4.3Å; L276-L292 HydrophobicContact CG-CG 4.45Å; P289-L292 HydrophobicContact CG-CD2 3.58Å; L292-H323 HydrophobicContact CD1-CB 3.4Å; L292-H323 VanDerWaalsContact CD1-CB 3.4Å; L292-V325 HydrophobicContact CD1-CG1 4.01Å; L292-V344 HydrophobicContact CD1-CG2 4.33Å; L292-L346 HydrophobicContact CB-CD1 4.11Å; L292-L346 HydrophobicContact CD1-CD1 3.92Å |
| 293 | L | 97.1 | Very high | 91 | Very high | 113 Ų | 113 | 59.1 Ų | 59.1 | 59% | 0.592 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 125.3 | 170.8 | -69 | 175.9 | 0 | 0 | 0 | 110 | Y272 | Y272-L293 WeakPolarHBondContact O-CA 3.39Å |
| 294 | V | 97.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 154.3 | 174 | -56.2 | 0 | 0 | 0 | 0 | 111 | Y272 V274 R296 L346 H348 | Y272-V294 PolarHBondContact N-O 2.82Å; Y272-V294 PolarHBondContact O-N 2.73Å; V274-V294 HydrophobicContact CB-CG2 4.24Å; V274-V294 HydrophobicContact CG1-CG2 3.56Å; V274-V294 HydrophobicContact CG2-CB 4.3Å; V274-V294 HydrophobicContact CG2-CG1 3.65Å; V274-V294 HydrophobicContact CG2-CG2 3.62Å; V294-R296 HydrophobicContact CG2-CG 4.05Å; V294-L346 HydrophobicContact CG1-CB 4Å; V294-L346 HydrophobicContact CG1-CD1 3.6Å; V294-L346 HydrophobicContact CG1-CG 4.43Å; V294-H348 VanDerWaalsContact CA-CE1 3.49Å; V294-H348 WeakPolarHBondContact CA-CE1 3.32Å; V294-H348 WeakPolarHBondContact CG1-NE2 3.1Å |
| 295 | K | 96.9 | Very high | 88.5 | Confident | 68 Ų | 68 | 55.2 Ų | 55.2 | 30% | 0.296 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 124.3 | 168.7 | -72.3 | -62.9 | -160.3 | 177.6 | 0 | 110.4 | P269 R270 N271 H348 H349 | P269-K295 HydrophobicContact CB-CD 4.21Å; P269-K295 PolarHBondContact O-NZ 2.85Å; R270-K295 WeakPolarHBondContact O-CA 3.43Å; N271-K295 WeakPolarHBondContact OD1-CD 3.37Å; N271-K295 VanDerWaalsContact OD1-CE 3.3Å; N271-K295 WeakPolarHBondContact OD1-CE 3.49Å; N271-K295 PolarHBondContact OD1-NZ 3.13Å; K295-H348 HydrophobicContact CB-CB 4.19Å; K295-H348 PolarHBondContact N-ND1 2.88Å; K295-H348 WeakPolarHBondContact O-CA 3.49Å; K295-H349 VanDerWaalsContact CB-O 3.23Å; K295-H349 WeakPolarHBondContact CB-O 3.43Å; K295-H349 PolarHBondContact O-N 2.81Å |
| 296 | R | 96.4 | Very high | 86.9 | Confident | 44 Ų | 44 | 60.8 Ų | 60.8 | 17% | 0.166 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 154.4 | 165.8 | -56.5 | -65 | -166.5 | 176.6 | 2 | 109.1 | R270 Y272 E279 V294 E347 H349 | R270-R296 PolarHBondContact N-O 3.2Å; R270-R296 PolarHBondContact O-N 3.2Å; Y272-R296 HydrophobicContact CD2-CB 3.63Å; Y272-R296 HydrophobicContact CD2-CG 4.18Å; Y272-R296 HydrophobicContact CE2-CB 4.03Å; Y272-R296 HydrophobicContact CG-CB 4.12Å; Y272-R296 HydrophobicContact CG-CG 4.19Å; E279-R296 IonicContact OE1-CZ 3.79Å; E279-R296 IonicContact OE1-NH2 3.8Å; E279-R296 PolarHBondContact OE1-NH2 3.16Å; E279-R296 IonicContact OE2-NH2 3.65Å; E279-R296 PolarHBondContact OE2-NH2 3.28Å; V294-R296 HydrophobicContact CG2-CG 4.05Å; R296-E347 PolarHBondContact NH1-O 3.26Å; R296-H349 WeakPolarHBondContact CD-NE2 3.38Å; R296-H349 PolarHBondContact NH1-NE2 2.97Å; R296-H349 VanDerWaalsContact NH1-NE2 3.15Å |
| 297 | C | 95.4 | Very high | 85.3 | Confident | 19 Ų | 19 | 64.1 Ų | 64.1 | 13% | 0.128 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 136.6 | 173.9 | -62.3 | 0 | 0 | 0 | 0 | 110.4 | P315 H349 C352 | C297-P315 WeakPolarHBondContact SG-CA 3.45Å; C297-H349 PolarHBondContact N-ND1 2.93Å; C297-H349 VanDerWaalsContact N-ND1 3.14Å; C297-H349 PolarHBondContact SG-ND1 3.45Å; C297-H349 VanDerWaalsContact SG-ND1 3.36Å; C297-C352 WeakPolarHBondContact CA-SG 3.48Å; C297-C352 HydrophobicContact CB-CB 3.77Å; C297-C352 WeakPolarHBondContact CB-SG 3.37Å; C297-C352 WeakPolarHBondContact SG-CB 3.42Å; C297-C352 CovalentContact SG-SG 2.03Å; C297-C352 PolarHBondContact SG-SG 2.81Å |
| 298 | G | 91.9 | Very high | 83.9 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 7% | 0.072 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 162.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | T268 R270 | T268-G298 PolarHBondContact N-O 3.42Å; T268-G298 PolarHBondContact O-N 3.25Å; R270-G298 PolarHBondContact NE-O 3.43Å; R270-G298 PolarHBondContact NH2-O 3.4Å |
| 299 | G | 88.5 | Confident | 82.6 | Confident | 38 Ų | 38 | 61.7 Ų | 61.7 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 120.9 | -176.3 | -165.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R270 | R270-G299 VanDerWaalsContact NH2-CA 3.33Š|
