| 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 | 44.2 | Very low | 38.7 | Very low | 221 Ų | 221 | 154.9 Ų | 154.9 | 100% | 1.089 | 82% | 0.824 | S | S | * | * | 0 | 45.3 | 0 | -56.1 | -94.5 | -92.4 | 0 | 0 | 108.4 | |||||
| 2 | Q | 38.2 | Very low | 38.4 | Very low | 184 Ų | 184 | 153.8 Ų | 153.8 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | 33.4 | 86.5 | 75.4 | -76.1 | -174.4 | 4.9 | 0 | 0 | 113.9 | |||||
| 3 | H | 40.4 | Very low | 37.9 | Very low | 188 Ų | 188 | 155.8 Ų | 155.8 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | trans | -117.8 | 111.1 | 151.1 | -82.8 | -79.9 | 0 | 0 | 0 | 108.4 | ||||
| 4 | Q | 40.6 | Very low | 37.6 | Very low | 163 Ų | 163 | 150.8 Ų | 150.8 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | trans | -96.3 | 165.3 | 171.5 | -172 | 105.1 | 29.7 | 0 | 0 | 107.7 | ||||
| 5 | L | 41.8 | Very low | 37.2 | Very low | 165 Ų | 165 | 151.9 Ų | 151.9 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | 97 | 136 | 160.2 | -54.4 | 171.8 | 0 | 0 | 0 | 114.8 | ||||
| 6 | A | 40.5 | Very low | 37 | Very low | 84 Ų | 84 | 150.1 Ų | 150.1 | 69% | 0.694 | 82% | 0.815 | S | S | * | * | cis | -162.4 | 147.7 | -3.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 7 | L | 40.3 | Very low | 36.8 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -65 | 134.8 | 159 | -78 | 144.5 | 0 | 0 | 0 | 109.7 | ||||
| 8 | C | 36.9 | Very low | 36.4 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -121.8 | 95.1 | 156.3 | -72.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 9 | V | 35.9 | Very low | 36.3 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 70% | 0.703 | 81% | 0.814 | S | S | * | * | trans | -84.5 | 127.8 | 152.7 | 167.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 10 | E | 33.7 | Very low | 36.4 | Very low | 195 Ų | 195 | 143.9 Ų | 143.9 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -143.2 | 142.7 | 158.7 | -136.6 | 170.4 | 177.2 | 0 | 0 | 110.8 | ||||
| 11 | T | 33.7 | Very low | 36.7 | Very low | 97 Ų | 97 | 144.5 Ų | 144.5 | 60% | 0.595 | 81% | 0.813 | S | S | * | * | trans | -130.1 | 131 | -157 | -69 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 12 | I | 34.9 | Very low | 36.6 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 73% | 0.728 | 80% | 0.802 | S | S | * | * | trans | 57.7 | 125.5 | 150.1 | -57.3 | 167 | 0 | 0 | 0 | 118.6 | ||||
| 13 | M | 31.2 | Very low | 37.1 | Very low | 180 Ų | 180 | 144.6 Ų | 144.6 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | -166.9 | 114.8 | 119.4 | -72.8 | -126.2 | 179.5 | 0 | 0 | 106.6 | |||||
| 14 | A | 33.6 | Very low | 37.2 | Very low | 85 Ų | 85 | 141.6 Ų | 141.6 | 70% | 0.702 | 80% | 0.802 | S | S | * | * | 60.5 | 93.8 | 76.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 15 | D | 31.9 | Very low | 37.6 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -138.7 | 134.2 | 158.2 | -119 | -22.6 | 0 | 0 | 0 | 110.9 | ||||
| 16 | T | 34.8 | Very low | 38.4 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -104.4 | 132.2 | -164.5 | 38.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 17 | V | 32.3 | Very low | 39.1 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | 71.3 | 118.4 | 142.4 | -172.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 18 | S | 30.9 | Very low | 40.2 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | -156.4 | 123.1 | 124.6 | -163.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 19 | S | 34.8 | Very low | 41.3 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -69.7 | 136.9 | -177.6 | -123.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 20 | S | 36.8 | Very low | 42.6 | Very low | 110 Ų | 110 | 153.9 Ų | 153.9 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -135.9 | 121.3 | 151.4 | 48.7 | 0 | 0 | 0 | 0 | 110.3 | L22 | S20-L22 PolarHBondContact O-N 3.5Š| ||
| 21 | D | 44 | Very low | 44 | Very low | 156 Ų | 156 | 150.3 Ų | 150.3 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -60.5 | 115.3 | -177.3 | -76.5 | -66.8 | 0 | 0 | 0 | 112.6 | ||||
| 22 | L | 42.2 | Very low | 45.5 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -126.5 | 104.8 | 160.7 | -68.1 | 176.8 | 0 | 0 | 0 | 109.1 | S20 P24 | S20-L22 PolarHBondContact O-N 3.5Å; L22-P24 WeakPolarHBondContact O-CD 3.49Å | ||
| 23 | R | 47.2 | Very low | 46.8 | Very low | 246 Ų | 246 | 149.8 Ų | 149.8 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 123.3 | 174.5 | -67.3 | 175.6 | 178.7 | 176.4 | -0.8 | 109.9 | S25 | R23-S25 PolarHBondContact O-N 2.85Š|
| 24 | P | 42.8 | Very low | 48.4 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 125.1 | 173.1 | 28 | -29.4 | 0 | 0 | 0 | 109.7 | L22 | L22-P24 WeakPolarHBondContact O-CD 3.49Š|
| 25 | S | 49.2 | Very low | 49.9 | Very low | 84 Ų | 84 | 145.5 Ų | 145.5 | 59% | 0.587 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 141.1 | 171.5 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | R23 K27 | R23-S25 PolarHBondContact O-N 2.85Å; S25-K27 WeakPolarHBondContact O-CG 3.34Å; S25-K27 PolarHBondContact O-N 2.99Å |
| 26 | A | 57.9 | Low | 51.6 | Low | 110 Ų | 110 | 142.9 Ų | 142.9 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | -53.3 | 105.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 27 | K | 56.1 | Low | 53.3 | Low | 175 Ų | 175 | 142.7 Ų | 142.7 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | trans | -123.5 | 106.2 | 178.7 | -74.9 | 173.7 | -176.3 | 177.2 | 0 | 109.6 | S25 | S25-K27 WeakPolarHBondContact O-CG 3.34Å; S25-K27 PolarHBondContact O-N 2.99Å | ||
| 28 | R | 63 | Low | 55 | Low | 235 Ų | 235 | 141.5 Ų | 141.5 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | trans | 37.9 | 110.6 | 154.1 | -54.7 | 175.6 | 91.2 | -176.4 | 6 | 115.8 | R30 | R28-R30 PolarHBondContact O-N 3.44Š| ||
| 29 | R | 61.1 | Low | 56.5 | Low | 228 Ų | 228 | 141.5 Ų | 141.5 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -45 | 107.7 | 165.9 | -103.7 | 174.5 | 75.5 | -175.8 | 4 | 109.4 | L31 | R29-L31 PolarHBondContact O-N 3.42Š| ||
| 30 | R | 62.3 | Low | 58.1 | Low | 244 Ų | 244 | 141.5 Ų | 141.5 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | -70 | 109.7 | 164.2 | -69.1 | -167.9 | 176.5 | -131 | 2.5 | 106.4 | R28 | R28-R30 PolarHBondContact O-N 3.44Š| ||
| 31 | L | 64 | Low | 59.5 | Low | 121 Ų | 121 | 142.1 Ų | 142.1 | 63% | 0.634 | 76% | 0.761 | S | S | * | * | trans | -72 | 126.1 | 170.8 | -99 | 132.9 | 0 | 0 | 0 | 108.2 | R29 | R29-L31 PolarHBondContact O-N 3.42Š| ||
| 32 | N | 64.6 | Low | 60.2 | Low | 120 Ų | 120 | 144.2 Ų | 144.2 | 64% | 0.642 | 76% | 0.758 | S | S | * | * | trans | -65.6 | 126.8 | 172.6 | -98.2 | -29.2 | 0 | 0 | 0 | 109.1 | A34 A35 | N32-A34 PolarHBondContact O-N 3.25Å; N32-A35 HydrophobicContact CB-CB 4.16Å; N32-A35 WeakPolarHBondContact O-CB 3.47Å; N32-A35 PolarHBondContact O-N 3.42Å | ||
| 33 | P | 62.8 | Low | 61.4 | Low | 108 Ų | 108 | 141.2 Ų | 141.2 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -64.4 | -23.9 | 179.8 | 25.1 | -32.9 | 0 | 0 | 0 | 112.6 | A35 | P33-A35 VanDerWaalsContact C-N 3.28Å; P33-A35 PolarHBondContact O-N 3.47Å |
| 34 | A | 64.3 | Low | 62 | Low | 104 Ų | 104 | 134.9 Ų | 134.9 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -74.7 | -12.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | N32 | N32-A34 PolarHBondContact O-N 3.25Š|
| 35 | A | 65.9 | Low | 62.8 | Low | 70 Ų | 70 | 139.6 Ų | 139.6 | 58% | 0.579 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -96.1 | 3.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | N32 P33 V37 | N32-A35 HydrophobicContact CB-CB 4.16Å; N32-A35 WeakPolarHBondContact O-CB 3.47Å; N32-A35 PolarHBondContact O-N 3.42Å; P33-A35 VanDerWaalsContact C-N 3.28Å; P33-A35 PolarHBondContact O-N 3.47Å; A35-V37 PolarHBondContact O-N 3.29Å |
| 36 | I | 66.4 | Low | 63.2 | Low | 112 Ų | 112 | 141.4 Ų | 141.4 | 57% | 0.574 | 75% | 0.753 | S | S | * | * | trans | -86.8 | 105.4 | 178.6 | -58.4 | 172.9 | 0 | 0 | 0 | 107.8 | P38 | I36-P38 WeakPolarHBondContact O-CD 3.5Š| ||
| 37 | V | 71.7 | Confident | 63 | Low | 120 Ų | 120 | 141.5 Ų | 141.5 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -79.3 | 115.8 | 171.9 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | A35 V39 | A35-V37 PolarHBondContact O-N 3.29Å; V37-V39 PolarHBondContact O-N 3.21Å | ||
| 38 | P | 66.5 | Low | 63.1 | Low | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 118.5 | 178.3 | 27.3 | -31.2 | 0 | 0 | 0 | 109.5 | I36 | I36-P38 WeakPolarHBondContact O-CD 3.5Š|
| 39 | V | 63 | Low | 62.8 | Low | 120 Ų | 120 | 131.5 Ų | 131.5 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 118.4 | 174 | -177.8 | 0 | 0 | 0 | 0 | 108 | V37 V41 | V37-V39 PolarHBondContact O-N 3.21Å; V39-V41 PolarHBondContact O-N 3.21Å |
| 40 | P | 69.1 | Low | 62.4 | Low | 108 Ų | 108 | 128.2 Ų | 128.2 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 130.2 | 178.1 | 25.8 | -31.3 | 0 | 0 | 0 | 110.4 | Y42 | P40-Y42 VanDerWaalsContact C-N 3.29Å; P40-Y42 PolarHBondContact O-N 3.34Å |
| 41 | V | 66.3 | Low | 62.1 | Low | 124 Ų | 124 | 125.8 Ų | 125.8 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -82.4 | -5.8 | -175.6 | 179.7 | 0 | 0 | 0 | 0 | 112.6 | V39 | V39-V41 PolarHBondContact O-N 3.21Š|
| 42 | Y | 58.4 | Low | 61.7 | Low | 199 Ų | 199 | 127.4 Ų | 127.4 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -134.1 | 145.6 | 175.4 | -61.6 | -77.5 | 0 | 0 | 0 | 111.3 | P40 S44 | P40-Y42 VanDerWaalsContact C-N 3.29Å; P40-Y42 PolarHBondContact O-N 3.34Å; Y42-S44 PolarHBondContact O-N 2.9Å |
| 43 | S | 66.5 | Low | 60.9 | Low | 100 Ų | 100 | 130.8 Ų | 130.8 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | trans | -59.5 | 137.7 | -177.6 | 91.7 | 0 | 0 | 0 | 0 | 111.1 | R45 | S43-R45 PolarHBondContact O-N 3.05Š| ||
| 44 | S | 60.6 | Low | 60.1 | Low | 113 Ų | 113 | 131.3 Ų | 131.3 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -68.8 | 22.5 | -179.9 | 53.3 | 0 | 0 | 0 | 0 | 114.9 | Y42 | Y42-S44 PolarHBondContact O-N 2.9Š|
| 45 | R | 59.4 | Low | 59.4 | Low | 224 Ų | 224 | 133.5 Ų | 133.5 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | -93.2 | 13 | -171.8 | -69.7 | -142.3 | 179.3 | -166.9 | 2 | 116.1 | S43 | S43-R45 PolarHBondContact O-N 3.05Š| ||
| 46 | V | 57.3 | Low | 58.4 | Low | 122 Ų | 122 | 134.1 Ų | 134.1 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | trans | -143 | 84.6 | 167.4 | -163.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 47 | S | 54 | Low | 57.4 | Low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -114.5 | 49.3 | 177 | 64.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 48 | S | 57.8 | Low | 56.1 | Low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -171.9 | 70.6 | 174 | 58.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 49 | S | 56.3 | Low | 55 | Low | 96 Ų | 96 | 140.4 Ų | 140.4 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -150.6 | 21.2 | 169.7 | -52.7 | 0 | 0 | 0 | 0 | 116.3 | ||
| 50 | L | 52.4 | Low | 53.5 | Low | 159 Ų | 159 | 138.4 Ų | 138.4 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -146.7 | 85.7 | 165.1 | -69.4 | 178.4 | 0 | 0 | 0 | 109.8 | L52 | L50-L52 PolarHBondContact O-N 2.8Š| ||
| 51 | Q | 56.8 | Low | 51.7 | Low | 193 Ų | 193 | 137 Ų | 137 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -82.1 | 92.3 | 165.3 | -70.6 | -173.4 | -1.5 | 0 | 0 | 108.4 | ||||
| 52 | L | 56.4 | Low | 50.2 | Low | 155 Ų | 155 | 142.9 Ų | 142.9 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -84.2 | 114.5 | 165 | -66.9 | 174.1 | 0 | 0 | 0 | 107.7 | L50 P54 | L50-L52 PolarHBondContact O-N 2.8Å; L52-P54 WeakPolarHBondContact O-CD 3.47Å | ||
| 53 | K | 47.4 | Very low | 49 | Very low | 191 Ų | 191 | 141.9 Ų | 141.9 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | -67.2 | 125.1 | 173.5 | -69.7 | 177.8 | 177 | 175 | 0 | 108.6 | T55 | K53-T55 PolarHBondContact O-N 3Š| ||
| 54 | P | 46.4 | Very low | 47.4 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | trans | -74.6 | 117.3 | 173 | 26.9 | -27.8 | 0 | 0 | 0 | 109.5 | L52 A56 | L52-P54 WeakPolarHBondContact O-CD 3.47Å; P54-A56 VanDerWaalsContact C-N 3.29Å; P54-A56 PolarHBondContact O-N 3.42Å | ||
| 55 | T | 47.8 | Very low | 46.2 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | trans | -77.1 | 84.3 | 167.2 | -50.8 | 0 | 0 | 0 | 0 | 108.4 | K53 | K53-T55 PolarHBondContact O-N 3Š| ||
| 56 | A | 46.5 | Very low | 45 | Very low | 82 Ų | 82 | 139.1 Ų | 139.1 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | trans | -126.4 | 90.4 | 168 | 0 | 0 | 0 | 0 | 0 | 107.8 | P54 | P54-A56 VanDerWaalsContact C-N 3.29Å; P54-A56 PolarHBondContact O-N 3.42Å | ||
| 57 | C | 44.7 | Very low | 44 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | trans | -175.9 | 74.2 | 162.2 | -93.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 58 | L | 43.7 | Very low | 43 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -156.9 | 53.4 | 156.4 | -79.8 | -169.5 | 0 | 0 | 0 | 110.5 | ||||
| 59 | L | 45.1 | Very low | 42 | Very low | 185 Ų | 185 | 137 Ų | 137 | 97% | 0.969 | 82% | 0.816 | S | S | * | * | trans | -142.5 | 92.2 | 158.3 | -73.5 | 179.8 | 0 | 0 | 0 | 107.5 | ||||
| 60 | G | 30.5 | Very low | 41.3 | Very low | 77 Ų | 77 | 140 Ų | 140 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -168.7 | 81.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 61 | G | 31.6 | Very low | 40.9 | Very low | 80 Ų | 80 | 141.3 Ų | 141.3 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | 59.6 | 113.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 62 | R | 33.6 | Very low | 40.3 | Very low | 247 Ų | 247 | 137.2 Ų | 137.2 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | -155.2 | 132.8 | 125.5 | -160.3 | 150.4 | 165.4 | -166.3 | -7.3 | 111.9 | |||||
| 63 | E | 33.5 | Very low | 39.6 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | trans | -84 | 156.4 | 177.4 | -17.3 | -179.1 | 118.3 | 0 | 0 | 109.3 | ||||
| 64 | S | 33.6 | Very low | 39.2 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | trans | 83.4 | 125.4 | 164.9 | 87.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 65 | S | 34.7 | Very low | 38.8 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 83% | 0.832 | S | S | * | * | trans | 103.4 | 98.6 | 141.4 | -52.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 66 | D | 34.7 | Very low | 38.2 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | 56.4 | 140.2 | 118.3 | -150.7 | 29.6 | 0 | 0 | 0 | 121 | |||||
| 67 | D | 37.3 | Very low | 37.3 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 81% | 0.807 | 84% | 0.84 | S | S | * | * | trans | 89.3 | 131.3 | 158.7 | -154.1 | 47.1 | 0 | 0 | 0 | 121 | ||||
| 68 | G | 33.1 | Very low | 36.8 | Very low | 63 Ų | 63 | 148.4 Ų | 148.4 | 65% | 0.649 | 84% | 0.835 | S | S | * | * | trans | 75.9 | 109 | 135.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 69 | G | 36.3 | Very low | 36.5 | Very low | 79 Ų | 79 | 146 Ų | 146 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | trans | -76.2 | 164.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 70 | D | 42.3 | Very low | 35.9 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -163.1 | 132.2 | 141 | 49.6 | 15.9 | 0 | 0 | 0 | 110.9 | ||||
| 71 | E | 43.1 | Very low | 36.2 | Very low | 188 Ų | 188 | 155.5 Ų | 155.5 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | -72.2 | 124.8 | 157.5 | -73.2 | -161.3 | 100.2 | 0 | 0 | 108.6 | ||||
| 72 | S | 44.1 | Very low | 36.8 | Very low | 106 Ų | 106 | 157.2 Ų | 157.2 | 74% | 0.741 | 83% | 0.825 | S | S | * | * | trans | 161.4 | 95.7 | 142.4 | -82.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 73 | L | 41.7 | Very low | 36.8 | Very low | 168 Ų | 168 | 150.3 Ų | 150.3 | 88% | 0.88 | 82% | 0.821 | S | S | * | * | trans | -131.8 | 44 | 163.9 | -74.6 | 177.8 | 0 | 0 | 0 | 111.8 | ||||
| 74 | W | 39.5 | Very low | 36.8 | Very low | 264 Ų | 264 | 147.9 Ų | 147.9 | 100% | 1 | 82% | 0.818 | S | S | * | * | trans | -132.2 | 34 | 171.7 | -71.2 | 112.7 | 0 | 0 | 0 | 113.5 | ||||
| 75 | A | 37.8 | Very low | 36.9 | Very low | 96 Ų | 96 | 148.8 Ų | 148.8 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | trans | -116.7 | 71.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 76 | E | 34.5 | Very low | 36.9 | Very low | 177 Ų | 177 | 151.8 Ų | 151.8 | 83% | 0.827 | 82% | 0.82 | S | S | * | * | trans | -158.7 | 67.8 | 152.7 | -154.1 | 166 | -169.8 | 0 | 0 | 112.9 | ||||
| 77 | F | 28.9 | Very low | 36.8 | Very low | 216 Ų | 216 | 152.1 Ų | 152.1 | 95% | 0.947 | 82% | 0.821 | S | S | * | * | trans | -146.8 | 104.1 | 149.5 | -91.1 | -76.1 | 0 | 0 | 0 | 108.9 | ||||
| 78 | N | 33.8 | Very low | 36.6 | Very low | 132 Ų | 132 | 150.2 Ų | 150.2 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | trans | -126.5 | 125.8 | 171.4 | -150.1 | -11.8 | 0 | 0 | 0 | 107 | ||||
| 79 | P | 37.1 | Very low | 36.3 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 79% | 0.792 | 83% | 0.828 | S | S | * | * | trans | -127.4 | 127.3 | 132.1 | 28.8 | -16.5 | 0 | 0 | 0 | 111.2 | R81 | P79-R81 PolarHBondContact O-N 3Š| ||
| 80 | R | 33.1 | Very low | 36.2 | Very low | 224 Ų | 224 | 155 Ų | 155 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -63.9 | 122.5 | 172.3 | -69 | 171.3 | 165.3 | 160 | -4.8 | 110.7 | ||||
| 81 | R | 37 | Very low | 35.6 | Very low | 238 Ų | 238 | 155.9 Ų | 155.9 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | 24.6 | 165.6 | 134.9 | -74.5 | -171.3 | 172.8 | -165.9 | -1.7 | 120.9 | P79 | P79-R81 PolarHBondContact O-N 3Š| ||
| 82 | P | 44.2 | Very low | 35.1 | Very low | 116 Ų | 116 | 155.3 Ų | 155.3 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | cis | -135.2 | 165.6 | -46.7 | 37.7 | -20.5 | 0 | 0 | 0 | 111.8 | ||||
| 83 | A | 31.9 | Very low | 34.8 | Very low | 102 Ų | 102 | 158 Ų | 158 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -133.6 | 119 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 84 | V | 34.2 | Very low | 34.6 | Very low | 126 Ų | 126 | 155.9 Ų | 155.9 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | -77.4 | 125.3 | 177.2 | 172.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 85 | V | 36.6 | Very low | 34.3 | Very low | 129 Ų | 129 | 151.5 Ų | 151.5 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | -145.9 | 96.1 | 152 | -171.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 86 | E | 33.3 | Very low | 34.4 | Very low | 171 Ų | 171 | 152.2 Ų | 152.2 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | -72.9 | 134.7 | 153.8 | -69.2 | -172.7 | 147.5 | 0 | 0 | 107.9 | ||||
| 87 | L | 33.8 | Very low | 34.1 | Very low | 167 Ų | 167 | 147.7 Ų | 147.7 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -150.2 | 102 | 146.3 | -75 | -174 | 0 | 0 | 0 | 108.9 | ||||
| 88 | S | 32.4 | Very low | 34.2 | Very low | 111 Ų | 111 | 148.2 Ų | 148.2 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -85.3 | 137.9 | 154.8 | 176.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 89 | D | 27.7 | Very low | 34 | Very low | 152 Ų | 152 | 151.4 Ų | 151.4 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -157.9 | 142.8 | 146.3 | -149.4 | 4 | 0 | 0 | 0 | 112.5 | ||||
| 90 | S | 33.5 | Very low | 33.6 | Very low | 90 Ų | 90 | 156.2 Ų | 156.2 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | trans | -95.8 | -174.3 | -175 | -78.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 91 | E | 30.3 | Very low | 33.5 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 83.2 | 144 | 154.2 | -41.6 | -164.7 | 133.3 | 0 | 0 | 115.1 | ||||
| 92 | E | 31.8 | Very low | 33.3 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | cis | -174.6 | 151.8 | -6.6 | 167.4 | 169.8 | 91.6 | 0 | 0 | 104.9 | ||||
| 93 | E | 38 | Very low | 33 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | trans | -58.7 | 160.1 | 174.7 | -77 | -95.2 | 114.4 | 0 | 0 | 113.2 | ||||
| 94 | P | 36.4 | Very low | 33 | Very low | 123 Ų | 123 | 148.6 Ų | 148.6 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | -135.2 | 137.7 | 129.5 | 29.5 | -14.4 | 0 | 0 | 0 | 115.4 | |||||
| 95 | E | 33.3 | Very low | 32.8 | Very low | 173 Ų | 173 | 150.5 Ų | 150.5 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -53.9 | 166.6 | 171.2 | -85.3 | -106.1 | 136 | 0 | 0 | 116.5 | ||||
| 96 | P | 39.9 | Very low | 32.5 | Very low | 110 Ų | 110 | 151.4 Ų | 151.4 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | trans | -92.4 | 139 | -166.1 | 35.4 | -31.6 | 0 | 0 | 0 | 114.7 | ||||
| 97 | G | 29.4 | Very low | 32.5 | Very low | 82 Ų | 82 | 150.8 Ų | 150.8 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -113.3 | 99.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 98 | R | 29.5 | Very low | 32.5 | Very low | 228 Ų | 228 | 151.5 Ų | 151.5 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -15.3 | 143.1 | 161.3 | -65.1 | 173.1 | 172.1 | -150.8 | -2.5 | 119.2 | ||||
| 99 | F | 29.4 | Very low | 32.4 | Very low | 198 Ų | 198 | 150 Ų | 150 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | -177.6 | 95.3 | 117.7 | -99.2 | -75.1 | 0 | 0 | 0 | 108.9 | |||||
| 100 | R | 29.9 | Very low | 32.7 | Very low | 223 Ų | 223 | 152.2 Ų | 152.2 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | 72.7 | 110.3 | 96.6 | -147.5 | -168.8 | -179.6 | -172.2 | -0.7 | 116.1 | |||||
| 101 | S | 31.6 | Very low | 32.9 | Very low | 98 Ų | 98 | 153 Ų | 153 | 69% | 0.685 | 82% | 0.817 | S | S | * | * | trans | 70 | 113.1 | 144.5 | 52 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 102 | K | 31.2 | Very low | 32.9 | Very low | 203 Ų | 203 | 148 Ų | 148 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | 14.2 | 152.4 | 127.1 | -62.2 | -176.6 | 179.5 | -179.3 | 0 | 118.2 | |||||
| 103 | P | 38.8 | Very low | 33.2 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | cis | -144.1 | -169.4 | 31.2 | 37.2 | -13.7 | 0 | 0 | 0 | 116 | ||||
| 104 | A | 31.6 | Very low | 33.7 | Very low | 85 Ų | 85 | 143.9 Ų | 143.9 | 70% | 0.702 | 82% | 0.818 | S | S | * | * | trans | -82.6 | 172.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 105 | E | 29.6 | Very low | 34 | Very low | 167 Ų | 167 | 143.2 Ų | 143.2 | 78% | 0.78 | 82% | 0.817 | S | S | * | * | trans | 70.1 | 112.2 | 160.4 | -76.4 | 177.7 | 103 | 0 | 0 | 118.7 | ||||
| 106 | N | 31 | Very low | 35.1 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | -173.7 | 156.3 | 88.6 | -114 | -31.2 | 0 | 0 | 0 | 113.8 | |||||
| 107 | Q | 33 | Very low | 36.1 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | trans | -74.1 | 155.4 | -170.9 | -57.4 | 164.5 | 35.7 | 0 | 0 | 113.9 | ||||
| 108 | L | 33.8 | Very low | 37.3 | Very low | 181 Ų | 181 | 142 Ų | 142 | 95% | 0.948 | 81% | 0.809 | S | S | * | * | trans | 142.5 | 135.1 | 134.4 | -80.5 | 151.8 | 0 | 0 | 0 | 112.6 | ||||
| 109 | G | 31.3 | Very low | 38.4 | Very low | 80 Ų | 80 | 137.1 Ų | 137.1 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | 131.8 | 85.4 | 149 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 110 | H | 32.6 | Very low | 39.4 | Very low | 199 Ų | 199 | 136.6 Ų | 136.6 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -31.2 | 136.3 | 160.2 | -102.4 | 50.6 | 0 | 0 | 0 | 118.5 | ||||
| 111 | A | 39.2 | Very low | 40.6 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | 159.7 | 125 | 125.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 112 | G | 30.5 | Very low | 41.3 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | cis | 145.3 | 89.3 | 19.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 113 | C | 37.9 | Very low | 42.4 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -138 | 103.5 | 160.1 | -83.5 | 0 | 0 | 0 | 0 | 106.2 | S115 | C113-S115 PolarHBondContact O-N 3.39Å; C113-S115 VanDerWaalsContact O-N 3.13Å | ||
| 114 | P | 48.6 | Very low | 43.3 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -73.8 | 108.9 | -179.6 | 28.9 | -30.5 | 0 | 0 | 0 | 108.6 | ||||
| 115 | S | 42.6 | Very low | 44.5 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66 | 136.5 | 161.9 | -65.2 | 0 | 0 | 0 | 0 | 108.3 | C113 | C113-S115 PolarHBondContact O-N 3.39Å; C113-S115 VanDerWaalsContact O-N 3.13Å |
| 116 | P | 54.9 | Low | 46.1 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 146.1 | -177.1 | 25.1 | -33.3 | 0 | 0 | 0 | 110.7 | ||
| 117 | P | 61.1 | Low | 48.1 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 146.9 | 175.6 | 25.5 | -32.9 | 0 | 0 | 0 | 110.2 | ||
| 118 | P | 55.6 | Low | 49.9 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 143.5 | 176.6 | 24.3 | -32.6 | 0 | 0 | 0 | 109.7 | E120 | P118-E120 PolarHBondContact O-N 3.05Š|
| 119 | P | 52.6 | Low | 51.8 | Low | 124 Ų | 124 | 123 Ų | 123 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 127.4 | -178.1 | 22.6 | -32.1 | 0 | 0 | 0 | 109.5 | S121 | P119-S121 PolarHBondContact O-N 3.28Š|
| 120 | E | 49.8 | Very low | 54 | Low | 187 Ų | 187 | 120.9 Ų | 120.9 | 87% | 0.874 | 73% | 0.726 | S | S | * | * | trans | -54.3 | 109.7 | 172 | -69.6 | -173 | 138.2 | 0 | 0 | 107.9 | P118 | P118-E120 PolarHBondContact O-N 3.05Š| ||
| 121 | S | 55.1 | Low | 56.3 | Low | 96 Ų | 96 | 119.7 Ų | 119.7 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | trans | -50 | 130.8 | 169.2 | 51.6 | 0 | 0 | 0 | 0 | 107.6 | P119 V123 | P119-S121 PolarHBondContact O-N 3.28Å; S121-V123 PolarHBondContact O-N 3.04Å | ||
| 122 | P | 47.5 | Very low | 58.4 | Low | 114 Ų | 114 | 123.1 Ų | 123.1 | 74% | 0.74 | 70% | 0.704 | S | S | * | * | trans | -54.9 | 122.1 | -174 | 21.4 | -31.4 | 0 | 0 | 0 | 108 | Q124 | P122-Q124 PolarHBondContact O-N 2.93Š| ||
| 123 | V | 54.3 | Low | 61.2 | Low | 130 Ų | 130 | 126.5 Ų | 126.5 | 79% | 0.788 | 70% | 0.697 | S | S | * | * | trans | -53.9 | 95.8 | 175.4 | 175.7 | 0 | 0 | 0 | 0 | 106.7 | S121 K125 | S121-V123 PolarHBondContact O-N 3.04Å; V123-K125 VanDerWaalsContact C-N 3.3Å; V123-K125 PolarHBondContact O-N 2.69Å | ||
| 124 | Q | 56.3 | Low | 63.5 | Low | 147 Ų | 147 | 124.6 Ų | 124.6 | 69% | 0.687 | 68% | 0.678 | S | S | * | * | trans | -64 | 100.5 | 175.3 | -86.3 | -174 | -11.4 | 0 | 0 | 105.1 | P122 Q126 | P122-Q124 PolarHBondContact O-N 2.93Å; Q124-Q126 HydrophobicContact CB-CG 4.45Å; Q124-Q126 PolarHBondContact O-N 2.82Å; Q124-Q126 VanDerWaalsContact OE1-NE2 3.12Å | ||
| 125 | K | 58.2 | Low | 65.2 | Low | 198 Ų | 198 | 121.3 Ų | 121.3 | 86% | 0.861 | 66% | 0.659 | S | S | * | * | trans | -61.9 | 82.1 | 161.1 | -72.9 | -177.4 | -179.9 | 176.6 | 0 | 106.3 | V123 S127 | V123-K125 VanDerWaalsContact C-N 3.3Å; V123-K125 PolarHBondContact O-N 2.69Å; K125-S127 PolarHBondContact O-N 3.36Å | ||
| 126 | Q | 62.1 | Low | 67.5 | Low | 97 Ų | 97 | 121.4 Ų | 121.4 | 45% | 0.453 | 65% | 0.647 | S | S | . | * | trans | -54 | 109.4 | 175.1 | -74.6 | -90.5 | -26.3 | 0 | 0 | 106.2 | Q124 S128 R131 | Q124-Q126 HydrophobicContact CB-CG 4.45Å; Q124-Q126 PolarHBondContact O-N 2.82Å; Q124-Q126 VanDerWaalsContact OE1-NE2 3.12Å; Q126-S128 PolarHBondContact O-N 2.97Å; Q126-R131 HydrophobicContact CB-CG 4.06Å | ||
| 127 | S | 73.5 | Confident | 69.2 | Low | 67 Ų | 67 | 120.8 Ų | 120.8 | 47% | 0.469 | 64% | 0.637 | S | S | . | * | trans | -45.8 | 130.3 | -179.6 | 165.1 | 0 | 0 | 0 | 0 | 109.2 | K125 K129 A130 R131 | K125-S127 PolarHBondContact O-N 3.36Å; S127-K129 PolarHBondContact O-N 3.32Å; S127-K129 PolarHBondContact OG-N 3.24Å; S127-A130 WeakPolarHBondContact O-CA 3.4Å; S127-A130 WeakPolarHBondContact O-CB 3.37Å; S127-A130 PolarHBondContact O-N 3.39Å; S127-R131 PolarHBondContact O-N 3.41Å | ||
| 128 | S | 70.1 | Confident | 70.4 | Confident | 99 Ų | 99 | 119.3 Ų | 119.3 | 69% | 0.692 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -54 | -29.8 | 178.4 | 57.6 | 0 | 0 | 0 | 0 | 111.7 | Q126 R132 | Q126-S128 PolarHBondContact O-N 2.97Å; S128-R132 WeakPolarHBondContact O-CB 3.26Å; S128-R132 PolarHBondContact O-N 3.12Å |
| 129 | K | 73.3 | Confident | 72.1 | Confident | 163 Ų | 163 | 121.8 Ų | 121.8 | 71% | 0.709 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.6 | -40.7 | 172 | -69 | -177.4 | 176 | 178.5 | 0 | 112.7 | S127 R132 K133 | S127-K129 PolarHBondContact O-N 3.32Å; S127-K129 PolarHBondContact OG-N 3.24Å; K129-R132 PolarHBondContact O-N 2.92Å; K129-K133 WeakPolarHBondContact O-CG 3.22Å; K129-K133 PolarHBondContact O-N 2.92Å |