| 300 | N | 85.8 | Confident | 81.8 | Confident | 91 Ų | 91 | 63.2 Ų | 63.2 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -106.2 | 171.8 | 173 | 60.8 | -6.2 | 0 | 0 | 0 | 111.1 | Y265 S266 C267 | Y265-N300 PolarHBondContact O-OD1 3.47Å; S266-N300 CarbonylContact C-O 3.59Å; S266-N300 WeakPolarHBondContact CA-O 3.09Å; C267-N300 PolarHBondContact N-O 2.78Å |
| 301 | C | 82.7 | Confident | 81.3 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | trans | -111.4 | 46.4 | 178.9 | -70.9 | 0 | 0 | 0 | 0 | 111.3 | C303 C308 C311 C354 | C301-C303 VanDerWaalsContact C-N 3.25Å; C301-C303 PolarHBondContact O-N 3.24Å; C301-C308 WeakPolarHBondContact O-CB 2.8Å; C301-C311 HydrophobicContact CB-CB 3.64Å; C301-C354 WeakPolarHBondContact CA-SG 3.37Å; C301-C354 HydrophobicContact CB-CB 3.69Å; C301-C354 WeakPolarHBondContact CB-SG 3.47Å; C301-C354 WeakPolarHBondContact SG-CB 3.42Å; C301-C354 CovalentContact SG-SG 2.03Å; C301-C354 PolarHBondContact SG-SG 3.01Å | ||
| 302 | A | 68.5 | Low | 80.9 | Confident | 58 Ų | 58 | 64.6 Ų | 64.6 | 48% | 0.479 | 37% | 0.37 | S | S | . | . | trans | -72.9 | -9.5 | -168 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 303 | C | 66.8 | Low | 80.6 | Confident | 101 Ų | 101 | 64.3 Ų | 64.3 | 68% | 0.682 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -119.1 | 65.1 | -178.9 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | V262 C301 | V262-C303 WeakPolarHBondContact CG1-SG 3.39Å; C301-C303 VanDerWaalsContact C-N 3.25Å; C301-C303 PolarHBondContact O-N 3.24Å |
| 304 | C | 65.9 | Low | 80.5 | Confident | 35 Ų | 35 | 60.7 Ų | 60.7 | 24% | 0.236 | 35% | 0.353 | C | S | . | . | trans | -116.9 | 156.7 | 172.7 | 87.2 | 0 | 0 | 0 | 0 | 109.2 | H306 C308 | C304-H306 VanDerWaalsContact SG-C 3.59Å; C304-H306 PolarHBondContact SG-O 2.72Å; C304-C308 VanDerWaalsContact CA-SG 3.58Å; C304-C308 HydrophobicContact CB-CB 4.27Å; C304-C308 WeakPolarHBondContact CB-SG 3.37Å; C304-C308 PolarHBondContact N-SG 2.93Å; C304-C308 VanDerWaalsContact N-SG 3.4Å; C304-C308 PolarHBondContact O-SG 3.08Å; C304-C308 WeakPolarHBondContact SG-CA 3.39Å; C304-C308 WeakPolarHBondContact SG-CB 3Å; C304-C308 PolarHBondContact SG-N 2.83Å; C304-C308 CovalentContact SG-SG 2.04Å; C304-C308 PolarHBondContact SG-SG 2.88Å | ||
| 305 | S | 59.8 | Low | 80.4 | Confident | 68 Ų | 68 | 63.1 Ų | 63.1 | 48% | 0.476 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -66.9 | -45 | -178.9 | -31.7 | 0 | 0 | 0 | 0 | 111.8 | E201 | E201-S305 WeakPolarHBondContact OE1-CB 3.37Š|
| 306 | H | 57.5 | Low | 80.3 | Confident | 118 Ų | 118 | 64.2 Ų | 64.2 | 55% | 0.546 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -137 | 140.8 | -174.6 | -80.5 | 5.8 | 0 | 0 | 0 | 113.2 | E201 C304 C308 | E201-H306 IonicContact OE1-CE1 3.34Å; E201-H306 PolarHBondContact OE1-CE1 2.82Å; E201-H306 IonicContact OE1-ND1 3.91Å; E201-H306 PolarHBondContact OE1-ND1 3.45Å; E201-H306 IonicContact OE1-NE2 2.63Å; E201-H306 IonicContact OE2-CE1 3.57Å; E201-H306 PolarHBondContact OE2-CE1 2.96Å; C304-H306 VanDerWaalsContact SG-C 3.59Å; C304-H306 PolarHBondContact SG-O 2.72Å; H306-C308 PolarHBondContact O-N 2.94Å |
| 307 | R | 61.7 | Low | 80.3 | Confident | 165 Ų | 165 | 67.7 Ų | 67.7 | 62% | 0.623 | 40% | 0.395 | S | S | * | . | trans | 51.3 | 49.5 | 170.7 | -63.9 | -175.5 | -179.1 | 167.4 | -2.3 | 116.4 | A309 D310 D358 | R307-A309 PolarHBondContact O-N 2.8Å; R307-D310 PolarHBondContact O-N 2.84Å; R307-D358 VanDerWaalsContact CD-OD2 3.25Å; R307-D358 WeakPolarHBondContact CD-OD2 3.36Å; R307-D358 IonicContact CZ-OD2 2.59Å; R307-D358 IonicContact NE-OD2 3.48Å; R307-D358 IonicContact NH1-OD1 3.26Å; R307-D358 PolarHBondContact NH1-OD1 3.28Å; R307-D358 IonicContact NH1-OD2 2.87Å; R307-D358 PolarHBondContact NH1-OD2 2.81Å | ||
| 308 | C | 66.5 | Low | 80.4 | Confident | 46 Ų | 46 | 70 Ų | 70 | 31% | 0.311 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -6 | -178.2 | -50.7 | 0 | 0 | 0 | 0 | 117 | C301 C304 H306 | C301-C308 WeakPolarHBondContact O-CB 2.8Å; C304-C308 VanDerWaalsContact CA-SG 3.58Å; C304-C308 HydrophobicContact CB-CB 4.27Å; C304-C308 WeakPolarHBondContact CB-SG 3.37Å; C304-C308 PolarHBondContact N-SG 2.93Å; C304-C308 VanDerWaalsContact N-SG 3.4Å; C304-C308 PolarHBondContact O-SG 3.08Å; C304-C308 WeakPolarHBondContact SG-CA 3.39Å; C304-C308 WeakPolarHBondContact SG-CB 3Å; C304-C308 PolarHBondContact SG-N 2.83Å; C304-C308 CovalentContact SG-SG 2.04Å; C304-C308 PolarHBondContact SG-SG 2.88Å; H306-C308 PolarHBondContact O-N 2.94Å |