| 130 | A | 77.8 | Confident | 73.8 | Confident | 36 Ų | 36 | 123.7 Ų | 123.7 | 30% | 0.298 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.1 | -45.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | S127 R132 K133 I134 | S127-A130 WeakPolarHBondContact O-CA 3.4Å; S127-A130 WeakPolarHBondContact O-CB 3.37Å; S127-A130 PolarHBondContact O-N 3.39Å; A130-R132 VanDerWaalsContact C-N 3.29Å; A130-R132 PolarHBondContact O-N 3.23Å; A130-K133 PolarHBondContact O-N 2.86Å; A130-I134 WeakPolarHBondContact O-CB 3.45Å; A130-I134 WeakPolarHBondContact O-CD1 3.36Å; A130-I134 VanDerWaalsContact O-CG1 3.22Å; A130-I134 WeakPolarHBondContact O-CG1 3.3Å; A130-I134 PolarHBondContact O-N 3Å |
| 131 | R | 80.4 | Confident | 75.5 | Confident | 174 Ų | 174 | 119.7 Ų | 119.7 | 66% | 0.657 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.1 | -39 | 175.3 | -68.7 | -177.6 | 71.1 | -171.5 | 2.9 | 112.1 | Q126 S127 S135 | Q126-R131 HydrophobicContact CB-CG 4.06Å; S127-R131 PolarHBondContact O-N 3.41Å; R131-S135 VanDerWaalsContact O-CB 3.3Å; R131-S135 WeakPolarHBondContact O-CB 3.48Å; R131-S135 PolarHBondContact O-N 2.84Å; R131-S135 PolarHBondContact O-OG 3.21Å |
| 132 | R | 84.3 | Confident | 76.9 | Confident | 178 Ų | 178 | 124.1 Ų | 124.1 | 67% | 0.672 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.2 | -45.3 | 176.5 | -164 | 173.2 | 179.3 | -178.1 | 0.2 | 111.7 | S128 K129 A130 S135 E136 | S128-R132 WeakPolarHBondContact O-CB 3.26Å; S128-R132 PolarHBondContact O-N 3.12Å; K129-R132 PolarHBondContact O-N 2.92Å; A130-R132 VanDerWaalsContact C-N 3.29Å; A130-R132 PolarHBondContact O-N 3.23Å; R132-S135 WeakPolarHBondContact CA-OG 3.47Å; R132-S135 PolarHBondContact O-N 2.68Å; R132-S135 PolarHBondContact O-OG 3.34Å; R132-E136 PolarHBondContact O-N 2.92Å |
| 133 | K | 88.4 | Confident | 78.4 | Confident | 144 Ų | 144 | 121.4 Ų | 121.4 | 63% | 0.626 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.1 | -44.7 | 175.1 | -74.5 | -167.6 | 175.1 | -167.9 | 0 | 112.5 | K129 A130 S135 E136 I137 | K129-K133 WeakPolarHBondContact O-CG 3.22Å; K129-K133 PolarHBondContact O-N 2.92Å; A130-K133 PolarHBondContact O-N 2.86Å; K133-S135 VanDerWaalsContact C-N 3.27Å; K133-S135 PolarHBondContact O-N 3.32Å; K133-E136 PolarHBondContact O-N 3.2Å; K133-I137 VanDerWaalsContact O-CG1 3.26Å; K133-I137 WeakPolarHBondContact O-CG1 3.35Å; K133-I137 PolarHBondContact O-N 2.69Å |
| 134 | I | 87 | Confident | 79.5 | Confident | 80 Ų | 80 | 119.2 Ų | 119.2 | 41% | 0.41 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.2 | -39.5 | 175.7 | -66.1 | 162.8 | 0 | 0 | 0 | 110.1 | A130 I137 N138 | A130-I134 WeakPolarHBondContact O-CB 3.45Å; A130-I134 WeakPolarHBondContact O-CD1 3.36Å; A130-I134 VanDerWaalsContact O-CG1 3.22Å; A130-I134 WeakPolarHBondContact O-CG1 3.3Å; A130-I134 PolarHBondContact O-N 3Å; I134-I137 PolarHBondContact O-N 3.49Å; I134-N138 VanDerWaalsContact O-CB 3.29Å; I134-N138 WeakPolarHBondContact O-CB 3.33Å; I134-N138 VanDerWaalsContact O-CG 3.3Å; I134-N138 PolarHBondContact O-N 2.88Å; I134-N138 PolarHBondContact O-ND2 3.07Å |
| 135 | S | 85.1 | Confident | 80.3 | Confident | 65 Ų | 65 | 115.1 Ų | 115.1 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.5 | -36.2 | 177.1 | 73.5 | 0 | 0 | 0 | 0 | 113.4 | R131 R132 K133 K139 | R131-S135 VanDerWaalsContact O-CB 3.3Å; R131-S135 WeakPolarHBondContact O-CB 3.48Å; R131-S135 PolarHBondContact O-N 2.84Å; R131-S135 PolarHBondContact O-OG 3.21Å; R132-S135 WeakPolarHBondContact CA-OG 3.47Å; R132-S135 PolarHBondContact O-N 2.68Å; R132-S135 PolarHBondContact O-OG 3.34Å; K133-S135 VanDerWaalsContact C-N 3.27Å; K133-S135 PolarHBondContact O-N 3.32Å; S135-K139 WeakPolarHBondContact O-CB 3.42Å; S135-K139 PolarHBondContact O-N 2.8Å |
| 136 | E | 90.6 | Very high | 80.9 | Confident | 111 Ų | 111 | 109.1 Ų | 109.1 | 52% | 0.519 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.7 | -42.6 | 173.9 | -82.9 | 176 | 174.8 | 0 | 0 | 111.6 | R132 K133 K139 K140 | R132-E136 PolarHBondContact O-N 2.92Å; K133-E136 PolarHBondContact O-N 3.2Å; E136-K139 PolarHBondContact O-N 3.28Å; E136-K140 PolarHBondContact O-N 3.3Å |
| 137 | I | 90.8 | Very high | 81.2 | Confident | 98 Ų | 98 | 110.5 Ų | 110.5 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.2 | -47.6 | 175.4 | -66.5 | 164.2 | 0 | 0 | 0 | 109.8 | K133 I134 K139 K140 L141 | K133-I137 VanDerWaalsContact O-CG1 3.26Å; K133-I137 WeakPolarHBondContact O-CG1 3.35Å; K133-I137 PolarHBondContact O-N 2.69Å; I134-I137 PolarHBondContact O-N 3.49Å; I137-K139 VanDerWaalsContact C-N 3.26Å; I137-K139 PolarHBondContact O-N 3.1Å; I137-K140 PolarHBondContact O-N 3.26Å; I137-K140 VanDerWaalsContact O-N 3.1Å; I137-L141 HydrophobicContact CG2-CD1 3.9Å; I137-L141 HydrophobicContact CG2-CG 4.21Å; I137-L141 WeakPolarHBondContact O-CG 3.44Å; I137-L141 PolarHBondContact O-N 3.45Å |
| 138 | N | 86.5 | Confident | 80.8 | Confident | 84 Ų | 84 | 113.9 Ų | 113.9 | 45% | 0.449 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.3 | -32.3 | 176.4 | -78.3 | -21.2 | 0 | 0 | 0 | 112.7 | I134 R142 | I134-N138 VanDerWaalsContact O-CB 3.29Å; I134-N138 WeakPolarHBondContact O-CB 3.33Å; I134-N138 VanDerWaalsContact O-CG 3.3Å; I134-N138 PolarHBondContact O-N 2.88Å; I134-N138 PolarHBondContact O-ND2 3.07Å; N138-R142 WeakPolarHBondContact O-CB 3.29Å; N138-R142 PolarHBondContact O-N 2.95Å |
| 139 | K | 89.6 | Confident | 79.9 | Confident | 165 Ų | 165 | 112.8 Ų | 112.8 | 72% | 0.717 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.4 | -42 | 173.4 | -170.9 | 179.1 | 178.6 | -175.5 | 0 | 111.3 | S135 E136 I137 R142 A143 | S135-K139 WeakPolarHBondContact O-CB 3.42Å; S135-K139 PolarHBondContact O-N 2.8Å; E136-K139 PolarHBondContact O-N 3.28Å; I137-K139 VanDerWaalsContact C-N 3.26Å; I137-K139 PolarHBondContact O-N 3.1Å; K139-R142 PolarHBondContact O-N 2.93Å; K139-A143 PolarHBondContact O-N 2.95Å |
| 140 | K | 88.4 | Confident | 78.9 | Confident | 164 Ų | 164 | 111.1 Ų | 111.1 | 71% | 0.713 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.1 | -44.1 | 173.9 | -79.1 | -173.3 | 172.8 | -170.2 | 0 | 112 | E136 I137 R142 A143 V144 | E136-K140 PolarHBondContact O-N 3.3Å; I137-K140 PolarHBondContact O-N 3.26Å; I137-K140 VanDerWaalsContact O-N 3.1Å; K140-R142 VanDerWaalsContact C-N 3.31Å; K140-R142 PolarHBondContact O-N 2.91Å; K140-A143 WeakPolarHBondContact O-CB 3.43Å; K140-A143 PolarHBondContact O-N 2.84Å; K140-A143 VanDerWaalsContact O-N 3.12Å; K140-V144 WeakPolarHBondContact O-CG2 3.42Å; K140-V144 PolarHBondContact O-N 2.84Å |
| 141 | L | 87.1 | Confident | 77.2 | Confident | 103 Ų | 103 | 117.7 Ų | 117.7 | 54% | 0.539 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.5 | -38.6 | 176.8 | -69.4 | 175.4 | 0 | 0 | 0 | 111.6 | I137 A143 V144 S145 | I137-L141 HydrophobicContact CG2-CD1 3.9Å; I137-L141 HydrophobicContact CG2-CG 4.21Å; I137-L141 WeakPolarHBondContact O-CG 3.44Å; I137-L141 PolarHBondContact O-N 3.45Å; L141-A143 VanDerWaalsContact C-N 3.35Å; L141-V144 PolarHBondContact O-N 3.42Å; L141-S145 PolarHBondContact O-N 3.43Å; L141-S145 PolarHBondContact O-OG 2.82Å |
| 142 | R | 82.7 | Confident | 75.4 | Confident | 189 Ų | 189 | 114.6 Ų | 114.6 | 71% | 0.713 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.7 | -34.9 | 172.7 | -84.2 | -156 | -86.8 | -156.3 | -4.4 | 113.7 | N138 K139 K140 S145 A146 | N138-R142 WeakPolarHBondContact O-CB 3.29Å; N138-R142 PolarHBondContact O-N 2.95Å; K139-R142 PolarHBondContact O-N 2.93Å; K140-R142 VanDerWaalsContact C-N 3.31Å; K140-R142 PolarHBondContact O-N 2.91Å; R142-S145 WeakPolarHBondContact CA-OG 3.36Å; R142-S145 PolarHBondContact O-OG 3.3Å; R142-A146 WeakPolarHBondContact O-CB 3.46Å; R142-A146 PolarHBondContact O-N 3.42Å; R142-A146 VanDerWaalsContact O-N 3.07Å |
| 143 | A | 80.1 | Confident | 73.6 | Confident | 58 Ų | 58 | 112 Ų | 112 | 48% | 0.479 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.5 | -41.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K139 K140 L141 A146 V147 | K139-A143 PolarHBondContact O-N 2.95Å; K140-A143 WeakPolarHBondContact O-CB 3.43Å; K140-A143 PolarHBondContact O-N 2.84Å; K140-A143 VanDerWaalsContact O-N 3.12Å; L141-A143 VanDerWaalsContact C-N 3.35Å; A143-A146 PolarHBondContact O-N 3.12Å; A143-V147 WeakPolarHBondContact O-CG2 3.27Å; A143-V147 PolarHBondContact O-N 3.45Å |
| 144 | V | 77.3 | Confident | 71.1 | Confident | 83 Ų | 83 | 112.4 Ų | 112.4 | 50% | 0.503 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66 | -41.9 | 175.6 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | K140 L141 A146 V147 L148 | K140-V144 WeakPolarHBondContact O-CG2 3.42Å; K140-V144 PolarHBondContact O-N 2.84Å; L141-V144 PolarHBondContact O-N 3.42Å; V144-A146 VanDerWaalsContact C-N 3.26Å; V144-A146 PolarHBondContact O-N 3.07Å; V144-V147 PolarHBondContact O-N 2.97Å; V144-V147 VanDerWaalsContact O-N 3.13Å; V144-L148 HydrophobicContact CG1-CD1 3.89Å; V144-L148 WeakPolarHBondContact O-CG 3.43Å; V144-L148 PolarHBondContact O-N 2.92Å; V144-L148 VanDerWaalsContact O-N 3.15Å |
| 145 | S | 73.6 | Confident | 68.6 | Low | 62 Ų | 62 | 115.7 Ų | 115.7 | 43% | 0.434 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.8 | -31.2 | 176.7 | 67.3 | 0 | 0 | 0 | 0 | 112.6 | L141 R142 V147 L148 S149 | L141-S145 PolarHBondContact O-N 3.43Å; L141-S145 PolarHBondContact O-OG 2.82Å; R142-S145 WeakPolarHBondContact CA-OG 3.36Å; R142-S145 PolarHBondContact O-OG 3.3Å; S145-V147 VanDerWaalsContact C-N 3.3Å; S145-V147 PolarHBondContact O-N 3.13Å; S145-L148 PolarHBondContact O-N 2.84Å; S145-S149 VanDerWaalsContact O-CB 3.27Å; S145-S149 WeakPolarHBondContact O-CB 3.48Å; S145-S149 PolarHBondContact O-N 2.8Å; S145-S149 VanDerWaalsContact O-N 3.09Å |
| 146 | A | 70.2 | Confident | 66.5 | Low | 72 Ų | 72 | 123.1 Ų | 123.1 | 60% | 0.595 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.6 | -26.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | R142 A143 V144 | R142-A146 WeakPolarHBondContact O-CB 3.46Å; R142-A146 PolarHBondContact O-N 3.42Å; R142-A146 VanDerWaalsContact O-N 3.07Å; A143-A146 PolarHBondContact O-N 3.12Å; V144-A146 VanDerWaalsContact C-N 3.26Å; V144-A146 PolarHBondContact O-N 3.07Å |
| 147 | V | 69.1 | Low | 63.9 | Low | 126 Ų | 126 | 124.8 Ų | 124.8 | 76% | 0.764 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -81.6 | -28.2 | 174.8 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | A143 V144 S145 | A143-V147 WeakPolarHBondContact O-CG2 3.27Å; A143-V147 PolarHBondContact O-N 3.45Å; V144-V147 PolarHBondContact O-N 2.97Å; V144-V147 VanDerWaalsContact O-N 3.13Å; S145-V147 VanDerWaalsContact C-N 3.3Å; S145-V147 PolarHBondContact O-N 3.13Å |
| 148 | L | 65.6 | Low | 61.6 | Low | 137 Ų | 137 | 125.1 Ų | 125.1 | 72% | 0.717 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -90.2 | -10 | -179 | -66.7 | 172.4 | 0 | 0 | 0 | 114.2 | V144 S145 | V144-L148 HydrophobicContact CG1-CD1 3.89Å; V144-L148 WeakPolarHBondContact O-CG 3.43Å; V144-L148 PolarHBondContact O-N 2.92Å; V144-L148 VanDerWaalsContact O-N 3.15Å; S145-L148 PolarHBondContact O-N 2.84Å |
| 149 | S | 51.2 | Low | 59.3 | Low | 76 Ų | 76 | 132.8 Ų | 132.8 | 53% | 0.531 | 70% | 0.703 | S | S | . | * | trans | -112 | 104.8 | -177.4 | -156.5 | 0 | 0 | 0 | 0 | 110.2 | S145 E151 | S145-S149 VanDerWaalsContact O-CB 3.27Å; S145-S149 WeakPolarHBondContact O-CB 3.48Å; S145-S149 PolarHBondContact O-N 2.8Å; S145-S149 VanDerWaalsContact O-N 3.09Å; S149-E151 PolarHBondContact O-N 3.5Å; S149-E151 VanDerWaalsContact O-N 3.13Å | ||
| 150 | P | 50.8 | Low | 56.8 | Low | 129 Ų | 129 | 135.1 Ų | 135.1 | 84% | 0.838 | 71% | 0.707 | S | S | * | * | trans | -79.8 | 94.5 | 174.5 | 30.9 | -28.7 | 0 | 0 | 0 | 108.5 | ||||
| 151 | E | 43.5 | Very low | 54.4 | Low | 174 Ų | 174 | 137.6 Ų | 137.6 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | trans | -94.6 | 131.3 | 166.8 | -158.7 | 173.3 | 146.3 | 0 | 0 | 109.3 | S149 | S149-E151 PolarHBondContact O-N 3.5Å; S149-E151 VanDerWaalsContact O-N 3.13Å | ||
| 152 | P | 42.3 | Very low | 52 | Low | 108 Ų | 108 | 139.9 Ų | 139.9 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | trans | -71.3 | 156.4 | -173.8 | 27.8 | -33.6 | 0 | 0 | 0 | 112.7 | D154 | P152-D154 PolarHBondContact O-N 3.13Š| ||
| 153 | P | 46.6 | Very low | 49.7 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | trans | -85.6 | 106.6 | -169.9 | 32.7 | -31.3 | 0 | 0 | 0 | 111.6 | ||||
| 154 | D | 34.3 | Very low | 47.6 | Very low | 152 Ų | 152 | 149.6 Ų | 149.6 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -102.6 | 105 | 162.4 | -95.4 | -31.3 | 0 | 0 | 0 | 112.6 | P152 | P152-D154 PolarHBondContact O-N 3.13Š| ||
| 155 | Q | 35.6 | Very low | 45.7 | Very low | 149 Ų | 149 | 152.3 Ų | 152.3 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | trans | 26.4 | 117.3 | 140.8 | -62.5 | -174.2 | 27.3 | 0 | 0 | 120 | ||||
| 156 | R | 40.2 | Very low | 44 | Very low | 222 Ų | 222 | 158.2 Ų | 158.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | 62.7 | 103.8 | 128.2 | -62.5 | 177.6 | 170.8 | -168.6 | -1.4 | 117 | |||||
| 157 | T | 36.3 | Very low | 42.8 | Very low | 145 Ų | 145 | 166.7 Ų | 166.7 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | -131.1 | 107.7 | 128.8 | 51.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 158 | S | 41.9 | Very low | 41.3 | Very low | 105 Ų | 105 | 165.9 Ų | 165.9 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -67.1 | 132.1 | 161 | 67.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 159 | R | 38.7 | Very low | 40.2 | Very low | 245 Ų | 245 | 165.4 Ų | 165.4 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -171.3 | 97.8 | 143.3 | -99.9 | 157.3 | -163.5 | -158.7 | 7.8 | 111.2 | ||||
| 160 | R | 38.4 | Very low | 40 | Very low | 215 Ų | 215 | 167.8 Ų | 167.8 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | 36.1 | 115.1 | 131.4 | -94.2 | -178.7 | 173.3 | -176 | -0.4 | 118.5 | ||||
| 161 | R | 37.3 | Very low | 39.9 | Very low | 216 Ų | 216 | 167.2 Ų | 167.2 | 82% | 0.815 | 80% | 0.804 | S | S | * | * | 156.6 | 117 | 94.9 | -100.3 | 169.8 | 176.7 | 179 | -0.5 | 112.9 | |||||
| 162 | N | 35.6 | Very low | 40.1 | Very low | 150 Ų | 150 | 165.5 Ų | 165.5 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | 63.5 | 114.5 | 124 | -136.8 | 18.5 | 0 | 0 | 0 | 120.9 | |||||
| 163 | R | 35.7 | Very low | 40.6 | Very low | 225 Ų | 225 | 167.8 Ų | 167.8 | 85% | 0.849 | 81% | 0.807 | S | S | * | * | trans | 155.2 | 107.5 | 130.6 | -88.6 | 173.4 | 174.2 | -177 | -1 | 109.5 | ||||
| 164 | R | 36.4 | Very low | 41.1 | Very low | 226 Ų | 226 | 165.2 Ų | 165.2 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | 85 | 111.1 | 88.8 | -163 | 177.7 | -164.4 | 171.1 | 4.5 | 112.2 | |||||
| 165 | N | 37.5 | Very low | 42.2 | Very low | 140 Ų | 140 | 165.4 Ų | 165.4 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | 46.4 | 121.5 | 160.5 | -75.7 | 7.8 | 0 | 0 | 0 | 119.1 | ||||
| 166 | Q | 36.8 | Very low | 43.5 | Very low | 186 Ų | 186 | 165.1 Ų | 165.1 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | -165.6 | 135 | 112.5 | -102.6 | 161.8 | 99.2 | 0 | 0 | 112 | |||||
| 167 | R | 44.7 | Very low | 44.7 | Very low | 251 Ų | 251 | 160.2 Ų | 160.2 | 95% | 0.947 | 79% | 0.791 | S | S | * | * | trans | -73.5 | 132.6 | 163.9 | -76.8 | 175.4 | 166.8 | -160.2 | -4.2 | 108.6 | ||||
| 168 | S | 38.8 | Very low | 46.1 | Very low | 108 Ų | 108 | 160.2 Ų | 160.2 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 164.6 | 136.1 | 163.1 | 43.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 169 | D | 41.6 | Very low | 46.9 | Very low | 128 Ų | 128 | 161.5 Ų | 161.5 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | cis | -179.6 | 130.9 | -0.4 | -171.5 | 4.2 | 0 | 0 | 0 | 101.5 | T171 | D169-T171 PolarHBondContact O-N 3.33Å; D169-T171 VanDerWaalsContact O-N 3.12Å | ||
| 170 | P | 47.3 | Very low | 47.7 | Very low | 125 Ų | 125 | 157.9 Ų | 157.9 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -89.8 | 80.3 | -175.5 | 34.8 | -27.6 | 0 | 0 | 0 | 109.4 | ||||
| 171 | T | 47.8 | Very low | 48.5 | Very low | 117 Ų | 117 | 151.5 Ų | 151.5 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -127 | 62.9 | 158.2 | 46.3 | 0 | 0 | 0 | 0 | 108.1 | D169 D173 | D169-T171 PolarHBondContact O-N 3.33Å; D169-T171 VanDerWaalsContact O-N 3.12Å; T171-D173 VanDerWaalsContact C-N 3.32Å; T171-D173 PolarHBondContact O-N 3.35Å | ||
| 172 | D | 47.7 | Very low | 49.4 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -83.5 | 87.8 | 160.7 | -164.5 | 44.6 | 0 | 0 | 0 | 105.7 | S174 | D172-S174 PolarHBondContact O-N 3.33Å; D172-S174 PolarHBondContact O-OG 3.07Å; D172-S174 PolarHBondContact OD2-OG 3.09Å | ||
| 173 | D | 54.2 | Low | 50.2 | Low | 155 Ų | 155 | 143.7 Ų | 143.7 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | trans | -65.7 | 84.5 | 158.7 | -98.2 | -42.6 | 0 | 0 | 0 | 105.7 | T171 D175 | T171-D173 VanDerWaalsContact C-N 3.32Å; T171-D173 PolarHBondContact O-N 3.35Å; D173-D175 PolarHBondContact O-N 3.49Å; D173-D175 VanDerWaalsContact O-N 3.07Å | ||
| 174 | S | 56 | Low | 51.3 | Low | 71 Ų | 71 | 141.2 Ų | 141.2 | 50% | 0.497 | 76% | 0.762 | S | S | . | * | trans | -61.5 | 108.1 | 167.3 | -41 | 0 | 0 | 0 | 0 | 106.3 | D172 D176 | D172-S174 PolarHBondContact O-N 3.33Å; D172-S174 PolarHBondContact O-OG 3.07Å; D172-S174 PolarHBondContact OD2-OG 3.09Å; S174-D176 PolarHBondContact O-N 2.95Å | ||
| 175 | D | 58.3 | Low | 52.1 | Low | 156 Ų | 156 | 134 Ų | 134 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | -57.3 | 93.8 | 164 | -82.8 | -43 | 0 | 0 | 0 | 107.2 | D173 V177 | D173-D175 PolarHBondContact O-N 3.49Å; D173-D175 VanDerWaalsContact O-N 3.07Å; D175-V177 VanDerWaalsContact C-N 3.28Å; D175-V177 PolarHBondContact O-N 3.46Å | ||
| 176 | D | 62.4 | Low | 52.8 | Low | 142 Ų | 142 | 130.7 Ų | 130.7 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | -64.2 | 91.8 | 173.8 | -76.1 | -30.2 | 0 | 0 | 0 | 108.2 | S174 I178 | S174-D176 PolarHBondContact O-N 2.95Å; D176-I178 VanDerWaalsContact C-N 3.31Å; D176-I178 PolarHBondContact O-N 2.84Å | ||
| 177 | V | 66.3 | Low | 53.8 | Low | 120 Ų | 120 | 130.3 Ų | 130.3 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -68.9 | 96.3 | 166.5 | -176.8 | 0 | 0 | 0 | 0 | 106.5 | D175 I179 | D175-V177 VanDerWaalsContact C-N 3.28Å; D175-V177 PolarHBondContact O-N 3.46Å; V177-I179 HydrophobicContact CG1-CG1 3.96Å; V177-I179 PolarHBondContact O-N 2.74Å | ||
| 178 | I | 64.8 | Low | 54.8 | Low | 144 Ų | 144 | 121.6 Ų | 121.6 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | trans | -67.3 | 90.4 | 166.4 | -54.3 | 175.9 | 0 | 0 | 0 | 106.4 | D176 M180 | D176-I178 VanDerWaalsContact C-N 3.31Å; D176-I178 PolarHBondContact O-N 2.84Å; I178-M180 HydrophobicContact CG2-CG 4.08Å; I178-M180 PolarHBondContact O-N 2.82Å | ||
| 179 | I | 58.2 | Low | 56.5 | Low | 132 Ų | 132 | 120.2 Ų | 120.2 | 68% | 0.677 | 72% | 0.715 | S | S | * | * | trans | -66.8 | 96.7 | 163 | -57.4 | 175.3 | 0 | 0 | 0 | 104.7 | V177 S181 | V177-I179 HydrophobicContact CG1-CG1 3.96Å; V177-I179 PolarHBondContact O-N 2.74Å; I179-S181 PolarHBondContact O-N 2.8Å | ||
| 180 | M | 56.1 | Low | 58.6 | Low | 169 Ų | 169 | 123.5 Ų | 123.5 | 83% | 0.833 | 72% | 0.718 | S | S | * | * | trans | -67.2 | 79.7 | 161.6 | -65.9 | -177.5 | 76.8 | 0 | 0 | 106.3 | I178 | I178-M180 HydrophobicContact CG2-CG 4.08Å; I178-M180 PolarHBondContact O-N 2.82Å | ||
| 181 | S | 54.9 | Low | 60.7 | Low | 82 Ų | 82 | 123.4 Ų | 123.4 | 57% | 0.573 | 71% | 0.706 | S | S | * | * | trans | -49.2 | 127.6 | 155.5 | -56.2 | 0 | 0 | 0 | 0 | 105.2 | I179 A183 | I179-S181 PolarHBondContact O-N 2.8Å; S181-A183 PolarHBondContact O-N 2.89Å | ||
| 182 | P | 56.7 | Low | 62.8 | Low | 110 Ų | 110 | 119.7 Ų | 119.7 | 71% | 0.714 | 68% | 0.682 | S | S | * | * | trans | -52.6 | 114.9 | 173.2 | 23.8 | -31.1 | 0 | 0 | 0 | 104.9 | D184 | P182-D184 PolarHBondContact O-N 2.77Š| ||
| 183 | A | 52 | Low | 65 | Low | 91 Ų | 91 | 115.2 Ų | 115.2 | 75% | 0.752 | 66% | 0.661 | S | S | * | * | trans | -54.9 | 109.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | S181 G185 | S181-A183 PolarHBondContact O-N 2.89Å; A183-G185 PolarHBondContact O-N 2.87Å | ||
| 184 | D | 59.8 | Low | 67 | Low | 174 Ų | 174 | 107.9 Ų | 107.9 | 93% | 0.93 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | 91.5 | 163.8 | -69.9 | -40.8 | 0 | 0 | 0 | 105.3 | P182 | P182-D184 PolarHBondContact O-N 2.77Š|
| 185 | G | 51.6 | Low | 68.9 | Low | 73 Ų | 73 | 107.4 Ų | 107.4 | 75% | 0.753 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.9 | -4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | A183 | A183-G185 PolarHBondContact O-N 2.87Š|
| 186 | S | 52.8 | Low | 70.7 | Confident | 72 Ų | 72 | 100 Ų | 100 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | trans | -153.2 | 89.2 | 157 | 71.3 | 0 | 0 | 0 | 0 | 109.4 | S188 | S186-S188 PolarHBondContact O-N 2.95Š| ||
| 187 | D | 57.6 | Low | 72.2 | Confident | 177 Ų | 177 | 99.2 Ų | 99.2 | 95% | 0.947 | 56% | 0.557 | S | S | * | * | trans | -68.2 | 28.9 | 163.9 | -122.3 | -3.3 | 0 | 0 | 0 | 111.2 | ||||
| 188 | S | 66.2 | Low | 73.5 | Confident | 69 Ų | 69 | 93.9 Ų | 93.9 | 48% | 0.483 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 122.9 | 169.9 | 57.4 | 0 | 0 | 0 | 0 | 107.1 | S186 R190 | S186-S188 PolarHBondContact O-N 2.95Å; S188-R190 PolarHBondContact O-N 3.24Å; S188-R190 VanDerWaalsContact O-N 3.12Å |
| 189 | P | 75.3 | Confident | 74.6 | Confident | 78 Ų | 78 | 97.3 Ų | 97.3 | 51% | 0.506 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 123 | 177.6 | 20.5 | -30.7 | 0 | 0 | 0 | 109.3 | L208 | P189-L208 HydrophobicContact CB-CD2 3.78Å; P189-L208 HydrophobicContact CG-CD2 3.91Å; P189-L208 WeakPolarHBondContact O-CD2 3.4Å |
| 190 | R | 85.3 | Confident | 76.1 | Confident | 198 Ų | 198 | 96.8 Ų | 96.8 | 75% | 0.747 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -76.6 | 138.3 | 178.1 | -64.9 | -176.6 | -178.7 | -157.4 | 0.3 | 109.2 | S188 | S188-R190 PolarHBondContact O-N 3.24Å; S188-R190 VanDerWaalsContact O-N 3.12Å |
| 191 | E | 91.4 | Very high | 77.8 | Confident | 122 Ų | 122 | 93.1 Ų | 93.1 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 137 | 173 | -65.1 | -178 | 176.9 | 0 | 0 | 110.7 | V207 L208 | E191-V207 CarbonylContact C-O 3.54Å; E191-V207 WeakPolarHBondContact CA-O 3.36Å; E191-L208 HydrophobicContact CG-CD2 3.94Å; E191-L208 HydrophobicContact CG-CG 4.21Å |
| 192 | I | 91.6 | Very high | 79.8 | Confident | 40 Ų | 40 | 93 Ų | 93 | 21% | 0.205 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.3 | -178.3 | -62.3 | 177.2 | 0 | 0 | 0 | 107.5 | L194 V207 P209 I253 | I192-L194 PolarHBondContact O-N 3.15Å; I192-V207 PolarHBondContact N-O 3.37Å; I192-V207 WeakPolarHBondContact O-CG2 3.41Å; I192-V207 PolarHBondContact O-N 2.82Å; I192-P209 HydrophobicContact CD1-CG 4.2Å; I192-I253 HydrophobicContact CG2-CD1 4.49Å; I192-I253 HydrophobicContact CG2-CG1 3.52Å |
| 193 | P | 94.2 | Very high | 81.5 | Confident | 45 Ų | 45 | 89.3 Ų | 89.3 | 29% | 0.292 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 109.4 | 172.9 | 28.9 | -33.1 | 0 | 0 | 0 | 110.7 | L206 I253 | P193-L206 HydrophobicContact CB-CD2 3.88Å; P193-I253 HydrophobicContact CG-CG2 4.29Å |
| 194 | L | 95.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 92.4 Ų | 92.4 | 0% | 0 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.4 | 173.5 | -168.6 | 65.9 | 0 | 0 | 0 | 110 | I192 I196 K204 V205 V207 V216 L251 L257 | I192-L194 PolarHBondContact O-N 3.15Å; L194-I196 HydrophobicContact CB-CD1 4.42Å; L194-I196 HydrophobicContact CD2-CD1 4.29Å; L194-I196 HydrophobicContact CG-CD1 4.24Å; L194-K204 WeakPolarHBondContact O-CA 3.36Å; L194-V205 PolarHBondContact N-O 2.91Å; L194-V205 PolarHBondContact O-N 2.92Å; L194-V207 HydrophobicContact CB-CG2 3.89Å; L194-V207 HydrophobicContact CD2-CG2 4.44Å; L194-V216 HydrophobicContact CD2-CG1 4.44Å; L194-L251 HydrophobicContact CD1-CB 4.04Å; L194-L257 HydrophobicContact CD1-CD1 4.39Å; L194-L257 HydrophobicContact CD1-CG 4.48Å; L194-L257 HydrophobicContact CD2-CD1 3.79Å; L194-L257 HydrophobicContact CG-CD1 4.26Å |
| 195 | K | 96.1 | Very high | 85.2 | Confident | 62 Ų | 62 | 84.5 Ų | 84.5 | 27% | 0.27 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.7 | 177.2 | -64.4 | 167.1 | -172.1 | 144.4 | 0 | 109.1 | V202 K204 I253 I256 L257 | K195-V202 HydrophobicContact CB-CG1 4.15Å; K195-K204 HydrophobicContact CG-CG 4.41Å; K195-I253 PolarHBondContact NZ-O 3.29Å; K195-I256 HydrophobicContact CB-CG1 4.24Å; K195-I256 HydrophobicContact CD-CG1 4.08Å; K195-L257 PolarHBondContact O-N 3.13Å |
| 196 | I | 95.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 118.1 | 175 | -55.6 | 104.7 | 0 | 0 | 0 | 108.4 | L194 V202 H203 V205 V216 L220 L233 L257 C259 | L194-I196 HydrophobicContact CB-CD1 4.42Å; L194-I196 HydrophobicContact CD2-CD1 4.29Å; L194-I196 HydrophobicContact CG-CD1 4.24Å; I196-V202 CarbonylContact O-C 3.56Å; I196-V202 WeakPolarHBondContact O-CA 3.48Å; I196-H203 PolarHBondContact N-O 3.42Å; I196-H203 PolarHBondContact O-N 3.39Å; I196-V205 HydrophobicContact CD1-CB 3.99Å; I196-V205 HydrophobicContact CD1-CG2 3.64Å; I196-V216 HydrophobicContact CD1-CG1 3.97Å; I196-L220 HydrophobicContact CB-CD1 4.21Å; I196-L220 HydrophobicContact CB-CD2 4.27Å; I196-L220 HydrophobicContact CD1-CD1 4.2Å; I196-L220 HydrophobicContact CD1-CD2 4.33Å; I196-L220 HydrophobicContact CG1-CD1 4.08Å; I196-L220 HydrophobicContact CG2-CD1 3.8Å; I196-L220 HydrophobicContact CG2-CD2 4.34Å; I196-L233 HydrophobicContact CG2-CD2 3.81Å; I196-L257 CarbonylContact C-O 3.55Å; I196-L257 WeakPolarHBondContact CA-O 3.27Å; I196-L257 HydrophobicContact CG1-CB 4.25Å; I196-L257 HydrophobicContact CG1-CD1 4.46Å; I196-L257 HydrophobicContact CG2-CB 4.49Å; I196-C259 HydrophobicContact CG2-CB 3.53Å |
| 197 | R | 94.9 | Very high | 89.2 | Confident | 125 Ų | 125 | 82 Ų | 82 | 47% | 0.472 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 123.4 | 175.4 | -177.9 | -178.7 | 174.4 | -171.3 | -2.9 | 109.7 | R199 D201 V202 I256 L257 E258 C259 | R197-R199 PolarHBondContact NE-O 2.94Å; R197-D201 CarbonylContact C-O 3.53Å; R197-D201 VanDerWaalsContact CA-O 3.27Å; R197-D201 WeakPolarHBondContact CA-O 3.36Å; R197-V202 HydrophobicContact CB-CG2 4.23Å; R197-V202 HydrophobicContact CG-CG2 4.21Å; R197-I256 HydrophobicContact CB-CG2 4.08Å; R197-L257 PolarHBondContact N-O 3.24Å; R197-E258 CarbonylContact O-C 3.48Å; R197-C259 PolarHBondContact O-N 2.85Å |
| 198 | C | 93.1 | Very high | 91 | Very high | 8 Ų | 8 | 76 Ų | 76 | 5% | 0.054 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 105.2 | 173.4 | -58.3 | 0 | 0 | 0 | 0 | 108 | T200 D201 H203 L224 C259 | C198-T200 PolarHBondContact O-N 2.83Å; C198-D201 PolarHBondContact N-O 3.23Å; C198-D201 PolarHBondContact O-N 3.06Å; C198-H203 PolarHBondContact SG-CD2 3.49Å; C198-L224 HydrophobicContact CB-CD1 4.43Å; C198-L224 HydrophobicContact CB-CD2 4.35Å; C198-C259 VanDerWaalsContact SG-CB 3.5Å |
| 199 | R | 88.2 | Confident | 92.2 | Very high | 216 Ų | 216 | 75.1 Ų | 75.1 | 82% | 0.815 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | -99.2 | -177.5 | -50.6 | 175.9 | 105.2 | -179.9 | 5.5 | 112 | R197 | R197-R199 PolarHBondContact NE-O 2.94Š|
| 200 | T | 88.4 | Confident | 93 | Very high | 122 Ų | 122 | 75.2 Ų | 75.2 | 75% | 0.748 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -18.4 | 179.7 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | C198 | C198-T200 PolarHBondContact O-N 2.83Š|
| 201 | D | 93.7 | Very high | 93.4 | Very high | 92 Ų | 92 | 66.2 Ų | 66.2 | 49% | 0.492 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 149.6 | -168.4 | -59.6 | -30.8 | 0 | 0 | 0 | 111.3 | R197 C198 | R197-D201 CarbonylContact C-O 3.53Å; R197-D201 VanDerWaalsContact CA-O 3.27Å; R197-D201 WeakPolarHBondContact CA-O 3.36Å; C198-D201 PolarHBondContact N-O 3.23Å; C198-D201 PolarHBondContact O-N 3.06Å |