| 309 | A | 69.1 | Low | 80.6 | Confident | 99 Ų | 99 | 71.9 Ų | 71.9 | 82% | 0.818 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -27.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R307 | R307-A309 PolarHBondContact O-N 2.8Š|
| 310 | D | 80 | Confident | 81.1 | Confident | 88 Ų | 88 | 76.4 Ų | 76.4 | 47% | 0.471 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -97.1 | 4 | -177.4 | -69.2 | -74.2 | 0 | 0 | 0 | 113.1 | R307 | R307-D310 PolarHBondContact O-N 2.84Š|
| 311 | C | 84.6 | Confident | 81.6 | Confident | 18 Ų | 18 | 75.6 Ų | 75.6 | 12% | 0.122 | 42% | 0.419 | C | S | . | . | trans | -92.3 | 130.5 | -178.9 | -52.7 | 0 | 0 | 0 | 0 | 112.6 | C301 V355 C356 | C301-C311 HydrophobicContact CB-CB 3.64Å; C311-V355 CarbonylContact C-O 3.58Å; C311-V355 WeakPolarHBondContact CA-O 3.23Å; C311-C356 HydrophobicContact CB-CB 4.06Å; C311-C356 WeakPolarHBondContact CB-SG 3.3Å; C311-C356 WeakPolarHBondContact SG-CB 3.42Å; C311-C356 CovalentContact SG-SG 2.03Å; C311-C356 PolarHBondContact SG-SG 2.63Å | ||
| 312 | Q | 89.5 | Confident | 82.2 | Confident | 139 Ų | 139 | 83.1 Ų | 83.1 | 65% | 0.65 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.1 | 178.2 | -171.5 | 173.9 | -9.8 | 0 | 0 | 111.7 | V314 V355 | Q312-V314 HydrophobicContact CB-CG1 4.24Å; Q312-V314 HydrophobicContact CG-CG1 3.92Å; Q312-V314 PolarHBondContact O-N 3.24Å; Q312-V355 PolarHBondContact N-O 3.38Å; Q312-V355 PolarHBondContact O-N 3.44Å |
| 313 | C | 91.6 | Very high | 83.6 | Confident | 23 Ų | 23 | 82.5 Ų | 82.5 | 16% | 0.155 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 114.3 | 169.7 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | C267 | C267-C313 WeakPolarHBondContact CA-SG 3.34Å; C267-C313 HydrophobicContact CB-CB 3.65Å; C267-C313 WeakPolarHBondContact CB-SG 3.34Å; C267-C313 WeakPolarHBondContact SG-CA 3.28Å; C267-C313 WeakPolarHBondContact SG-CB 3.3Å; C267-C313 CovalentContact SG-SG 2.03Å; C267-C313 PolarHBondContact SG-SG 3.34Å |
| 314 | V | 93.6 | Very high | 85.1 | Confident | 38 Ų | 38 | 84 Ų | 84 | 23% | 0.23 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 153.4 | -173.2 | -64.6 | 0 | 0 | 0 | 0 | 111.8 | Q312 C352 S353 V355 | Q312-V314 HydrophobicContact CB-CG1 4.24Å; Q312-V314 HydrophobicContact CG-CG1 3.92Å; Q312-V314 PolarHBondContact O-N 3.24Å; V314-C352 CarbonylContact O-C 3.54Å; V314-C352 VanDerWaalsContact O-CA 3.29Å; V314-C352 WeakPolarHBondContact O-CA 3.32Å; V314-S353 PolarHBondContact N-O 3.38Å; V314-S353 PolarHBondContact O-N 3.41Å; V314-V355 HydrophobicContact CG2-CB 3.94Å; V314-V355 HydrophobicContact CG2-CG2 3.47Å; V314-V355 VanDerWaalsContact CG2-CG2 3.47Å |
| 315 | P | 96.1 | Very high | 86.5 | Confident | 54 Ų | 54 | 82.4 Ų | 82.4 | 35% | 0.351 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 131.8 | 175.4 | 28.1 | -32.9 | 0 | 0 | 0 | 112.5 | C297 V318 H349 E351 | C297-P315 WeakPolarHBondContact SG-CA 3.45Å; P315-V318 HydrophobicContact CB-CG2 3.62Å; P315-V318 HydrophobicContact CG-CG2 3.94Å; P315-H349 HydrophobicContact CB-CB 4.06Å; P315-E351 WeakPolarHBondContact CA-O 3.43Å |
| 316 | T | 94.6 | Very high | 88.3 | Confident | 91 Ų | 91 | 81.5 Ų | 81.5 | 56% | 0.558 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -31.9 | 167 | 49.7 | 0 | 0 | 0 | 0 | 111.5 | E351 | T316-E351 PolarHBondContact N-O 2.94Å; T316-E351 VanDerWaalsContact OG1-C 3.27Å; T316-E351 VanDerWaalsContact OG1-CB 3.23Å; T316-E351 WeakPolarHBondContact OG1-CB 3.3Å; T316-E351 PolarHBondContact OG1-O 2.81Å |
| 317 | R | 96.5 | Very high | 90.1 | Very high | 117 Ų | 117 | 77 Ų | 77 | 44% | 0.442 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 127.3 | 172.8 | -169 | 170.3 | 70.3 | -138 | -7.6 | 111.8 | H349 E350 E351 | R317-H349 CarbonylContact O-C 3.55Å; R317-E350 HydrophobicContact CB-CB 4.49Å; R317-E350 HydrophobicContact CG-CB 4.47Å; R317-E350 PolarHBondContact O-N 2.83Å; R317-E351 HydrophobicContact CB-CB 3.94Å; R317-E351 HydrophobicContact CB-CG 4.37Å; R317-E351 WeakPolarHBondContact CB-OE2 3.44Å; R317-E351 IonicContact CZ-OE1 3.54Å; R317-E351 IonicContact CZ-OE2 3.01Å; R317-E351 PolarHBondContact N-O 3.42Å; R317-E351 IonicContact NE-OE2 2.81Å; R317-E351 IonicContact NH1-OE1 2.7Å; R317-E351 PolarHBondContact NH1-OE1 3.39Å; R317-E351 IonicContact NH1-OE2 2.69Å; R317-E351 PolarHBondContact NH1-OE2 3.05Å; R317-E351 IonicContact NH2-OE1 2.88Å; R317-E351 PolarHBondContact NH2-OE1 3.29Å; R317-E351 IonicContact NH2-OE2 2.76Å; R317-E351 PolarHBondContact O-N 2.95Å |