| 202 | V | 95 | Very high | 93.6 | Very high | 78 Ų | 78 | 67.6 Ų | 67.6 | 47% | 0.473 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 110.8 | 175.6 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | K195 I196 R197 | K195-V202 HydrophobicContact CB-CG1 4.15Å; I196-V202 CarbonylContact O-C 3.56Å; I196-V202 WeakPolarHBondContact O-CA 3.48Å; R197-V202 HydrophobicContact CB-CG2 4.23Å; R197-V202 HydrophobicContact CG-CG2 4.21Å |
| 203 | H | 94.3 | Very high | 93.7 | Very high | 34 Ų | 34 | 65.8 Ų | 65.8 | 16% | 0.157 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 138.1 | 176.7 | -55.1 | -79.2 | 0 | 0 | 0 | 110.1 | I196 C198 L220 | I196-H203 PolarHBondContact N-O 3.42Å; I196-H203 PolarHBondContact O-N 3.39Å; C198-H203 PolarHBondContact SG-CD2 3.49Å; H203-L220 HydrophobicContact CB-CD2 3.87Å |
| 204 | K | 94.9 | Very high | 93.7 | Very high | 156 Ų | 156 | 66.5 Ų | 66.5 | 68% | 0.678 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 116.8 | 176.7 | -66.1 | 178.8 | -176.2 | 173.7 | 0 | 108.7 | L194 K195 | L194-K204 WeakPolarHBondContact O-CA 3.36Å; K195-K204 HydrophobicContact CG-CG 4.41Å |
| 205 | V | 94.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 70.9 Ų | 70.9 | 5% | 0.048 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.3 | 179.7 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | L194 I196 V207 V216 R219 L220 | L194-V205 PolarHBondContact N-O 2.91Å; L194-V205 PolarHBondContact O-N 2.92Å; I196-V205 HydrophobicContact CD1-CB 3.99Å; I196-V205 HydrophobicContact CD1-CG2 3.64Å; V205-V207 HydrophobicContact CB-CG1 4.43Å; V205-V207 HydrophobicContact CG1-CG1 3.87Å; V205-V207 PolarHBondContact O-N 2.93Å; V205-V216 HydrophobicContact CB-CG1 4.43Å; V205-V216 HydrophobicContact CG1-CG1 4.34Å; V205-V216 HydrophobicContact CG2-CG1 4.48Å; V205-R219 HydrophobicContact CG1-CB 4.45Å; V205-L220 HydrophobicContact CG2-CD2 4.26Å |
| 206 | L | 94 | Very high | 93.5 | Very high | 91 Ų | 91 | 68 Ų | 68 | 48% | 0.476 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 121.1 | 173.7 | -61.2 | 176.7 | 0 | 0 | 0 | 109.3 | P193 R219 | P193-L206 HydrophobicContact CB-CD2 3.88Å; L206-R219 PolarHBondContact O-NH1 2.83Å |
| 207 | V | 94.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 149.6 | -175.3 | -61.5 | 0 | 0 | 0 | 0 | 111 | E191 I192 L194 V205 T211 V216 V246 | E191-V207 CarbonylContact C-O 3.54Å; E191-V207 WeakPolarHBondContact CA-O 3.36Å; I192-V207 PolarHBondContact N-O 3.37Å; I192-V207 WeakPolarHBondContact O-CG2 3.41Å; I192-V207 PolarHBondContact O-N 2.82Å; L194-V207 HydrophobicContact CB-CG2 3.89Å; L194-V207 HydrophobicContact CD2-CG2 4.44Å; V205-V207 HydrophobicContact CB-CG1 4.43Å; V205-V207 HydrophobicContact CG1-CG1 3.87Å; V205-V207 PolarHBondContact O-N 2.93Å; V207-T211 HydrophobicContact CB-CG2 4.25Å; V207-T211 HydrophobicContact CG1-CG2 4.22Å; V207-V216 HydrophobicContact CG1-CG2 3.58Å; V207-V246 HydrophobicContact CB-CG2 4.2Å; V207-V246 HydrophobicContact CG2-CB 4.49Å; V207-V246 HydrophobicContact CG2-CG1 3.91Å; V207-V246 HydrophobicContact CG2-CG2 3.97Å |
| 208 | L | 94.3 | Very high | 93.3 | Very high | 50 Ų | 50 | 64.2 Ų | 64.2 | 26% | 0.262 | 33% | 0.333 | S | S | . | . | trans | -89.4 | 156.6 | 169.6 | -64.7 | 151.3 | 0 | 0 | 0 | 108.6 | P189 E191 S210 T211 | P189-L208 HydrophobicContact CB-CD2 3.78Å; P189-L208 HydrophobicContact CG-CD2 3.91Å; P189-L208 WeakPolarHBondContact O-CD2 3.4Å; E191-L208 HydrophobicContact CG-CD2 3.94Å; E191-L208 HydrophobicContact CG-CG 4.21Å; L208-S210 PolarHBondContact O-N 2.82Å; L208-S210 VanDerWaalsContact O-N 3.11Å; L208-T211 WeakPolarHBondContact CB-OG1 3.45Å; L208-T211 PolarHBondContact N-OG1 2.77Å; L208-T211 VanDerWaalsContact O-CB 3.23Å; L208-T211 WeakPolarHBondContact O-CB 3.32Å; L208-T211 PolarHBondContact O-N 3.27Å; L208-T211 PolarHBondContact O-OG1 2.73Å | ||
| 209 | P | 91.4 | Very high | 93.3 | Very high | 50 Ų | 50 | 68.6 Ų | 68.6 | 33% | 0.325 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.7 | 171.3 | -25.4 | 34.6 | 0 | 0 | 0 | 113.3 | I192 G247 | I192-P209 HydrophobicContact CD1-CG 4.2Å; P209-G247 WeakPolarHBondContact O-CA 3.48Å; P209-G247 PolarHBondContact O-N 2.77Å |
| 210 | S | 92.5 | Very high | 93.6 | Very high | 80 Ų | 80 | 58.3 Ų | 58.3 | 56% | 0.559 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -10.1 | 175.7 | 54.5 | 0 | 0 | 0 | 0 | 114.4 | L208 | L208-S210 PolarHBondContact O-N 2.82Å; L208-S210 VanDerWaalsContact O-N 3.11Å |
| 211 | T | 94.4 | Very high | 93.8 | Very high | 9 Ų | 9 | 53 Ų | 53 | 6% | 0.055 | 28% | 0.278 | C | S | . | . | trans | -65.7 | 137.1 | 179.7 | -60.6 | 0 | 0 | 0 | 0 | 110.2 | V207 L208 E215 V216 T245 V246 | V207-T211 HydrophobicContact CB-CG2 4.25Å; V207-T211 HydrophobicContact CG1-CG2 4.22Å; L208-T211 WeakPolarHBondContact CB-OG1 3.45Å; L208-T211 PolarHBondContact N-OG1 2.77Å; L208-T211 VanDerWaalsContact O-CB 3.23Å; L208-T211 WeakPolarHBondContact O-CB 3.32Å; L208-T211 PolarHBondContact O-N 3.27Å; L208-T211 PolarHBondContact O-OG1 2.73Å; T211-E215 HydrophobicContact CG2-CB 4.17Å; T211-V216 HydrophobicContact CG2-CG2 4.07Å; T211-T245 VanDerWaalsContact O-CA 3.29Å; T211-T245 WeakPolarHBondContact O-CA 3.38Å; T211-V246 WeakPolarHBondContact O-CG2 3.38Å; T211-V246 PolarHBondContact O-N 3.28Å | ||
| 212 | R | 95.3 | Very high | 93.8 | Very high | 152 Ų | 152 | 52.4 Ų | 52.4 | 57% | 0.574 | 29% | 0.286 | S | S | * | . | B | Isolated β-bridge | trans | -84.4 | 148.5 | 174.7 | -69.9 | -175 | 179.8 | 174.4 | -0.4 | 111.2 | S214 E215 V216 A244 T245 | R212-S214 PolarHBondContact O-N 3.21Å; R212-E215 WeakPolarHBondContact O-CB 3.39Å; R212-E215 PolarHBondContact O-N 2.75Å; R212-E215 VanDerWaalsContact O-N 3.09Å; R212-V216 PolarHBondContact O-N 3.31Å; R212-A244 WeakPolarHBondContact CA-O 3.49Å; R212-T245 HydrophobicContact CG-CG2 3.93Å |
| 213 | L | 94.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -30.5 | 176.1 | -71.2 | -172.5 | 0 | 0 | 0 | 113 | E215 V216 L217 L233 L240 A244 V246 L249 L251 | L213-E215 PolarHBondContact O-N 2.87Å; L213-V216 WeakPolarHBondContact O-CB 3.36Å; L213-V216 PolarHBondContact O-N 3.26Å; L213-V216 VanDerWaalsContact O-N 3.13Å; L213-L217 WeakPolarHBondContact O-CB 3.38Å; L213-L217 WeakPolarHBondContact O-CG 3.37Å; L213-L217 PolarHBondContact O-N 3.17Å; L213-L233 HydrophobicContact CB-CD1 4.46Å; L213-L233 HydrophobicContact CD1-CD1 4.47Å; L213-L233 HydrophobicContact CD2-CD1 4.15Å; L213-L240 HydrophobicContact CD1-CB 3.53Å; L213-L240 HydrophobicContact CD1-CD1 4.05Å; L213-L240 HydrophobicContact CD1-CG 4.42Å; L213-A244 PolarHBondContact N-O 2.91Å; L213-V246 HydrophobicContact CD2-CG2 4.33Å; L213-L249 HydrophobicContact CD1-CD1 3.34Å; L213-L249 HydrophobicContact CG-CD1 4.01Å; L213-L251 HydrophobicContact CD2-CD1 3.96Å |
| 214 | S | 92.7 | Very high | 93.5 | Very high | 61 Ų | 61 | 53.6 Ų | 53.6 | 43% | 0.427 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.2 | -35.2 | 173.7 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | R212 G218 A242 | R212-S214 PolarHBondContact O-N 3.21Å; S214-G218 PolarHBondContact O-N 3.48Å; S214-A242 WeakPolarHBondContact CB-O 3.45Å; S214-A242 PolarHBondContact N-O 3.29Å |
| 215 | E | 94 | Very high | 93.3 | Very high | 92 Ų | 92 | 55 Ų | 55 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72.2 | -40.2 | 176.2 | -166.2 | -170.2 | 147.3 | 0 | 0 | 111 | T211 R212 L213 L217 G218 R219 | T211-E215 HydrophobicContact CG2-CB 4.17Å; R212-E215 WeakPolarHBondContact O-CB 3.39Å; R212-E215 PolarHBondContact O-N 2.75Å; R212-E215 VanDerWaalsContact O-N 3.09Å; L213-E215 PolarHBondContact O-N 2.87Å; E215-L217 VanDerWaalsContact C-N 3.33Å; E215-L217 PolarHBondContact O-N 3.45Å; E215-G218 PolarHBondContact O-N 2.77Å; E215-G218 VanDerWaalsContact O-N 3.17Å; E215-R219 WeakPolarHBondContact O-CG 3.03Å; E215-R219 PolarHBondContact O-N 3.34Å; E215-R219 IonicContact OE1-CZ 3.45Å; E215-R219 IonicContact OE1-NE 3.54Å; E215-R219 IonicContact OE1-NH2 2.77Å; E215-R219 PolarHBondContact OE1-NH2 3.01Å |
| 216 | V | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 174.2 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | L194 I196 V205 V207 T211 R212 L213 G218 R219 L220 | L194-V216 HydrophobicContact CD2-CG1 4.44Å; I196-V216 HydrophobicContact CD1-CG1 3.97Å; V205-V216 HydrophobicContact CB-CG1 4.43Å; V205-V216 HydrophobicContact CG1-CG1 4.34Å; V205-V216 HydrophobicContact CG2-CG1 4.48Å; V207-V216 HydrophobicContact CG1-CG2 3.58Å; T211-V216 HydrophobicContact CG2-CG2 4.07Å; R212-V216 PolarHBondContact O-N 3.31Å; L213-V216 WeakPolarHBondContact O-CB 3.36Å; L213-V216 PolarHBondContact O-N 3.26Å; L213-V216 VanDerWaalsContact O-N 3.13Å; V216-G218 VanDerWaalsContact C-N 3.31Å; V216-G218 PolarHBondContact O-N 2.77Å; V216-R219 PolarHBondContact O-N 2.89Å; V216-L220 HydrophobicContact CG1-CD1 4.13Å; V216-L220 WeakPolarHBondContact O-CG 3.47Å; V216-L220 PolarHBondContact O-N 3.13Å |
| 217 | L | 93.7 | Very high | 92.7 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.073 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.5 | -39 | 173.8 | -75.2 | 178 | 0 | 0 | 0 | 112.1 | L213 E215 L220 A221 L231 L233 A242 | L213-L217 WeakPolarHBondContact O-CB 3.38Å; L213-L217 WeakPolarHBondContact O-CG 3.37Å; L213-L217 PolarHBondContact O-N 3.17Å; E215-L217 VanDerWaalsContact C-N 3.33Å; E215-L217 PolarHBondContact O-N 3.45Å; L217-L220 HydrophobicContact CD2-CD1 4.5Å; L217-L220 PolarHBondContact O-N 3.42Å; L217-A221 WeakPolarHBondContact O-CB 3.47Å; L217-A221 PolarHBondContact O-N 3.5Å; L217-L231 HydrophobicContact CD2-CB 3.56Å; L217-L231 HydrophobicContact CD2-CD1 4.31Å; L217-L233 HydrophobicContact CD2-CD1 3.77Å; L217-L233 HydrophobicContact CD2-CD2 4.14Å; L217-L233 HydrophobicContact CD2-CG 3.6Å; L217-L233 HydrophobicContact CG-CD1 3.97Å; L217-L233 HydrophobicContact CG-CG 4.29Å; L217-A242 HydrophobicContact CD1-CB 4.14Å |
| 218 | G | 93.1 | Very high | 92.4 | Very high | 32 Ų | 32 | 57.3 Ų | 57.3 | 33% | 0.33 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -41 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | S214 E215 V216 A221 A222 | S214-G218 PolarHBondContact O-N 3.48Å; E215-G218 PolarHBondContact O-N 2.77Å; E215-G218 VanDerWaalsContact O-N 3.17Å; V216-G218 VanDerWaalsContact C-N 3.31Å; V216-G218 PolarHBondContact O-N 2.77Å; G218-A221 PolarHBondContact O-N 2.77Å; G218-A222 PolarHBondContact O-N 3.28Å |
| 219 | R | 93.4 | Very high | 91.9 | Very high | 101 Ų | 101 | 58.7 Ų | 58.7 | 38% | 0.381 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 174.9 | -64.9 | 177.7 | -171.7 | -160.4 | 6.6 | 111.6 | V205 L206 E215 V216 A222 I223 | V205-R219 HydrophobicContact CG1-CB 4.45Å; L206-R219 PolarHBondContact O-NH1 2.83Å; E215-R219 WeakPolarHBondContact O-CG 3.03Å; E215-R219 PolarHBondContact O-N 3.34Å; E215-R219 IonicContact OE1-CZ 3.45Å; E215-R219 IonicContact OE1-NE 3.54Å; E215-R219 IonicContact OE1-NH2 2.77Å; E215-R219 PolarHBondContact OE1-NH2 3.01Å; V216-R219 PolarHBondContact O-N 2.89Å; R219-A222 PolarHBondContact O-N 3.18Å; R219-I223 WeakPolarHBondContact O-CD1 3.45Å; R219-I223 VanDerWaalsContact O-CG1 3.32Å; R219-I223 WeakPolarHBondContact O-CG1 3.12Å; R219-I223 PolarHBondContact O-N 2.94Å |
| 220 | L | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 176 | -71.5 | 169.3 | 0 | 0 | 0 | 112.2 | I196 H203 V205 V216 L217 A222 I223 L224 L231 L233 | I196-L220 HydrophobicContact CB-CD1 4.21Å; I196-L220 HydrophobicContact CB-CD2 4.27Å; I196-L220 HydrophobicContact CD1-CD1 4.2Å; I196-L220 HydrophobicContact CD1-CD2 4.33Å; I196-L220 HydrophobicContact CG1-CD1 4.08Å; I196-L220 HydrophobicContact CG2-CD1 3.8Å; I196-L220 HydrophobicContact CG2-CD2 4.34Å; H203-L220 HydrophobicContact CB-CD2 3.87Å; V205-L220 HydrophobicContact CG2-CD2 4.26Å; V216-L220 HydrophobicContact CG1-CD1 4.13Å; V216-L220 WeakPolarHBondContact O-CG 3.47Å; V216-L220 PolarHBondContact O-N 3.13Å; L217-L220 HydrophobicContact CD2-CD1 4.5Å; L217-L220 PolarHBondContact O-N 3.42Å; L220-A222 VanDerWaalsContact C-N 3.28Å; L220-A222 PolarHBondContact O-N 3.17Å; L220-I223 PolarHBondContact O-N 3.12Å; L220-L224 WeakPolarHBondContact O-CB 3.18Å; L220-L224 WeakPolarHBondContact O-CG 3.18Å; L220-L224 PolarHBondContact O-N 2.84Å; L220-L231 HydrophobicContact CB-CD1 3.96Å; L220-L233 HydrophobicContact CD1-CD2 4.05Å |
| 221 | A | 93.7 | Very high | 91.6 | Very high | 10 Ų | 10 | 55.9 Ų | 55.9 | 8% | 0.083 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | L217 G218 I223 E225 V226 P228 L231 | L217-A221 WeakPolarHBondContact O-CB 3.47Å; L217-A221 PolarHBondContact O-N 3.5Å; G218-A221 PolarHBondContact O-N 2.77Å; A221-I223 VanDerWaalsContact C-N 3.33Å; A221-E225 WeakPolarHBondContact O-CA 3.46Å; A221-E225 PolarHBondContact O-N 2.83Å; A221-V226 WeakPolarHBondContact CA-O 3.47Å; A221-V226 WeakPolarHBondContact CB-O 3.24Å; A221-V226 PolarHBondContact O-N 2.92Å; A221-P228 HydrophobicContact CB-CB 4.21Å; A221-P228 HydrophobicContact CB-CG 3.63Å; A221-L231 HydrophobicContact CB-CD1 3.96Å |
| 222 | A | 92.9 | Very high | 91.5 | Very high | 79 Ų | 79 | 57.2 Ų | 57.2 | 65% | 0.653 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.3 | -34.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G218 R219 L220 | G218-A222 PolarHBondContact O-N 3.28Å; R219-A222 PolarHBondContact O-N 3.18Å; L220-A222 VanDerWaalsContact C-N 3.28Å; L220-A222 PolarHBondContact O-N 3.17Å |
| 223 | I | 92.1 | Very high | 91.4 | Very high | 92 Ų | 92 | 50.1 Ų | 50.1 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -76.4 | -38.9 | 179.4 | -65.7 | 163.4 | 0 | 0 | 0 | 111.7 | R219 L220 A221 | R219-I223 WeakPolarHBondContact O-CD1 3.45Å; R219-I223 VanDerWaalsContact O-CG1 3.32Å; R219-I223 WeakPolarHBondContact O-CG1 3.12Å; R219-I223 PolarHBondContact O-N 2.94Å; L220-I223 PolarHBondContact O-N 3.12Å; A221-I223 VanDerWaalsContact C-N 3.33Å |
| 224 | L | 90.7 | Very high | 91.4 | Very high | 46 Ų | 46 | 51.2 Ų | 51.2 | 24% | 0.241 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -92.3 | -6 | -175.1 | -61.7 | 174.2 | 0 | 0 | 0 | 113.3 | C198 L220 V226 L231 | C198-L224 HydrophobicContact CB-CD1 4.43Å; C198-L224 HydrophobicContact CB-CD2 4.35Å; L220-L224 WeakPolarHBondContact O-CB 3.18Å; L220-L224 WeakPolarHBondContact O-CG 3.18Å; L220-L224 PolarHBondContact O-N 2.84Å; L224-V226 HydrophobicContact CB-CB 4.41Å; L224-V226 HydrophobicContact CB-CG2 4.36Å; L224-V226 WeakPolarHBondContact O-CG2 3.44Å; L224-V226 PolarHBondContact O-N 2.82Å; L224-L231 HydrophobicContact CD1-CD2 4.01Å |
| 225 | E | 90.1 | Very high | 91.4 | Very high | 184 Ų | 184 | 51.4 Ų | 51.4 | 86% | 0.86 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 30.7 | -172.9 | -58.1 | -175.5 | 172.8 | 0 | 0 | 113.6 | A221 | A221-E225 WeakPolarHBondContact O-CA 3.46Å; A221-E225 PolarHBondContact O-N 2.83Å |
| 226 | V | 89.9 | Confident | 91.3 | Very high | 25 Ų | 25 | 54.6 Ų | 54.6 | 15% | 0.152 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -116.2 | 136.2 | -179.4 | 172.4 | 0 | 0 | 0 | 0 | 109 | A221 L224 R230 L231 V261 | A221-V226 WeakPolarHBondContact CA-O 3.47Å; A221-V226 WeakPolarHBondContact CB-O 3.24Å; A221-V226 PolarHBondContact O-N 2.92Å; L224-V226 HydrophobicContact CB-CB 4.41Å; L224-V226 HydrophobicContact CB-CG2 4.36Å; L224-V226 WeakPolarHBondContact O-CG2 3.44Å; L224-V226 PolarHBondContact O-N 2.82Å; V226-R230 HydrophobicContact CG1-CB 3.62Å; V226-R230 HydrophobicContact CG1-CG 4.47Å; V226-L231 HydrophobicContact CB-CD2 4.14Å; V226-L231 HydrophobicContact CG1-CD2 3.81Å; V226-L231 HydrophobicContact CG1-CG 4.29Å; V226-V261 HydrophobicContact CG1-CG1 3.86Å; V226-V261 HydrophobicContact CG2-CG1 4.1Å |
| 227 | P | 87.2 | Confident | 91 | Very high | 66 Ų | 66 | 63 Ų | 63 | 43% | 0.429 | 33% | 0.334 | S | S | . | . | trans | -51.1 | 135.7 | 174 | -28.6 | 33.4 | 0 | 0 | 0 | 112.7 | P229 R230 | P227-P229 VanDerWaalsContact C-N 3.28Å; P227-P229 HydrophobicContact CB-CG 4.43Å; P227-P229 WeakPolarHBondContact O-CD 3.37Å; P227-P229 VanDerWaalsContact O-N 3.12Å; P227-R230 HydrophobicContact CB-CG 4.38Å; P227-R230 WeakPolarHBondContact O-CB 3.44Å; P227-R230 PolarHBondContact O-N 3.11Å | ||
| 228 | P | 86.7 | Confident | 90.8 | Very high | 60 Ų | 60 | 68.3 Ų | 68.3 | 39% | 0.39 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -49.6 | -38.2 | 179 | -22.8 | 29.1 | 0 | 0 | 0 | 115.4 | A221 R230 L231 | A221-P228 HydrophobicContact CB-CB 4.21Å; A221-P228 HydrophobicContact CB-CG 3.63Å; P228-R230 PolarHBondContact O-N 2.8Å; P228-L231 WeakPolarHBondContact O-CB 3.41Å; P228-L231 PolarHBondContact O-N 2.98Å; P228-L231 VanDerWaalsContact O-N 3.1Å |
| 229 | P | 84.7 | Confident | 90.8 | Very high | 78 Ų | 78 | 73.1 Ų | 73.1 | 51% | 0.506 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -79.1 | -4.9 | -175.8 | 36.8 | -38.9 | 0 | 0 | 0 | 112.6 | P227 L231 Q267 | P227-P229 VanDerWaalsContact C-N 3.28Å; P227-P229 HydrophobicContact CB-CG 4.43Å; P227-P229 WeakPolarHBondContact O-CD 3.37Å; P227-P229 VanDerWaalsContact O-N 3.12Å; P229-L231 VanDerWaalsContact C-N 3.34Å; P229-Q267 HydrophobicContact CG-CG 4.46Å; P229-Q267 PolarHBondContact O-NE2 3.02Å |
| 230 | R | 86.8 | Confident | 90.7 | Very high | 60 Ų | 60 | 69.4 Ų | 69.4 | 23% | 0.226 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -86.9 | -3.8 | 167.4 | -65.3 | -177.3 | 59.4 | -164.4 | -4.5 | 113.1 | V226 P227 P228 V261 M262 | V226-R230 HydrophobicContact CG1-CB 3.62Å; V226-R230 HydrophobicContact CG1-CG 4.47Å; P227-R230 HydrophobicContact CB-CG 4.38Å; P227-R230 WeakPolarHBondContact O-CB 3.44Å; P227-R230 PolarHBondContact O-N 3.11Å; P228-R230 PolarHBondContact O-N 2.8Å; R230-V261 CarbonylContact O-C 3.48Å; R230-V261 WeakPolarHBondContact O-CA 3.07Å; R230-M262 VanDerWaalsContact CZ-O 3.26Å; R230-M262 PolarHBondContact NE-O 2.92Å; R230-M262 PolarHBondContact NH2-O 2.9Å; R230-M262 PolarHBondContact O-N 3.36Å |
| 231 | L | 90.9 | Very high | 90.5 | Very high | 11 Ų | 11 | 73.2 Ų | 73.2 | 6% | 0.058 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122.3 | -178.7 | -59.6 | -178.7 | 0 | 0 | 0 | 109.8 | L217 L220 A221 L224 V226 P228 P229 V261 | L217-L231 HydrophobicContact CD2-CB 3.56Å; L217-L231 HydrophobicContact CD2-CD1 4.31Å; L220-L231 HydrophobicContact CB-CD1 3.96Å; A221-L231 HydrophobicContact CB-CD1 3.96Å; L224-L231 HydrophobicContact CD1-CD2 4.01Å; V226-L231 HydrophobicContact CB-CD2 4.14Å; V226-L231 HydrophobicContact CG1-CD2 3.81Å; V226-L231 HydrophobicContact CG1-CG 4.29Å; P228-L231 WeakPolarHBondContact O-CB 3.41Å; P228-L231 PolarHBondContact O-N 2.98Å; P228-L231 VanDerWaalsContact O-N 3.1Å; P229-L231 VanDerWaalsContact C-N 3.34Å; L231-V261 HydrophobicContact CD2-CG2 3.77Å |
| 232 | L | 91.8 | Very high | 90.3 | Very high | 37 Ų | 37 | 75 Ų | 75 | 19% | 0.194 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.1 | 173.9 | -178.3 | 64.1 | 0 | 0 | 0 | 109.1 | L234 E239 C259 V260 | L232-L234 HydrophobicContact CD2-CD1 4.22Å; L232-L234 HydrophobicContact CD2-CG 4.46Å; L232-L234 HydrophobicContact CG-CD1 4.12Å; L232-L234 HydrophobicContact CG-CG 4.36Å; L232-E239 HydrophobicContact CD1-CB 4.2Å; L232-E239 HydrophobicContact CD1-CG 4Å; L232-E239 HydrophobicContact CD2-CG 4.05Å; L232-E239 HydrophobicContact CG-CG 4.39Å; L232-C259 CarbonylContact O-C 3.57Å; L232-C259 VanDerWaalsContact O-CA 3.24Å; L232-C259 WeakPolarHBondContact O-CA 3.43Å; L232-V260 HydrophobicContact CB-CB 4.49Å; L232-V260 PolarHBondContact N-O 2.79Å; L232-V260 PolarHBondContact O-N 3.47Å |
| 233 | L | 93.9 | Very high | 90.1 | Very high | 3 Ų | 3 | 73.8 Ų | 73.8 | 2% | 0.016 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 133.1 | 173.7 | -67.4 | 175.6 | 0 | 0 | 0 | 109.8 | I196 L213 L217 L220 L240 L257 E258 C259 | I196-L233 HydrophobicContact CG2-CD2 3.81Å; L213-L233 HydrophobicContact CB-CD1 4.46Å; L213-L233 HydrophobicContact CD1-CD1 4.47Å; L213-L233 HydrophobicContact CD2-CD1 4.15Å; L217-L233 HydrophobicContact CD2-CD1 3.77Å; L217-L233 HydrophobicContact CD2-CD2 4.14Å; L217-L233 HydrophobicContact CD2-CG 3.6Å; L217-L233 HydrophobicContact CG-CD1 3.97Å; L217-L233 HydrophobicContact CG-CG 4.29Å; L220-L233 HydrophobicContact CD1-CD2 4.05Å; L233-L240 HydrophobicContact CB-CB 4.3Å; L233-L240 HydrophobicContact CB-CD1 4.35Å; L233-L240 PolarHBondContact O-N 3.34Å; L233-L257 HydrophobicContact CD1-CD1 4.36Å; L233-E258 CarbonylContact C-O 3.59Å; L233-E258 WeakPolarHBondContact CA-O 3.2Å; L233-C259 HydrophobicContact CD2-CB 3.82Å |
| 234 | L | 94 | Very high | 90.1 | Very high | 25 Ų | 25 | 70.1 Ų | 70.1 | 13% | 0.131 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 143.9 | 176.7 | -53.6 | 100.1 | 0 | 0 | 0 | 111.1 | L232 L238 E239 L257 E258 V260 | L232-L234 HydrophobicContact CD2-CD1 4.22Å; L232-L234 HydrophobicContact CD2-CG 4.46Å; L232-L234 HydrophobicContact CG-CD1 4.12Å; L232-L234 HydrophobicContact CG-CG 4.36Å; L234-L238 CarbonylContact C-O 3.52Å; L234-L238 WeakPolarHBondContact CA-O 3.41Å; L234-E239 HydrophobicContact CD2-CG 4.38Å; L234-L257 CarbonylContact O-C 3.56Å; L234-L257 WeakPolarHBondContact O-CA 3.07Å; L234-E258 HydrophobicContact CB-CB 4.41Å; L234-E258 PolarHBondContact N-O 3.2Å; L234-E258 PolarHBondContact O-N 3.14Å; L234-V260 HydrophobicContact CD1-CB 4.16Å; L234-V260 HydrophobicContact CD1-CG2 3.5Å |
| 235 | R | 93.5 | Very high | 90.3 | Very high | 65 Ų | 65 | 69 Ų | 69 | 25% | 0.245 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122 | 165.4 | -179.9 | -171.2 | -170.7 | 163.9 | 13 | 107.3 | E237 L238 L240 L249 D255 L257 | R235-E237 PolarHBondContact O-N 2.87Å; R235-L238 PolarHBondContact N-O 2.77Å; R235-L238 WeakPolarHBondContact O-CB 3.47Å; R235-L238 PolarHBondContact O-N 3.23Å; R235-L240 HydrophobicContact CB-CD1 4.12Å; R235-L240 HydrophobicContact CB-CD2 4Å; R235-L240 HydrophobicContact CB-CG 4.25Å; R235-L249 PolarHBondContact NH1-O 2.94Å; R235-D255 IonicContact CZ-OD1 2.77Å; R235-D255 IonicContact NE-OD1 2.78Å; R235-D255 IonicContact NH2-OD1 2.85Å; R235-D255 PolarHBondContact NH2-OD1 3.4Å; R235-D255 IonicContact NH2-OD2 3.59Å; R235-D255 PolarHBondContact NH2-OD2 3.47Å; R235-L257 HydrophobicContact CB-CD2 3.9Å; R235-L257 HydrophobicContact CG-CD2 4.38Å |
| 236 | E | 90.6 | Very high | 90.5 | Very high | 158 Ų | 158 | 60.3 Ų | 60.3 | 74% | 0.738 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 46.5 | 179.2 | -61.3 | 168.9 | -158.4 | 0 | 0 | 111.6 | L238 | E236-L238 PolarHBondContact O-N 3.13Å; E236-L238 VanDerWaalsContact O-N 3.13Å |
| 237 | E | 87.2 | Confident | 90.5 | Very high | 178 Ų | 178 | 61 Ų | 61 | 83% | 0.832 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 0.7 | -179.1 | -53.2 | 162.7 | -169.9 | 0 | 0 | 115.5 | R235 | R235-E237 PolarHBondContact O-N 2.87Š|
| 238 | L | 90.4 | Very high | 90.8 | Very high | 125 Ų | 125 | 65 Ų | 65 | 65% | 0.654 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 130.3 | 176.4 | -62.2 | 176.4 | 0 | 0 | 0 | 112.1 | L234 R235 E236 L240 | L234-L238 CarbonylContact C-O 3.52Å; L234-L238 WeakPolarHBondContact CA-O 3.41Å; R235-L238 PolarHBondContact N-O 2.77Å; R235-L238 WeakPolarHBondContact O-CB 3.47Å; R235-L238 PolarHBondContact O-N 3.23Å; E236-L238 PolarHBondContact O-N 3.13Å; E236-L238 VanDerWaalsContact O-N 3.13Å; L238-L240 PolarHBondContact O-N 2.93Å |
| 239 | E | 92.3 | Very high | 91 | Very high | 133 Ų | 133 | 64.2 Ų | 64.2 | 62% | 0.621 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 130 | 175.7 | -61.8 | -170.6 | 176.7 | 0 | 0 | 111.8 | L232 L234 | L232-E239 HydrophobicContact CD1-CB 4.2Å; L232-E239 HydrophobicContact CD1-CG 4Å; L232-E239 HydrophobicContact CD2-CG 4.05Å; L232-E239 HydrophobicContact CG-CG 4.39Å; L234-E239 HydrophobicContact CD2-CG 4.38Å |
| 240 | L | 91.6 | Very high | 91.4 | Very high | 23 Ų | 23 | 62.9 Ų | 62.9 | 12% | 0.12 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -94.6 | 127.1 | 178.6 | -63.1 | -178.4 | 0 | 0 | 0 | 111.2 | L213 L233 R235 L238 A242 L249 L251 L257 | L213-L240 HydrophobicContact CD1-CB 3.53Å; L213-L240 HydrophobicContact CD1-CD1 4.05Å; L213-L240 HydrophobicContact CD1-CG 4.42Å; L233-L240 HydrophobicContact CB-CB 4.3Å; L233-L240 HydrophobicContact CB-CD1 4.35Å; L233-L240 PolarHBondContact O-N 3.34Å; R235-L240 HydrophobicContact CB-CD1 4.12Å; R235-L240 HydrophobicContact CB-CD2 4Å; R235-L240 HydrophobicContact CB-CG 4.25Å; L238-L240 PolarHBondContact O-N 2.93Å; L240-A242 PolarHBondContact O-N 2.98Å; L240-L249 HydrophobicContact CB-CD1 4.43Å; L240-L249 HydrophobicContact CD1-CD1 4.49Å; L240-L249 HydrophobicContact CD2-CD1 4.2Å; L240-L249 HydrophobicContact CD2-CD2 4.43Å; L240-L251 HydrophobicContact CD1-CD1 4.28Å; L240-L257 HydrophobicContact CD1-CD1 3.94Å; L240-L257 HydrophobicContact CD1-CD2 3.6Å; L240-L257 HydrophobicContact CD1-CG 4.39Å |
| 241 | P | 89.6 | Confident | 91.7 | Very high | 79 Ų | 79 | 60.4 Ų | 60.4 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 126.2 | 178.7 | -20.1 | 30.6 | 0 | 0 | 0 | 111.9 | G243 A244 | P241-G243 PolarHBondContact O-N 3.45Å; P241-G243 VanDerWaalsContact O-N 3.1Å; P241-A244 HydrophobicContact CB-CB 4.19Å; P241-A244 WeakPolarHBondContact O-CB 3.23Å; P241-A244 PolarHBondContact O-N 3.3Å |
| 242 | A | 88.6 | Confident | 91.7 | Very high | 47 Ų | 47 | 60.8 Ų | 60.8 | 39% | 0.388 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -25.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S214 L217 L240 | S214-A242 WeakPolarHBondContact CB-O 3.45Å; S214-A242 PolarHBondContact N-O 3.29Å; L217-A242 HydrophobicContact CD1-CB 4.14Å; L240-A242 PolarHBondContact O-N 2.98Å |
| 243 | G | 89.3 | Confident | 91.7 | Very high | 55 Ų | 55 | 63.8 Ų | 63.8 | 57% | 0.567 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -15.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P241 | P241-G243 PolarHBondContact O-N 3.45Å; P241-G243 VanDerWaalsContact O-N 3.1Å |
| 244 | A | 92.8 | Very high | 91.7 | Very high | 14 Ų | 14 | 68 Ų | 68 | 12% | 0.116 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -75.7 | 154.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.6 | R212 L213 P241 L249 | R212-A244 WeakPolarHBondContact CA-O 3.49Å; L213-A244 PolarHBondContact N-O 2.91Å; P241-A244 HydrophobicContact CB-CB 4.19Å; P241-A244 WeakPolarHBondContact O-CB 3.23Å; P241-A244 PolarHBondContact O-N 3.3Å; A244-L249 HydrophobicContact CB-CD1 3.74Å; A244-L249 HydrophobicContact CB-CD2 4.06Å; A244-L249 HydrophobicContact CB-CG 3.85Å |
| 245 | T | 94.7 | Very high | 91.7 | Very high | 23 Ų | 23 | 68.2 Ų | 68.2 | 14% | 0.141 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -94 | 153 | 176.3 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | T211 R212 G247 Q248 L249 | T211-T245 VanDerWaalsContact O-CA 3.29Å; T211-T245 WeakPolarHBondContact O-CA 3.38Å; R212-T245 HydrophobicContact CG-CG2 3.93Å; T245-G247 PolarHBondContact O-N 3.09Å; T245-Q248 VanDerWaalsContact N-OE1 3.16Å; T245-Q248 PolarHBondContact O-N 2.83Å; T245-Q248 VanDerWaalsContact OG1-CB 3.3Å; T245-Q248 WeakPolarHBondContact OG1-CB 3.47Å; T245-Q248 WeakPolarHBondContact OG1-CG 3.29Å; T245-Q248 PolarHBondContact OG1-N 3.29Å; T245-Q248 PolarHBondContact OG1-OE1 2.96Å; T245-L249 PolarHBondContact O-N 3.1Å; T245-L249 VanDerWaalsContact O-N 3.1Å |
| 246 | V | 93.4 | Very high | 91.7 | Very high | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.006 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -42.5 | 177.7 | 174.8 | 0 | 0 | 0 | 0 | 111 | V207 T211 L213 L249 G250 L251 | V207-V246 HydrophobicContact CB-CG2 4.2Å; V207-V246 HydrophobicContact CG2-CB 4.49Å; V207-V246 HydrophobicContact CG2-CG1 3.91Å; V207-V246 HydrophobicContact CG2-CG2 3.97Å; T211-V246 WeakPolarHBondContact O-CG2 3.38Å; T211-V246 PolarHBondContact O-N 3.28Å; L213-V246 HydrophobicContact CD2-CG2 4.33Å; V246-L249 PolarHBondContact O-N 2.96Å; V246-G250 PolarHBondContact O-N 2.86Å; V246-L251 HydrophobicContact CG1-CB 3.74Å; V246-L251 WeakPolarHBondContact CG1-O 3.47Å; V246-L251 PolarHBondContact O-N 3.02Å |
| 247 | G | 90.6 | Very high | 91.9 | Very high | 41 Ų | 41 | 62.6 Ų | 62.6 | 42% | 0.423 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -40.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P209 T245 L249 G250 | P209-G247 WeakPolarHBondContact O-CA 3.48Å; P209-G247 PolarHBondContact O-N 2.77Å; T245-G247 PolarHBondContact O-N 3.09Å; G247-L249 VanDerWaalsContact C-N 3.27Å; G247-L249 PolarHBondContact O-N 2.81Å; G247-G250 PolarHBondContact O-N 2.96Å; G247-G250 VanDerWaalsContact O-N 3.14Å |