| 318 | V | 97.5 | Very high | 91.6 | Very high | 67 Ų | 67 | 70.5 Ų | 70.5 | 41% | 0.406 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.1 | 174.3 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | P315 E347 H348 | P315-V318 HydrophobicContact CB-CG2 3.62Å; P315-V318 HydrophobicContact CG-CG2 3.94Å; V318-E347 HydrophobicContact CG1-CB 3.86Å; V318-E347 HydrophobicContact CG1-CG 4.17Å; V318-H348 CarbonylContact C-O 3.41Å; V318-H348 WeakPolarHBondContact CA-O 3.07Å |
| 319 | T | 97.1 | Very high | 92.8 | Very high | 46 Ų | 46 | 73 Ų | 73 | 28% | 0.282 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 157 | 173.4 | 65 | 0 | 0 | 0 | 0 | 111.1 | K321 E347 H348 E350 | T319-K321 WeakPolarHBondContact OG1-CE 3.46Å; T319-E347 WeakPolarHBondContact O-CA 3.42Å; T319-H348 PolarHBondContact N-O 3.03Å; T319-H348 PolarHBondContact O-N 3Å; T319-E350 HydrophobicContact CG2-CG 3.52Å; T319-E350 PolarHBondContact OG1-OE1 3.07Å; T319-E350 VanDerWaalsContact OG1-OE1 3.13Å |
| 320 | K | 97.1 | Very high | 93.5 | Very high | 133 Ų | 133 | 74.1 Ų | 74.1 | 58% | 0.578 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.1 | 173.5 | -72.8 | -179.2 | 178.9 | -170.4 | 0 | 109.3 | L346 E347 | K320-L346 WeakPolarHBondContact CA-O 3.42Å; K320-E347 HydrophobicContact CD-CG 4.38Å; K320-E347 VanDerWaalsContact CE-CG 3.48Å; K320-E347 WeakPolarHBondContact CE-OE1 3.49Å; K320-E347 HydrophobicContact CG-CG 3.9Å; K320-E347 IonicContact NZ-OE1 2.72Å; K320-E347 PolarHBondContact NZ-OE1 2.89Å |
| 321 | K | 96.6 | Very high | 93.5 | Very high | 75 Ų | 75 | 78.2 Ų | 78.2 | 33% | 0.326 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 134.6 | 179 | -65.7 | 178.2 | 179.7 | 162.6 | 0 | 108.6 | T319 H323 L346 H348 E350 | T319-K321 WeakPolarHBondContact OG1-CE 3.46Å; K321-H323 PolarHBondContact O-CD2 3.41Å; K321-H323 VanDerWaalsContact O-CD2 3.28Å; K321-L346 PolarHBondContact N-O 2.92Å; K321-L346 PolarHBondContact O-N 3.03Å; K321-H348 HydrophobicContact CD-CB 4.05Å; K321-E350 WeakPolarHBondContact CE-OE1 3.47Å; K321-E350 IonicContact NZ-OE1 2.63Å; K321-E350 PolarHBondContact NZ-OE1 3.05Å; K321-E350 IonicContact NZ-OE2 2.8Å; K321-E350 PolarHBondContact NZ-OE2 2.88Å |
| 322 | Y | 96.7 | Very high | 92.7 | Very high | 166 Ų | 166 | 80.9 Ų | 80.9 | 65% | 0.651 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 140 | 178.7 | -65.6 | -90.1 | 0 | 0 | 0 | 109.8 | D343 V344 A345 | Y322-D343 HydrophobicContact CD1-CB 4.1Å; Y322-V344 WeakPolarHBondContact CA-O 3.25Å; Y322-A345 HydrophobicContact CD1-CB 3.96Å; Y322-A345 HydrophobicContact CE1-CB 3.72Å |
| 323 | H | 96.9 | Very high | 91.7 | Very high | 46 Ų | 46 | 78.6 Ų | 78.6 | 21% | 0.213 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 123.5 | 179 | -60.7 | -105.4 | 0 | 0 | 0 | 108.8 | L292 K321 V325 D343 V344 H348 | L292-H323 HydrophobicContact CD1-CB 3.4Å; L292-H323 VanDerWaalsContact CD1-CB 3.4Å; K321-H323 PolarHBondContact O-CD2 3.41Å; K321-H323 VanDerWaalsContact O-CD2 3.28Å; H323-V325 PolarHBondContact O-N 3.11Å; H323-D343 CarbonylContact O-C 3.59Å; H323-D343 WeakPolarHBondContact O-CA 3.35Å; H323-V344 HydrophobicContact CB-CG2 4.18Å; H323-V344 PolarHBondContact N-O 2.72Å; H323-V344 WeakPolarHBondContact O-CG2 3.48Å; H323-V344 PolarHBondContact O-N 2.6Å; H323-H348 AromaticContact CE1-CE1 3.97Å; H323-H348 AromaticContact CE1-NE2 3.71Å; H323-H348 AromaticContact NE2-CE1 3.86Å; H323-H348 AromaticContact NE2-NE2 3.19Å; H323-H348 PolarHBondContact NE2-NE2 3.49Å; H323-H348 VanDerWaalsContact NE2-NE2 3.19Å |
| 324 | E | 97.4 | Very high | 90.4 | Very high | 131 Ų | 131 | 79 Ų | 79 | 61% | 0.612 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 127.1 | 176.1 | -162.9 | -163.3 | -160.8 | 0 | 0 | 109.9 | M341 | E324-M341 VanDerWaalsContact CD-CE 3.49Å; E324-M341 HydrophobicContact CG-CB 4.32Å; E324-M341 HydrophobicContact CG-CE 3.79Å; E324-M341 WeakPolarHBondContact OE1-CB 3.36Å |
| 325 | V | 97.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 89.3 Ų | 89.3 | 1% | 0.012 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 152.1 | 179.7 | -63 | 0 | 0 | 0 | 0 | 111.8 | L276 F287 L292 H323 L327 M341 T342 V344 | L276-V325 HydrophobicContact CD1-CG1 3.95Å; F287-V325 HydrophobicContact CD1-CG2 3.83Å; F287-V325 HydrophobicContact CE1-CG2 4.46Å; L292-V325 HydrophobicContact CD1-CG1 4.01Å; H323-V325 PolarHBondContact O-N 3.11Å; V325-L327 PolarHBondContact O-N 3.18Å; V325-M341 WeakPolarHBondContact O-CA 3.45Å; V325-T342 HydrophobicContact CG2-CG2 3.92Å; V325-T342 WeakPolarHBondContact CG2-O 3.31Å; V325-T342 PolarHBondContact N-O 2.79Å; V325-T342 PolarHBondContact O-N 3.26Å; V325-V344 HydrophobicContact CG1-CG2 4.02Å; V325-V344 HydrophobicContact CG2-CB 4.4Å; V325-V344 HydrophobicContact CG2-CG1 3.67Å; V325-V344 HydrophobicContact CG2-CG2 3.86Å |