| 248 | Q | 93.3 | Very high | 92.3 | Very high | 149 Ų | 149 | 58.4 Ų | 58.4 | 70% | 0.696 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -35.3 | 175.8 | -78.3 | 165.9 | -15.3 | 0 | 0 | 112.3 | T245 G250 | T245-Q248 VanDerWaalsContact N-OE1 3.16Å; T245-Q248 PolarHBondContact O-N 2.83Å; T245-Q248 VanDerWaalsContact OG1-CB 3.3Å; T245-Q248 WeakPolarHBondContact OG1-CB 3.47Å; T245-Q248 WeakPolarHBondContact OG1-CG 3.29Å; T245-Q248 PolarHBondContact OG1-N 3.29Å; T245-Q248 PolarHBondContact OG1-OE1 2.96Å; Q248-G250 VanDerWaalsContact C-N 3.27Å |
| 249 | L | 91.4 | Very high | 92.4 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 23% | 0.23 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -2.1 | 178.5 | -65.4 | 174.7 | 0 | 0 | 0 | 113 | L213 R235 L240 A244 T245 V246 G247 L251 | L213-L249 HydrophobicContact CD1-CD1 3.34Å; L213-L249 HydrophobicContact CG-CD1 4.01Å; R235-L249 PolarHBondContact NH1-O 2.94Å; L240-L249 HydrophobicContact CB-CD1 4.43Å; L240-L249 HydrophobicContact CD1-CD1 4.49Å; L240-L249 HydrophobicContact CD2-CD1 4.2Å; L240-L249 HydrophobicContact CD2-CD2 4.43Å; A244-L249 HydrophobicContact CB-CD1 3.74Å; A244-L249 HydrophobicContact CB-CD2 4.06Å; A244-L249 HydrophobicContact CB-CG 3.85Å; T245-L249 PolarHBondContact O-N 3.1Å; T245-L249 VanDerWaalsContact O-N 3.1Å; V246-L249 PolarHBondContact O-N 2.96Å; G247-L249 VanDerWaalsContact C-N 3.27Å; G247-L249 PolarHBondContact O-N 2.81Å; L249-L251 VanDerWaalsContact C-N 3.25Å; L249-L251 HydrophobicContact CB-CD1 4.03Å; L249-L251 HydrophobicContact CB-CG 3.77Å; L249-L251 HydrophobicContact CD1-CD1 4.07Å; L249-L251 PolarHBondContact O-N 3.23Å |
| 250 | G | 92.1 | Very high | 92.4 | Very high | 49 Ų | 49 | 49 Ų | 49 | 51% | 0.505 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 37.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.7 | V246 G247 Q248 | V246-G250 PolarHBondContact O-N 2.86Å; G247-G250 PolarHBondContact O-N 2.96Å; G247-G250 VanDerWaalsContact O-N 3.14Å; Q248-G250 VanDerWaalsContact C-N 3.27Å |
| 251 | L | 92.6 | Very high | 92.4 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | trans | -84.7 | 127.4 | 179.2 | -64.2 | 176.5 | 0 | 0 | 0 | 110.3 | L194 L213 L240 V246 L249 D255 L257 | L194-L251 HydrophobicContact CD1-CB 4.04Å; L213-L251 HydrophobicContact CD2-CD1 3.96Å; L240-L251 HydrophobicContact CD1-CD1 4.28Å; V246-L251 HydrophobicContact CG1-CB 3.74Å; V246-L251 WeakPolarHBondContact CG1-O 3.47Å; V246-L251 PolarHBondContact O-N 3.02Å; L249-L251 VanDerWaalsContact C-N 3.25Å; L249-L251 HydrophobicContact CB-CD1 4.03Å; L249-L251 HydrophobicContact CB-CG 3.77Å; L249-L251 HydrophobicContact CD1-CD1 4.07Å; L249-L251 PolarHBondContact O-N 3.23Å; L251-D255 WeakPolarHBondContact CA-OD2 3.45Å; L251-D255 HydrophobicContact CD2-CB 4.45Å; L251-L257 HydrophobicContact CD1-CD1 4.04Å; L251-L257 HydrophobicContact CD1-CD2 4.5Å; L251-L257 HydrophobicContact CD2-CD2 3.75Å | ||
| 252 | G | 90.9 | Very high | 92.2 | Very high | 20 Ų | 20 | 49.6 Ų | 49.6 | 21% | 0.206 | 32% | 0.319 | C | S | . | . | trans | -134.8 | -169.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A254 D255 | G252-A254 PolarHBondContact O-N 3.1Å; G252-D255 PolarHBondContact N-OD2 3.3Å; G252-D255 PolarHBondContact O-N 3.19Å | ||
| 253 | I | 93.4 | Very high | 91.8 | Very high | 100 Ų | 100 | 50.5 Ų | 50.5 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -26.9 | -176.3 | -51.2 | 172.4 | 0 | 0 | 0 | 112.3 | I192 P193 K195 | I192-I253 HydrophobicContact CG2-CD1 4.49Å; I192-I253 HydrophobicContact CG2-CG1 3.52Å; P193-I253 HydrophobicContact CG-CG2 4.29Å; K195-I253 PolarHBondContact NZ-O 3.29Å |
| 254 | A | 93 | Very high | 90.6 | Very high | 90 Ų | 90 | 51 Ų | 51 | 74% | 0.744 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -27 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G252 | G252-A254 PolarHBondContact O-N 3.1Š|
| 255 | D | 93.5 | Very high | 88.8 | Confident | 31 Ų | 31 | 58.9 Ų | 58.9 | 17% | 0.166 | 35% | 0.354 | C | S | . | . | trans | -75.4 | 144.4 | -174.7 | -61.8 | -58 | 0 | 0 | 0 | 111.5 | R235 L251 G252 | R235-D255 IonicContact CZ-OD1 2.77Å; R235-D255 IonicContact NE-OD1 2.78Å; R235-D255 IonicContact NH2-OD1 2.85Å; R235-D255 PolarHBondContact NH2-OD1 3.4Å; R235-D255 IonicContact NH2-OD2 3.59Å; R235-D255 PolarHBondContact NH2-OD2 3.47Å; L251-D255 WeakPolarHBondContact CA-OD2 3.45Å; L251-D255 HydrophobicContact CD2-CB 4.45Å; G252-D255 PolarHBondContact N-OD2 3.3Å; G252-D255 PolarHBondContact O-N 3.19Å | ||
| 256 | I | 94.6 | Very high | 86.8 | Confident | 103 Ų | 103 | 62.9 Ų | 62.9 | 53% | 0.528 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 114.3 | 171.8 | -58.1 | 175.9 | 0 | 0 | 0 | 106.2 | K195 R197 | K195-I256 HydrophobicContact CB-CG1 4.24Å; K195-I256 HydrophobicContact CD-CG1 4.08Å; R197-I256 HydrophobicContact CB-CG2 4.08Å |
| 257 | L | 95.2 | Very high | 84.7 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 142.6 | 173.6 | -59.2 | -173 | 0 | 0 | 0 | 109.6 | L194 K195 I196 R197 L233 L234 R235 L240 L251 | L194-L257 HydrophobicContact CD1-CD1 4.39Å; L194-L257 HydrophobicContact CD1-CG 4.48Å; L194-L257 HydrophobicContact CD2-CD1 3.79Å; L194-L257 HydrophobicContact CG-CD1 4.26Å; K195-L257 PolarHBondContact O-N 3.13Å; I196-L257 CarbonylContact C-O 3.55Å; I196-L257 WeakPolarHBondContact CA-O 3.27Å; I196-L257 HydrophobicContact CG1-CB 4.25Å; I196-L257 HydrophobicContact CG1-CD1 4.46Å; I196-L257 HydrophobicContact CG2-CB 4.49Å; R197-L257 PolarHBondContact N-O 3.24Å; L233-L257 HydrophobicContact CD1-CD1 4.36Å; L234-L257 CarbonylContact O-C 3.56Å; L234-L257 WeakPolarHBondContact O-CA 3.07Å; R235-L257 HydrophobicContact CB-CD2 3.9Å; R235-L257 HydrophobicContact CG-CD2 4.38Å; L240-L257 HydrophobicContact CD1-CD1 3.94Å; L240-L257 HydrophobicContact CD1-CD2 3.6Å; L240-L257 HydrophobicContact CD1-CG 4.39Å; L251-L257 HydrophobicContact CD1-CD1 4.04Å; L251-L257 HydrophobicContact CD1-CD2 4.5Å; L251-L257 HydrophobicContact CD2-CD2 3.75Å |
| 258 | E | 95.1 | Very high | 82.8 | Confident | 91 Ų | 91 | 67.9 Ų | 67.9 | 43% | 0.425 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134.6 | 168.8 | -173.4 | 157.7 | -158 | 0 | 0 | 109.2 | R197 L233 L234 V260 | R197-E258 CarbonylContact O-C 3.48Å; L233-E258 CarbonylContact C-O 3.59Å; L233-E258 WeakPolarHBondContact CA-O 3.2Å; L234-E258 HydrophobicContact CB-CB 4.41Å; L234-E258 PolarHBondContact N-O 3.2Å; L234-E258 PolarHBondContact O-N 3.14Å; E258-V260 HydrophobicContact CG-CG2 4.44Å |
| 259 | C | 92.9 | Very high | 80.8 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 3% | 0.027 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.7 | 175 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | I196 R197 C198 L232 L233 | I196-C259 HydrophobicContact CG2-CB 3.53Å; R197-C259 PolarHBondContact O-N 2.85Å; C198-C259 VanDerWaalsContact SG-CB 3.5Å; L232-C259 CarbonylContact O-C 3.57Å; L232-C259 VanDerWaalsContact O-CA 3.24Å; L232-C259 WeakPolarHBondContact O-CA 3.43Å; L233-C259 HydrophobicContact CD2-CB 3.82Å |
| 260 | V | 91.6 | Very high | 79.1 | Confident | 56 Ų | 56 | 65.8 Ų | 65.8 | 34% | 0.339 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.1 | 177.7 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | L232 L234 E258 M262 | L232-V260 HydrophobicContact CB-CB 4.49Å; L232-V260 PolarHBondContact N-O 2.79Å; L232-V260 PolarHBondContact O-N 3.47Å; L234-V260 HydrophobicContact CD1-CB 4.16Å; L234-V260 HydrophobicContact CD1-CG2 3.5Å; E258-V260 HydrophobicContact CG-CG2 4.44Å; V260-M262 HydrophobicContact CG1-SD 4.08Å |
| 261 | V | 91.4 | Very high | 77.5 | Confident | 57 Ų | 57 | 68.7 Ų | 68.7 | 35% | 0.345 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 110.2 | 174.3 | 178 | 0 | 0 | 0 | 0 | 108.3 | V226 R230 L231 | V226-V261 HydrophobicContact CG1-CG1 3.86Å; V226-V261 HydrophobicContact CG2-CG1 4.1Å; R230-V261 CarbonylContact O-C 3.48Å; R230-V261 WeakPolarHBondContact O-CA 3.07Å; L231-V261 HydrophobicContact CD2-CG2 3.77Å |
| 262 | M | 86.3 | Confident | 76.6 | Confident | 58 Ų | 58 | 69.8 Ų | 69.8 | 29% | 0.286 | 42% | 0.419 | S | S | . | . | trans | -72.2 | 144.8 | 176.3 | -56.5 | -57.6 | -80.4 | 0 | 0 | 110.3 | R230 V260 E266 | R230-M262 VanDerWaalsContact CZ-O 3.26Å; R230-M262 PolarHBondContact NE-O 2.92Å; R230-M262 PolarHBondContact NH2-O 2.9Å; R230-M262 PolarHBondContact O-N 3.36Å; V260-M262 HydrophobicContact CG1-SD 4.08Å; M262-E266 WeakPolarHBondContact CE-OE2 3.42Å | ||
| 263 | P | 79.6 | Confident | 76.2 | Confident | 66 Ų | 66 | 69.4 Ų | 69.4 | 43% | 0.429 | 41% | 0.413 | S | S | . | . | trans | -60.4 | 153.2 | 171.6 | 27.5 | -33.7 | 0 | 0 | 0 | 110.6 | E265 E266 | P263-E265 PolarHBondContact O-N 3.47Å; P263-E266 WeakPolarHBondContact CD-OE2 3.3Å; P263-E266 HydrophobicContact CG-CG 4.1Å; P263-E266 PolarHBondContact O-N 2.95Å | ||
| 264 | A | 64.3 | Low | 75.9 | Confident | 66 Ų | 66 | 64.6 Ų | 64.6 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -12.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 265 | E | 55.3 | Low | 75.8 | Confident | 179 Ų | 179 | 62 Ų | 62 | 84% | 0.836 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -13.6 | -177.4 | -59.5 | -174.4 | 172.1 | 0 | 0 | 112.7 | P263 Q267 | P263-E265 PolarHBondContact O-N 3.47Å; E265-Q267 PolarHBondContact O-N 2.99Å |
| 266 | E | 52.8 | Low | 75.7 | Confident | 107 Ų | 107 | 60.6 Ų | 60.6 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | trans | -102.8 | 31.2 | -173.2 | -67.6 | 174.7 | -178.4 | 0 | 0 | 112.6 | M262 P263 S268 | M262-E266 WeakPolarHBondContact CE-OE2 3.42Å; P263-E266 WeakPolarHBondContact CD-OE2 3.3Å; P263-E266 HydrophobicContact CG-CG 4.1Å; P263-E266 PolarHBondContact O-N 2.95Å; E266-S268 PolarHBondContact O-N 3.1Å | ||
| 267 | Q | 49.5 | Very low | 75.6 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 30% | 0.304 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -76.9 | 97.3 | -177.4 | -159.4 | 60.1 | 85.8 | 0 | 0 | 111.4 | P229 E265 | P229-Q267 HydrophobicContact CG-CG 4.46Å; P229-Q267 PolarHBondContact O-NE2 3.02Å; E265-Q267 PolarHBondContact O-N 2.99Å |
| 268 | S | 50.5 | Low | 75.4 | Confident | 81 Ų | 81 | 58.7 Ų | 58.7 | 57% | 0.566 | 35% | 0.345 | S | S | * | . | S | Bend | trans | 81.8 | 47.1 | 156.2 | -45 | 0 | 0 | 0 | 0 | 117.4 | E266 | E266-S268 PolarHBondContact O-N 3.1Š|
| 269 | C | 50.3 | Low | 75.1 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 16% | 0.162 | 33% | 0.333 | C | S | . | . | trans | -158.3 | 9 | -169.3 | -93.7 | 0 | 0 | 0 | 0 | 117 | S271 C273 L290 | C269-S271 VanDerWaalsContact C-N 3.27Å; C269-S271 PolarHBondContact O-N 3.34Å; C269-S271 VanDerWaalsContact O-N 3.07Å; C269-C273 WeakPolarHBondContact CA-SG 3.48Å; C269-C273 HydrophobicContact CB-CB 3.17Å; C269-C273 WeakPolarHBondContact CB-SG 3.35Å; C269-C273 WeakPolarHBondContact O-CB 2.91Å; C269-C273 PolarHBondContact O-N 1.99Å; C269-C273 WeakPolarHBondContact SG-CB 2.87Å; C269-C273 CovalentContact SG-SG 1.99Å; C269-C273 PolarHBondContact SG-SG 2.75Å; C269-L290 HydrophobicContact CB-CD2 3.56Å; C269-L290 HydrophobicContact CB-CG 4.21Å | ||
| 270 | S | 55.4 | Low | 74.9 | Confident | 125 Ų | 125 | 56.8 Ų | 56.8 | 87% | 0.874 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -13 | -161.6 | 50.5 | 0 | 0 | 0 | 0 | 116.5 | ||
| 271 | S | 59.2 | Low | 74.2 | Confident | 110 Ų | 110 | 63 Ų | 63 | 77% | 0.769 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135 | -21.3 | 173.3 | 62.7 | 0 | 0 | 0 | 0 | 114.8 | C269 | C269-S271 VanDerWaalsContact C-N 3.27Å; C269-S271 PolarHBondContact O-N 3.34Å; C269-S271 VanDerWaalsContact O-N 3.07Å |
| 272 | S | 73.1 | Confident | 73.3 | Confident | 32 Ų | 32 | 65 Ų | 65 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 1.8 | -174.6 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | H292 R293 | S272-H292 WeakPolarHBondContact CB-NE2 3.36Å; S272-H292 PolarHBondContact OG-CD2 2.76Å; S272-H292 VanDerWaalsContact OG-CD2 3.27Å; S272-H292 PolarHBondContact OG-CE1 3.26Å; S272-H292 PolarHBondContact OG-NE2 2.85Å; S272-R293 VanDerWaalsContact O-CB 3.25Å; S272-R293 WeakPolarHBondContact O-CB 3.21Å; S272-R293 WeakPolarHBondContact O-CG 3.44Å; S272-R293 PolarHBondContact O-N 3.08Å |
| 273 | C | 82.8 | Confident | 72.5 | Confident | 11 Ų | 11 | 71.8 Ų | 71.8 | 7% | 0.074 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 153.9 | 176.2 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | C269 L290 V291 H292 | C269-C273 WeakPolarHBondContact CA-SG 3.48Å; C269-C273 HydrophobicContact CB-CB 3.17Å; C269-C273 WeakPolarHBondContact CB-SG 3.35Å; C269-C273 WeakPolarHBondContact O-CB 2.91Å; C269-C273 PolarHBondContact O-N 1.99Å; C269-C273 WeakPolarHBondContact SG-CB 2.87Å; C269-C273 CovalentContact SG-SG 1.99Å; C269-C273 PolarHBondContact SG-SG 2.75Å; C273-L290 HydrophobicContact CB-CG 4.24Å; C273-V291 CarbonylContact C-O 3.51Å; C273-V291 WeakPolarHBondContact CA-O 3.25Å; C273-V291 VanDerWaalsContact CB-O 3.26Å; C273-V291 WeakPolarHBondContact CB-O 3.28Å; C273-H292 WeakPolarHBondContact SG-CA 3.42Å |
| 274 | V | 88.3 | Confident | 71.9 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 138.5 | -176.1 | 174.6 | 0 | 0 | 0 | 0 | 108.3 | L276 V291 R293 E337 D338 | V274-L276 HydrophobicContact CG1-CD2 3.64Å; V274-L276 HydrophobicContact CG1-CG 4.32Å; V274-V291 PolarHBondContact N-O 2.75Å; V274-V291 PolarHBondContact O-N 2.86Å; V274-R293 HydrophobicContact CG2-CG 3.65Å; V274-E337 WeakPolarHBondContact CG1-O 3.28Å; V274-D338 WeakPolarHBondContact CA-OD1 3.38Å |
| 275 | S | 89.9 | Confident | 72.4 | Confident | 36 Ų | 36 | 71.7 Ų | 71.7 | 25% | 0.252 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 114.8 | 173.4 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | D338 G339 | S275-D338 WeakPolarHBondContact CB-OD1 3.42Å; S275-D338 PolarHBondContact N-OD1 3.07Å; S275-D338 PolarHBondContact OG-OD1 2.94Å; S275-G339 PolarHBondContact O-N 3.22Å; S275-G339 PolarHBondContact OG-N 3.26Å |