| 326 | L | 97.1 | Very high | 88.3 | Confident | 49 Ų | 49 | 90 Ų | 90 | 26% | 0.257 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 113 | 173.9 | 175.2 | 62.8 | 0 | 0 | 0 | 109.9 | F287 W288 L328 K339 M341 | F287-L326 CarbonylContact C-O 3.58Å; W288-L326 HydrophobicContact CB-CB 4.21Å; W288-L326 HydrophobicContact CB-CD2 4.45Å; W288-L326 PolarHBondContact N-O 3.14Å; W288-L326 PolarHBondContact O-N 2.87Å; L326-L328 HydrophobicContact CD1-CD2 4.29Å; L326-L328 HydrophobicContact CD2-CD2 4.2Å; L326-L328 HydrophobicContact CG-CD2 4.05Å; L326-L328 HydrophobicContact CG-CG 4.36Å; L326-K339 HydrophobicContact CD1-CB 4.29Å; L326-M341 HydrophobicContact CB-SD 4.05Å; L326-M341 HydrophobicContact CD1-SD 3.95Å |
| 327 | L | 95.5 | Very high | 87.9 | Confident | 23 Ų | 23 | 89.5 Ų | 89.5 | 12% | 0.12 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 130.2 | 172.3 | -169.5 | 74.4 | 0 | 0 | 0 | 110.6 | V285 F287 V325 K339 S340 T342 | V285-L327 HydrophobicContact CB-CD1 3.73Å; V285-L327 HydrophobicContact CG1-CD1 4.01Å; V285-L327 HydrophobicContact CG1-CG 4.41Å; V285-L327 HydrophobicContact CG2-CD1 3.95Å; F287-L327 HydrophobicContact CD1-CD1 3.76Å; F287-L327 HydrophobicContact CE1-CD1 3.44Å; F287-L327 VanDerWaalsContact CE1-CD1 3.44Å; F287-L327 HydrophobicContact CZ-CD1 3.99Å; V325-L327 PolarHBondContact O-N 3.18Å; L327-K339 WeakPolarHBondContact O-CA 3.48Å; L327-S340 WeakPolarHBondContact CB-O 3.46Å; L327-S340 PolarHBondContact N-O 3.28Å; L327-S340 PolarHBondContact O-N 3.39Å; L327-T342 HydrophobicContact CB-CG2 3.89Å |
| 328 | L | 93.3 | Very high | 87.6 | Confident | 29 Ų | 29 | 89.2 Ų | 89.2 | 15% | 0.152 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 125.7 | 172.9 | -54.3 | 173 | 0 | 0 | 0 | 109.6 | I286 L326 Q338 K339 | I286-L328 HydrophobicContact CB-CB 4.23Å; I286-L328 HydrophobicContact CG2-CD1 4.5Å; I286-L328 PolarHBondContact N-O 2.9Å; I286-L328 PolarHBondContact O-N 3.21Å; L326-L328 HydrophobicContact CD1-CD2 4.29Å; L326-L328 HydrophobicContact CD2-CD2 4.2Å; L326-L328 HydrophobicContact CG-CD2 4.05Å; L326-L328 HydrophobicContact CG-CG 4.36Å; L328-Q338 WeakPolarHBondContact CA-O 3.5Å; L328-K339 HydrophobicContact CD2-CB 4Å; L328-K339 HydrophobicContact CD2-CD 4.1Å; L328-K339 HydrophobicContact CD2-CG 3.66Å |
| 329 | R | 90.8 | Very high | 87.4 | Confident | 100 Ų | 100 | 93.2 Ų | 93.2 | 38% | 0.377 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137.4 | 178.8 | -175.8 | -179.2 | -80.3 | 151.5 | -5.1 | 110.4 | V285 R331 L337 Q338 | V285-R329 HydrophobicContact CG1-CB 4.13Å; V285-R329 HydrophobicContact CG1-CG 4.22Å; R329-R331 PolarHBondContact O-N 2.9Å; R329-L337 CarbonylContact O-C 3.53Å; R329-L337 WeakPolarHBondContact O-CA 3.38Å; R329-Q338 PolarHBondContact N-O 2.99Å; R329-Q338 PolarHBondContact O-N 2.95Å |
| 330 | H | 84.8 | Confident | 87.3 | Confident | 122 Ų | 122 | 93.2 Ų | 93.2 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 126.9 | 174.7 | -161.5 | -66.8 | 0 | 0 | 0 | 110.6 | G334 L337 | H330-G334 PolarHBondContact CE1-O 3.19Å; H330-L337 HydrophobicContact CB-CD2 4.4Å |
| 331 | R | 78.6 | Confident | 87.3 | Confident | 173 Ų | 173 | 91.9 Ų | 91.9 | 65% | 0.653 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 133 | 172.6 | -172.7 | 173.2 | 178.5 | 168.5 | -0 | 109.4 | R329 G333 S336 | R329-R331 PolarHBondContact O-N 2.9Å; R331-G333 PolarHBondContact O-N 2.9Å; R331-S336 PolarHBondContact N-O 2.87Å |
| 332 | G | 67.5 | Low | 87.2 | Confident | 74 Ų | 74 | 90.9 Ų | 90.9 | 76% | 0.763 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 127.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 333 | G | 69.1 | Low | 87.2 | Confident | 92 Ų | 92 | 87.7 Ų | 87.7 | 95% | 0.948 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 8.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | R331 | R331-G333 PolarHBondContact O-N 2.9Š|
| 334 | G | 65.5 | Low | 87.2 | Confident | 30 Ų | 30 | 86 Ų | 86 | 31% | 0.309 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -153.4 | 156.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | H330 S336 | H330-G334 PolarHBondContact CE1-O 3.19Å; G334-S336 PolarHBondContact O-N 3.19Å |
| 335 | R | 67.6 | Low | 87.2 | Confident | 256 Ų | 256 | 81.7 Ų | 81.7 | 97% | 0.966 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -69.9 | 9.9 | -179.4 | -64.7 | -173.8 | 178.7 | -175.1 | 0.1 | 114.8 | ||
| 336 | S | 78 | Confident | 87.2 | Confident | 69 Ų | 69 | 81.9 Ų | 81.9 | 48% | 0.483 | 44% | 0.444 | S | S | . | . | trans | -105.6 | 127.9 | -173.3 | 48.6 | 0 | 0 | 0 | 0 | 112.5 | R331 G334 | R331-S336 PolarHBondContact N-O 2.87Å; G334-S336 PolarHBondContact O-N 3.19Å | ||
| 337 | L | 85.4 | Confident | 87.1 | Confident | 79 Ų | 79 | 83.4 Ų | 83.4 | 41% | 0.414 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 126.6 | 170 | -66.2 | 170.3 | 0 | 0 | 0 | 109.6 | R329 H330 | R329-L337 CarbonylContact O-C 3.53Å; R329-L337 WeakPolarHBondContact O-CA 3.38Å; H330-L337 HydrophobicContact CB-CD2 4.4Å |
| 338 | Q | 90.1 | Very high | 87.2 | Confident | 111 Ų | 111 | 83 Ų | 83 | 52% | 0.519 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 138 | 160.6 | -179.1 | 177.3 | 2.2 | 0 | 0 | 108.4 | L328 R329 | L328-Q338 WeakPolarHBondContact CA-O 3.5Å; R329-Q338 PolarHBondContact N-O 2.99Å; R329-Q338 PolarHBondContact O-N 2.95Å |
| 339 | K | 93.6 | Very high | 87.4 | Confident | 152 Ų | 152 | 82.9 Ų | 82.9 | 66% | 0.661 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 137.9 | -178.1 | -44.8 | -171.4 | -175 | 177.5 | 0 | 109.5 | L326 L327 L328 | L326-K339 HydrophobicContact CD1-CB 4.29Å; L327-K339 WeakPolarHBondContact O-CA 3.48Å; L328-K339 HydrophobicContact CD2-CB 4Å; L328-K339 HydrophobicContact CD2-CD 4.1Å; L328-K339 HydrophobicContact CD2-CG 3.66Å |
| 340 | S | 94.9 | Very high | 87.6 | Confident | 46 Ų | 46 | 80.9 Ų | 80.9 | 32% | 0.322 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 140.6 | 174.5 | 51.4 | 0 | 0 | 0 | 0 | 110.2 | L327 | L327-S340 WeakPolarHBondContact CB-O 3.46Å; L327-S340 PolarHBondContact N-O 3.28Å; L327-S340 PolarHBondContact O-N 3.39Å |
| 341 | M | 96.8 | Very high | 88 | Confident | 105 Ų | 105 | 79 Ų | 79 | 52% | 0.517 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 147.3 | 163.1 | -55.6 | -52.8 | -70.2 | 0 | 0 | 109.1 | E324 V325 L326 | E324-M341 VanDerWaalsContact CD-CE 3.49Å; E324-M341 HydrophobicContact CG-CB 4.32Å; E324-M341 HydrophobicContact CG-CE 3.79Å; E324-M341 WeakPolarHBondContact OE1-CB 3.36Å; V325-M341 WeakPolarHBondContact O-CA 3.45Å; L326-M341 HydrophobicContact CB-SD 4.05Å; L326-M341 HydrophobicContact CD1-SD 3.95Å |
| 342 | T | 95.4 | Very high | 88.7 | Confident | 54 Ų | 54 | 71.9 Ų | 71.9 | 33% | 0.331 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 144.3 | 174.1 | -173.3 | 0 | 0 | 0 | 0 | 109 | V325 L327 V344 | V325-T342 HydrophobicContact CG2-CG2 3.92Å; V325-T342 WeakPolarHBondContact CG2-O 3.31Å; V325-T342 PolarHBondContact N-O 2.79Å; V325-T342 PolarHBondContact O-N 3.26Å; L327-T342 HydrophobicContact CB-CG2 3.89Å; T342-V344 HydrophobicContact CG2-CG1 4.39Å |
| 343 | D | 96.8 | Very high | 89.7 | Confident | 98 Ų | 98 | 71 Ų | 71 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 141.2 | 164.2 | -64.6 | -57.9 | 0 | 0 | 0 | 110.1 | Y322 H323 | Y322-D343 HydrophobicContact CD1-CB 4.1Å; H323-D343 CarbonylContact O-C 3.59Å; H323-D343 WeakPolarHBondContact O-CA 3.35Å |
| 344 | V | 96.1 | Very high | 90.6 | Very high | 10 Ų | 10 | 68.6 Ų | 68.6 | 6% | 0.061 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.1 | 166.3 | -67 | 0 | 0 | 0 | 0 | 109.7 | L276 L280 F287 L292 Y322 H323 V325 T342 | L276-V344 HydrophobicContact CD2-CG2 3.95Å; L280-V344 HydrophobicContact CD1-CB 3.95Å; L280-V344 HydrophobicContact CD1-CG1 3.58Å; F287-V344 HydrophobicContact CD1-CG1 4.38Å; F287-V344 HydrophobicContact CE1-CG1 3.88Å; L292-V344 HydrophobicContact CD1-CG2 4.33Å; Y322-V344 WeakPolarHBondContact CA-O 3.25Å; H323-V344 HydrophobicContact CB-CG2 4.18Å; H323-V344 PolarHBondContact N-O 2.72Å; H323-V344 WeakPolarHBondContact O-CG2 3.48Å; H323-V344 PolarHBondContact O-N 2.6Å; V325-V344 HydrophobicContact CG1-CG2 4.02Å; V325-V344 HydrophobicContact CG2-CB 4.4Å; V325-V344 HydrophobicContact CG2-CG1 3.67Å; V325-V344 HydrophobicContact CG2-CG2 3.86Å; T342-V344 HydrophobicContact CG2-CG1 4.39Å |
| 345 | A | 96.6 | Very high | 91.6 | Very high | 42 Ų | 42 | 71.3 Ų | 71.3 | 35% | 0.347 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 122.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y322 | Y322-A345 HydrophobicContact CD1-CB 3.96Å; Y322-A345 HydrophobicContact CE1-CB 3.72Å |
| 346 | L | 97.2 | Very high | 92.3 | Very high | 6 Ų | 6 | 61.2 Ų | 61.2 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 148.1 | 173.7 | -63.5 | 179.2 | 0 | 0 | 0 | 110.6 | V274 L276 E279 L280 L292 V294 K320 K321 | V274-L346 HydrophobicContact CG2-CD1 4.41Å; L276-L346 HydrophobicContact CD2-CD1 3.83Å; L276-L346 HydrophobicContact CD2-CD2 4.06Å; L276-L346 HydrophobicContact CD2-CG 4.37Å; E279-L346 HydrophobicContact CB-CD2 3.98Å; E279-L346 HydrophobicContact CG-CD2 4.34Å; L280-L346 HydrophobicContact CD2-CD2 4.38Å; L292-L346 HydrophobicContact CB-CD1 4.11Å; L292-L346 HydrophobicContact CD1-CD1 3.92Å; V294-L346 HydrophobicContact CG1-CB 4Å; V294-L346 HydrophobicContact CG1-CD1 3.6Å; V294-L346 HydrophobicContact CG1-CG 4.43Å; K320-L346 WeakPolarHBondContact CA-O 3.42Å; K321-L346 PolarHBondContact N-O 2.92Å; K321-L346 PolarHBondContact O-N 3.03Å |
| 347 | E | 96.6 | Very high | 92.2 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 38% | 0.379 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.6 | 178.6 | -74.1 | 174.7 | -178.6 | 0 | 0 | 110.8 | R296 V318 T319 K320 | R296-E347 PolarHBondContact NH1-O 3.26Å; V318-E347 HydrophobicContact CG1-CB 3.86Å; V318-E347 HydrophobicContact CG1-CG 4.17Å; T319-E347 WeakPolarHBondContact O-CA 3.42Å; K320-E347 HydrophobicContact CD-CG 4.38Å; K320-E347 VanDerWaalsContact CE-CG 3.48Å; K320-E347 WeakPolarHBondContact CE-OE1 3.49Å; K320-E347 HydrophobicContact CG-CG 3.9Å; K320-E347 IonicContact NZ-OE1 2.72Å; K320-E347 PolarHBondContact NZ-OE1 2.89Å |
| 348 | H | 97.6 | Very high | 91.1 | Very high | 14 Ų | 14 | 66.9 Ų | 66.9 | 7% | 0.065 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128 | 178.2 | -75.5 | -123 | 0 | 0 | 0 | 108.9 | V294 K295 V318 T319 K321 H323 E350 | V294-H348 VanDerWaalsContact CA-CE1 3.49Å; V294-H348 WeakPolarHBondContact CA-CE1 3.32Å; V294-H348 WeakPolarHBondContact CG1-NE2 3.1Å; K295-H348 HydrophobicContact CB-CB 4.19Å; K295-H348 PolarHBondContact N-ND1 2.88Å; K295-H348 WeakPolarHBondContact O-CA 3.49Å; V318-H348 CarbonylContact C-O 3.41Å; V318-H348 WeakPolarHBondContact CA-O 3.07Å; T319-H348 PolarHBondContact N-O 3.03Å; T319-H348 PolarHBondContact O-N 3Å; K321-H348 HydrophobicContact CD-CB 4.05Å; H323-H348 AromaticContact CE1-CE1 3.97Å; H323-H348 AromaticContact CE1-NE2 3.71Å; H323-H348 AromaticContact NE2-CE1 3.86Å; H323-H348 AromaticContact NE2-NE2 3.19Å; H323-H348 PolarHBondContact NE2-NE2 3.49Å; H323-H348 VanDerWaalsContact NE2-NE2 3.19Å; H348-E350 WeakPolarHBondContact CB-OE1 3.44Å; H348-E350 PolarHBondContact O-N 2.87Å |
| 349 | H | 97.1 | Very high | 89.2 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 13% | 0.125 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 113.5 | 175.6 | -56.7 | -166.7 | 0 | 0 | 0 | 107.1 | K295 R296 C297 P315 R317 | K295-H349 VanDerWaalsContact CB-O 3.23Å; K295-H349 WeakPolarHBondContact CB-O 3.43Å; K295-H349 PolarHBondContact O-N 2.81Å; R296-H349 WeakPolarHBondContact CD-NE2 3.38Å; R296-H349 PolarHBondContact NH1-NE2 2.97Å; R296-H349 VanDerWaalsContact NH1-NE2 3.15Å; C297-H349 PolarHBondContact N-ND1 2.93Å; C297-H349 VanDerWaalsContact N-ND1 3.14Å; C297-H349 PolarHBondContact SG-ND1 3.45Å; C297-H349 VanDerWaalsContact SG-ND1 3.36Å; P315-H349 HydrophobicContact CB-CB 4.06Å; R317-H349 CarbonylContact O-C 3.55Å |
| 350 | E | 94.9 | Very high | 86.9 | Confident | 57 Ų | 57 | 70.5 Ų | 70.5 | 27% | 0.266 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -31.8 | -179.3 | -57.5 | -57.1 | 113.6 | 0 | 0 | 111.9 | P269 R317 T319 K321 H348 | P269-E350 VanDerWaalsContact CG-O 3.3Å; P269-E350 WeakPolarHBondContact CG-O 3.44Å; R317-E350 HydrophobicContact CB-CB 4.49Å; R317-E350 HydrophobicContact CG-CB 4.47Å; R317-E350 PolarHBondContact O-N 2.83Å; T319-E350 HydrophobicContact CG2-CG 3.52Å; T319-E350 PolarHBondContact OG1-OE1 3.07Å; T319-E350 VanDerWaalsContact OG1-OE1 3.13Å; K321-E350 WeakPolarHBondContact CE-OE1 3.47Å; K321-E350 IonicContact NZ-OE1 2.63Å; K321-E350 PolarHBondContact NZ-OE1 3.05Å; K321-E350 IonicContact NZ-OE2 2.8Å; K321-E350 PolarHBondContact NZ-OE2 2.88Å; H348-E350 WeakPolarHBondContact CB-OE1 3.44Å; H348-E350 PolarHBondContact O-N 2.87Å |
| 351 | E | 93.4 | Very high | 84 | Confident | 82 Ų | 82 | 80.1 Ų | 80.1 | 38% | 0.383 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 147.3 | 179.2 | -69.6 | 166.3 | 170.2 | 0 | 0 | 109.4 | P315 T316 R317 | P315-E351 WeakPolarHBondContact CA-O 3.43Å; T316-E351 PolarHBondContact N-O 2.94Å; T316-E351 VanDerWaalsContact OG1-C 3.27Å; T316-E351 VanDerWaalsContact OG1-CB 3.23Å; T316-E351 WeakPolarHBondContact OG1-CB 3.3Å; T316-E351 PolarHBondContact OG1-O 2.81Å; R317-E351 HydrophobicContact CB-CB 3.94Å; R317-E351 HydrophobicContact CB-CG 4.37Å; R317-E351 WeakPolarHBondContact CB-OE2 3.44Å; R317-E351 IonicContact CZ-OE1 3.54Å; R317-E351 IonicContact CZ-OE2 3.01Å; R317-E351 PolarHBondContact N-O 3.42Å; R317-E351 IonicContact NE-OE2 2.81Å; R317-E351 IonicContact NH1-OE1 2.7Å; R317-E351 PolarHBondContact NH1-OE1 3.39Å; R317-E351 IonicContact NH1-OE2 2.69Å; R317-E351 PolarHBondContact NH1-OE2 3.05Å; R317-E351 IonicContact NH2-OE1 2.88Å; R317-E351 PolarHBondContact NH2-OE1 3.29Å; R317-E351 IonicContact NH2-OE2 2.76Å; R317-E351 PolarHBondContact O-N 2.95Å |
| 352 | C | 92.3 | Very high | 83.3 | Confident | 24 Ų | 24 | 78.9 Ų | 78.9 | 16% | 0.162 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 149.2 | -174.8 | -56.2 | 0 | 0 | 0 | 0 | 109.5 | C297 V314 | C297-C352 WeakPolarHBondContact CA-SG 3.48Å; C297-C352 HydrophobicContact CB-CB 3.77Å; C297-C352 WeakPolarHBondContact CB-SG 3.37Å; C297-C352 WeakPolarHBondContact SG-CB 3.42Å; C297-C352 CovalentContact SG-SG 2.03Å; C297-C352 PolarHBondContact SG-SG 2.81Å; V314-C352 CarbonylContact O-C 3.54Å; V314-C352 VanDerWaalsContact O-CA 3.29Å; V314-C352 WeakPolarHBondContact O-CA 3.32Å |
| 353 | S | 88.8 | Confident | 82.7 | Confident | 55 Ų | 55 | 80.2 Ų | 80.2 | 39% | 0.385 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 165.2 | 170.1 | -167.3 | 0 | 0 | 0 | 0 | 110.7 | C267 V314 | C267-S353 PolarHBondContact SG-O 3.46Å; C267-S353 VanDerWaalsContact SG-O 3.39Å; V314-S353 PolarHBondContact N-O 3.38Å; V314-S353 PolarHBondContact O-N 3.41Å |
| 354 | C | 87.6 | Confident | 81.9 | Confident | 43 Ų | 43 | 79.2 Ų | 79.2 | 29% | 0.291 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 123.4 | 170.7 | -73.5 | 0 | 0 | 0 | 0 | 109.5 | C267 C301 | C267-C354 WeakPolarHBondContact CB-SG 3.43Å; C301-C354 WeakPolarHBondContact CA-SG 3.37Å; C301-C354 HydrophobicContact CB-CB 3.69Å; C301-C354 WeakPolarHBondContact CB-SG 3.47Å; C301-C354 WeakPolarHBondContact SG-CB 3.42Å; C301-C354 CovalentContact SG-SG 2.03Å; C301-C354 PolarHBondContact SG-SG 3.01Å |
| 355 | V | 86.3 | Confident | 81.1 | Confident | 87 Ų | 87 | 83.3 Ų | 83.3 | 53% | 0.527 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.8 | 172.7 | 173.3 | 0 | 0 | 0 | 0 | 108.1 | C311 Q312 V314 | C311-V355 CarbonylContact C-O 3.58Å; C311-V355 WeakPolarHBondContact CA-O 3.23Å; Q312-V355 PolarHBondContact N-O 3.38Å; Q312-V355 PolarHBondContact O-N 3.44Å; V314-V355 HydrophobicContact CG2-CB 3.94Å; V314-V355 HydrophobicContact CG2-CG2 3.47Å; V314-V355 VanDerWaalsContact CG2-CG2 3.47Å |
| 356 | C | 83.9 | Confident | 80.1 | Confident | 44 Ų | 44 | 85.9 Ų | 85.9 | 30% | 0.297 | 45% | 0.45 | S | S | . | . | trans | -100.5 | 155.9 | -178.2 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | C311 | C311-C356 HydrophobicContact CB-CB 4.06Å; C311-C356 WeakPolarHBondContact CB-SG 3.3Å; C311-C356 WeakPolarHBondContact SG-CB 3.42Å; C311-C356 CovalentContact SG-SG 2.03Å; C311-C356 PolarHBondContact SG-SG 2.63Å | ||
| 357 | K | 73.9 | Confident | 79 | Confident | 157 Ų | 157 | 91.2 Ų | 91.2 | 68% | 0.683 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -93.7 | 89.2 | 168.3 | -69.9 | 178.9 | -179.2 | 172.2 | 0 | 109.7 | ||
| 358 | D | 63.1 | Low | 77.7 | Confident | 109 Ų | 109 | 91.9 Ų | 91.9 | 58% | 0.583 | 49% | 0.485 | S | S | * | . | trans | -179.6 | 76.2 | 154.5 | -86.1 | -31 | 0 | 0 | 0 | 106.7 | R307 | R307-D358 VanDerWaalsContact CD-OD2 3.25Å; R307-D358 WeakPolarHBondContact CD-OD2 3.36Å; R307-D358 IonicContact CZ-OD2 2.59Å; R307-D358 IonicContact NE-OD2 3.48Å; R307-D358 IonicContact NH1-OD1 3.26Å; R307-D358 PolarHBondContact NH1-OD1 3.28Å; R307-D358 IonicContact NH1-OD2 2.87Å; R307-D358 PolarHBondContact NH1-OD2 2.81Å | ||
| 359 | D | 51.2 | Low | 76.2 | Confident | 152 Ų | 152 | 97.9 Ų | 97.9 | 81% | 0.813 | 52% | 0.517 | S | S | * | . | trans | -148.4 | 18.2 | -174 | -131.9 | -15.9 | 0 | 0 | 0 | 111.9 | ||||
| 360 | Q | 44.2 | Very low | 74.5 | Confident | 187 Ų | 187 | 103.8 Ų | 103.8 | 87% | 0.874 | 55% | 0.55 | S | S | * | . | trans | -153.5 | 91.3 | 174.7 | -71.6 | -165.6 | -11.1 | 0 | 0 | 111 | ||||
| 361 | D | 34.1 | Very low | 72.6 | Confident | 249 Ų | 249 | 108.1 Ų | 108.1 | 100% | 1.332 | 58% | 0.575 | S | S | * | * | trans | -166.3 | 0 | 145.3 | -100.5 | -23.9 | 0 | 0 | 0 | 109.6 |
Retrieved 361 of 361 residues in 278 ms
(Link to these results)