| 276 | L | 91.5 | Very high | 73.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 138.4 | -178.5 | -56.7 | -179.7 | 0 | 0 | 0 | 110.9 | V274 L288 F289 V291 L297 L336 D340 I342 | V274-L276 HydrophobicContact CG1-CD2 3.64Å; V274-L276 HydrophobicContact CG1-CG 4.32Å; L276-L288 CarbonylContact O-C 3.6Å; L276-L288 WeakPolarHBondContact O-CA 3.33Å; L276-F289 PolarHBondContact N-O 2.81Å; L276-F289 PolarHBondContact O-N 3.27Å; L276-V291 HydrophobicContact CD1-CB 4.24Å; L276-V291 HydrophobicContact CD1-CG2 3.88Å; L276-V291 HydrophobicContact CG-CG2 4.28Å; L276-L297 HydrophobicContact CD1-CD2 3.9Å; L276-L336 HydrophobicContact CD1-CD1 3.63Å; L276-L336 HydrophobicContact CD2-CB 3.74Å; L276-L336 HydrophobicContact CD2-CD1 3.85Å; L276-L336 HydrophobicContact CD2-CD2 4.37Å; L276-L336 HydrophobicContact CD2-CG 4.2Å; L276-L336 HydrophobicContact CG-CD1 4.42Å; L276-D340 HydrophobicContact CD2-CB 4.11Å; L276-I342 HydrophobicContact CD1-CD1 4.11Å |
| 277 | K | 91.8 | Very high | 75.4 | Confident | 64 Ų | 64 | 62.6 Ų | 62.6 | 28% | 0.278 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 111.5 | 175.4 | -174.3 | 175.6 | -179.6 | 175.9 | 0 | 110.2 | Q279 S286 Q287 L288 D340 I341 I342 | K277-Q279 PolarHBondContact O-N 2.65Å; K277-S286 WeakPolarHBondContact CE-OG 3.07Å; K277-Q287 CarbonylContact C-O 3.58Å; K277-Q287 WeakPolarHBondContact CA-O 3.41Å; K277-L288 HydrophobicContact CB-CD2 3.97Å; K277-L288 HydrophobicContact CG-CD2 4.45Å; K277-D340 PolarHBondContact N-O 3.16Å; K277-I341 HydrophobicContact CB-CG1 4.24Å; K277-I341 HydrophobicContact CD-CG1 4.36Å; K277-I341 CarbonylContact O-C 3.54Å; K277-I341 VanDerWaalsContact O-CA 3.25Å; K277-I341 WeakPolarHBondContact O-CA 3.29Å; K277-I341 WeakPolarHBondContact O-CG2 3.21Å; K277-I342 PolarHBondContact O-N 2.76Å |
| 278 | L | 91.6 | Very high | 77.3 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 115.7 | 169.9 | -87.5 | 64.2 | 0 | 0 | 0 | 108.8 | S286 Q287 F289 V300 F301 F304 F318 I342 V344 | L278-S286 CarbonylContact O-C 3.57Å; L278-S286 VanDerWaalsContact O-CA 3.28Å; L278-S286 WeakPolarHBondContact O-CA 3.35Å; L278-Q287 PolarHBondContact N-O 2.78Å; L278-Q287 PolarHBondContact O-N 3.41Å; L278-F289 HydrophobicContact CB-CD2 4.33Å; L278-F289 HydrophobicContact CB-CE2 4.03Å; L278-F289 HydrophobicContact CD1-CD2 3.9Å; L278-F289 HydrophobicContact CD1-CE2 4.29Å; L278-F289 HydrophobicContact CD2-CD2 4.36Å; L278-F289 HydrophobicContact CD2-CE2 3.97Å; L278-F289 HydrophobicContact CG-CD2 4.42Å; L278-F289 HydrophobicContact CG-CE2 4.33Å; L278-V300 HydrophobicContact CD1-CG1 3.93Å; L278-V300 HydrophobicContact CD2-CG1 4.11Å; L278-F301 HydrophobicContact CD2-CD1 4.07Å; L278-F301 HydrophobicContact CD2-CE1 4.4Å; L278-F304 HydrophobicContact CB-CD2 3.99Å; L278-F304 HydrophobicContact CB-CE2 4.13Å; L278-F304 HydrophobicContact CD2-CB 3.69Å; L278-F304 HydrophobicContact CD2-CD1 4.29Å; L278-F304 HydrophobicContact CD2-CD2 3.88Å; L278-F304 HydrophobicContact CD2-CG 3.68Å; L278-F318 HydrophobicContact CD2-CD1 4.39Å; L278-F318 HydrophobicContact CD2-CE1 3.92Å; L278-I342 WeakPolarHBondContact CA-O 3.27Å; L278-I342 HydrophobicContact CD1-CB 4.06Å; L278-I342 HydrophobicContact CD1-CD1 4.16Å; L278-I342 HydrophobicContact CD1-CG1 4.47Å; L278-I342 HydrophobicContact CG-CB 4.2Å; L278-I342 HydrophobicContact CG-CG2 4.48Å; L278-V344 HydrophobicContact CB-CG2 4.19Å; L278-V344 HydrophobicContact CG-CG2 4.42Å |
| 279 | Q | 89.9 | Confident | 79.1 | Confident | 37 Ų | 37 | 62.5 Ų | 62.5 | 17% | 0.173 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 127.7 | -177.4 | -175 | 168.6 | 46.7 | 0 | 0 | 111.2 | K277 I341 I342 E343 V344 | K277-Q279 PolarHBondContact O-N 2.65Å; Q279-I341 HydrophobicContact CB-CG2 3.71Å; Q279-I342 PolarHBondContact N-O 3.41Å; Q279-E343 CarbonylContact O-C 3.58Å; Q279-E343 WeakPolarHBondContact O-CA 3.42Å; Q279-V344 PolarHBondContact O-N 3.42Å |
| 280 | S | 86.9 | Confident | 80.9 | Confident | 18 Ų | 18 | 65.9 Ų | 65.9 | 13% | 0.126 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 148 | 169.7 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | D282 R283 S285 | S280-D282 WeakPolarHBondContact CB-OD1 3.26Å; S280-D282 PolarHBondContact O-N 2.8Å; S280-D282 VanDerWaalsContact O-N 3.13Å; S280-D282 PolarHBondContact OG-OD1 2.79Å; S280-R283 WeakPolarHBondContact O-CA 3.14Å; S280-R283 PolarHBondContact O-N 2.87Å; S280-S285 PolarHBondContact N-O 2.85Å |
| 281 | R | 77.9 | Confident | 82.5 | Confident | 186 Ų | 186 | 60.3 Ų | 60.3 | 70% | 0.702 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -32.4 | -177.6 | 179.3 | 175.5 | 171.4 | 172 | -1 | 114 | R283 V344 | R281-R283 PolarHBondContact O-N 2.8Å; R281-V344 PolarHBondContact N-O 2.89Å |
| 282 | D | 72.6 | Confident | 83.8 | Confident | 101 Ų | 101 | 58.5 Ų | 58.5 | 54% | 0.54 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 1.6 | 178.1 | 64.6 | -19.9 | 0 | 0 | 0 | 113.6 | S280 S284 | S280-D282 WeakPolarHBondContact CB-OD1 3.26Å; S280-D282 PolarHBondContact O-N 2.8Å; S280-D282 VanDerWaalsContact O-N 3.13Å; S280-D282 PolarHBondContact OG-OD1 2.79Å; D282-S284 PolarHBondContact O-N 2.79Å; D282-S284 PolarHBondContact OD1-OG 2.92Å; D282-S284 WeakPolarHBondContact OD2-CB 3.48Å; D282-S284 PolarHBondContact OD2-OG 2.79Å |
| 283 | R | 69.9 | Low | 84.5 | Confident | 200 Ų | 200 | 61.4 Ų | 61.4 | 76% | 0.755 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 54.9 | 6.5 | -176.8 | -64.4 | -178.1 | 169.5 | 168.6 | -2.6 | 114.3 | S280 R281 | S280-R283 WeakPolarHBondContact O-CA 3.14Å; S280-R283 PolarHBondContact O-N 2.87Å; R281-R283 PolarHBondContact O-N 2.8Å |
| 284 | S | 65.6 | Low | 84.7 | Confident | 92 Ų | 92 | 66.3 Ų | 66.3 | 64% | 0.643 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -80.3 | -26.3 | -176.3 | 77.1 | 0 | 0 | 0 | 0 | 112.1 | D282 | D282-S284 PolarHBondContact O-N 2.79Å; D282-S284 PolarHBondContact OD1-OG 2.92Å; D282-S284 WeakPolarHBondContact OD2-CB 3.48Å; D282-S284 PolarHBondContact OD2-OG 2.79Å |
| 285 | S | 75.6 | Confident | 84.6 | Confident | 38 Ų | 38 | 68 Ų | 68 | 27% | 0.266 | 34% | 0.339 | S | S | . | . | trans | -125.5 | 113.5 | 178.4 | 169.2 | 0 | 0 | 0 | 0 | 110.1 | S280 | S280-S285 PolarHBondContact N-O 2.85Š| ||
| 286 | S | 85.1 | Confident | 84.7 | Confident | 59 Ų | 59 | 69.3 Ų | 69.3 | 41% | 0.413 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.4 | 166.9 | 65.8 | 0 | 0 | 0 | 0 | 111 | K277 L278 | K277-S286 WeakPolarHBondContact CE-OG 3.07Å; L278-S286 CarbonylContact O-C 3.57Å; L278-S286 VanDerWaalsContact O-CA 3.28Å; L278-S286 WeakPolarHBondContact O-CA 3.35Å |
| 287 | Q | 86.8 | Confident | 84.7 | Confident | 35 Ų | 35 | 69.3 Ų | 69.3 | 16% | 0.164 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132 | 180 | -66.4 | -177.8 | 36 | 0 | 0 | 109.6 | K277 L278 F289 F304 R307 | K277-Q287 CarbonylContact C-O 3.58Å; K277-Q287 WeakPolarHBondContact CA-O 3.41Å; L278-Q287 PolarHBondContact N-O 2.78Å; L278-Q287 PolarHBondContact O-N 3.41Å; Q287-F289 HydrophobicContact CB-CD2 4.26Å; Q287-F289 HydrophobicContact CB-CE2 3.46Å; Q287-F289 VanDerWaalsContact CB-CE2 3.46Å; Q287-F289 HydrophobicContact CB-CZ 3.93Å; Q287-F304 HydrophobicContact CB-CD2 4.33Å; Q287-F304 HydrophobicContact CG-CD2 4.36Å; Q287-F304 HydrophobicContact CG-CE2 4.31Å; Q287-R307 VanDerWaalsContact OE1-CD 3.23Å |
| 288 | L | 89.4 | Confident | 84.6 | Confident | 130 Ų | 130 | 68.8 Ų | 68.8 | 68% | 0.681 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 137.4 | 175 | -81.7 | 159.4 | 0 | 0 | 0 | 110 | L276 K277 | L276-L288 CarbonylContact O-C 3.6Å; L276-L288 WeakPolarHBondContact O-CA 3.33Å; K277-L288 HydrophobicContact CB-CD2 3.97Å; K277-L288 HydrophobicContact CG-CD2 4.45Å |
| 289 | F | 88.3 | Confident | 84.4 | Confident | 14 Ų | 14 | 72.7 Ų | 72.7 | 6% | 0.061 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 138.5 | 178.2 | -64.5 | -88.9 | 0 | 0 | 0 | 109.6 | L276 L278 Q287 V291 V300 Q303 F304 | L276-F289 PolarHBondContact N-O 2.81Å; L276-F289 PolarHBondContact O-N 3.27Å; L278-F289 HydrophobicContact CB-CD2 4.33Å; L278-F289 HydrophobicContact CB-CE2 4.03Å; L278-F289 HydrophobicContact CD1-CD2 3.9Å; L278-F289 HydrophobicContact CD1-CE2 4.29Å; L278-F289 HydrophobicContact CD2-CD2 4.36Å; L278-F289 HydrophobicContact CD2-CE2 3.97Å; L278-F289 HydrophobicContact CG-CD2 4.42Å; L278-F289 HydrophobicContact CG-CE2 4.33Å; Q287-F289 HydrophobicContact CB-CD2 4.26Å; Q287-F289 HydrophobicContact CB-CE2 3.46Å; Q287-F289 VanDerWaalsContact CB-CE2 3.46Å; Q287-F289 HydrophobicContact CB-CZ 3.93Å; F289-V291 HydrophobicContact CB-CG2 4.15Å; F289-V300 HydrophobicContact CB-CG1 3.78Å; F289-V300 HydrophobicContact CD1-CG1 3.9Å; F289-V300 HydrophobicContact CD2-CG1 3.81Å; F289-V300 HydrophobicContact CE1-CG1 4.41Å; F289-V300 HydrophobicContact CE2-CG1 4.31Å; F289-V300 HydrophobicContact CG-CG1 3.56Å; F289-Q303 HydrophobicContact CE1-CB 4.13Å; F289-Q303 HydrophobicContact CE1-CG 3.91Å; F289-F304 HydrophobicContact CE2-CB 4.34Å; F289-F304 HydrophobicContact CE2-CD2 4.11Å; F289-F304 HydrophobicContact CZ-CB 3.97Å; F289-F304 HydrophobicContact CZ-CD2 4.23Å |
| 290 | L | 88 | Confident | 84.4 | Confident | 96 Ų | 96 | 71.2 Ų | 71.2 | 50% | 0.503 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 126 | 172.2 | -165.4 | 77.6 | 0 | 0 | 0 | 108.6 | C269 C273 | C269-L290 HydrophobicContact CB-CD2 3.56Å; C269-L290 HydrophobicContact CB-CG 4.21Å; C273-L290 HydrophobicContact CB-CG 4.24Å |
| 291 | V | 88.5 | Confident | 84.5 | Confident | 8 Ų | 8 | 70.9 Ų | 70.9 | 5% | 0.048 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 136.6 | -169.7 | -163.8 | 0 | 0 | 0 | 0 | 111.1 | C273 V274 L276 F289 L297 V300 | C273-V291 CarbonylContact C-O 3.51Å; C273-V291 WeakPolarHBondContact CA-O 3.25Å; C273-V291 VanDerWaalsContact CB-O 3.26Å; C273-V291 WeakPolarHBondContact CB-O 3.28Å; V274-V291 PolarHBondContact N-O 2.75Å; V274-V291 PolarHBondContact O-N 2.86Å; L276-V291 HydrophobicContact CD1-CB 4.24Å; L276-V291 HydrophobicContact CD1-CG2 3.88Å; L276-V291 HydrophobicContact CG-CG2 4.28Å; F289-V291 HydrophobicContact CB-CG2 4.15Å; V291-L297 HydrophobicContact CG1-CD2 3.86Å; V291-V300 HydrophobicContact CB-CG2 4.29Å; V291-V300 HydrophobicContact CG1-CG2 3.93Å; V291-V300 HydrophobicContact CG2-CG2 3.35Å |
| 292 | H | 87.3 | Confident | 85 | Confident | 71 Ų | 71 | 65.6 Ų | 65.6 | 33% | 0.329 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 138.1 | 175.4 | -157.7 | -78.1 | 0 | 0 | 0 | 111.5 | S272 C273 E294 A295 | S272-H292 WeakPolarHBondContact CB-NE2 3.36Å; S272-H292 PolarHBondContact OG-CD2 2.76Å; S272-H292 VanDerWaalsContact OG-CD2 3.27Å; S272-H292 PolarHBondContact OG-CE1 3.26Å; S272-H292 PolarHBondContact OG-NE2 2.85Å; C273-H292 WeakPolarHBondContact SG-CA 3.42Å; H292-E294 VanDerWaalsContact C-N 3.27Å; H292-E294 IonicContact CE1-OE2 3.74Å; H292-E294 PolarHBondContact CE1-OE2 2.94Å; H292-E294 IonicContact ND1-OE2 3.58Å; H292-E294 PolarHBondContact ND1-OE2 3.09Å; H292-E294 PolarHBondContact O-N 3.13Å; H292-A295 HydrophobicContact CB-CB 3.76Å; H292-A295 PolarHBondContact O-N 3.49Å |
| 293 | R | 87.4 | Confident | 85.8 | Confident | 93 Ų | 93 | 64.8 Ų | 64.8 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -39.8 | -176.6 | -85.7 | -174 | 159.5 | -175 | -6.6 | 113 | S272 V274 T330 A331 A332 | S272-R293 VanDerWaalsContact O-CB 3.25Å; S272-R293 WeakPolarHBondContact O-CB 3.21Å; S272-R293 WeakPolarHBondContact O-CG 3.44Å; S272-R293 PolarHBondContact O-N 3.08Å; V274-R293 HydrophobicContact CG2-CG 3.65Å; R293-T330 VanDerWaalsContact O-CB 3.26Å; R293-T330 WeakPolarHBondContact O-CB 3.38Å; R293-T330 PolarHBondContact O-OG1 2.82Å; R293-A331 PolarHBondContact O-N 2.85Å; R293-A332 HydrophobicContact CB-CB 4.2Å; R293-A332 WeakPolarHBondContact O-CB 3.43Å; R293-A332 PolarHBondContact O-N 2.91Å |
| 294 | E | 86.6 | Confident | 86.6 | Confident | 115 Ų | 115 | 55.4 Ų | 55.4 | 54% | 0.537 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -5.2 | -178.2 | -59.8 | 70.1 | -152.6 | 0 | 0 | 113.4 | H292 T330 | H292-E294 VanDerWaalsContact C-N 3.27Å; H292-E294 IonicContact CE1-OE2 3.74Å; H292-E294 PolarHBondContact CE1-OE2 2.94Å; H292-E294 IonicContact ND1-OE2 3.58Å; H292-E294 PolarHBondContact ND1-OE2 3.09Å; H292-E294 PolarHBondContact O-N 3.13Å; E294-T330 VanDerWaalsContact O-CG2 3.31Å; E294-T330 WeakPolarHBondContact O-CG2 3.29Å |
| 295 | A | 86.8 | Confident | 87.6 | Confident | 35 Ų | 35 | 52.9 Ų | 52.9 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -85.5 | 147 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | H292 T330 | H292-A295 HydrophobicContact CB-CB 3.76Å; H292-A295 PolarHBondContact O-N 3.49Å; A295-T330 WeakPolarHBondContact O-CA 3.16Å; A295-T330 WeakPolarHBondContact O-CB 3.43Å |
| 296 | P | 91.6 | Very high | 88.1 | Confident | 63 Ų | 63 | 54.3 Ų | 54.3 | 41% | 0.409 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -68.7 | 141.1 | 175.9 | 27.6 | -33.6 | 0 | 0 | 0 | 111.6 | S298 Q329 | P296-S298 PolarHBondContact O-N 3.32Å; P296-S298 VanDerWaalsContact O-N 3.13Å; P296-Q329 WeakPolarHBondContact CA-O 3.45Å |
| 297 | L | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -5.2 | 179.9 | -63.1 | -179.5 | 0 | 0 | 0 | 114 | L276 V291 S299 V300 F301 V325 G327 Q329 A331 L334 L336 I342 | L276-L297 HydrophobicContact CD1-CD2 3.9Å; V291-L297 HydrophobicContact CG1-CD2 3.86Å; L297-S299 VanDerWaalsContact C-N 3.27Å; L297-S299 PolarHBondContact O-N 2.86Å; L297-V300 WeakPolarHBondContact O-CB 3.37Å; L297-V300 PolarHBondContact O-N 3.48Å; L297-V300 VanDerWaalsContact O-N 3.13Å; L297-F301 HydrophobicContact CB-CD2 4.34Å; L297-F301 HydrophobicContact CB-CE1 4.23Å; L297-F301 HydrophobicContact CB-CE2 3.85Å; L297-F301 HydrophobicContact CB-CZ 3.79Å; L297-F301 HydrophobicContact CD1-CZ 3.94Å; L297-F301 WeakPolarHBondContact O-CG 3.42Å; L297-F301 PolarHBondContact O-N 2.89Å; L297-V325 HydrophobicContact CD1-CG1 3.81Å; L297-G327 PolarHBondContact N-O 2.9Å; L297-Q329 WeakPolarHBondContact CG-O 3.44Å; L297-Q329 PolarHBondContact N-O 3.4Å; L297-A331 HydrophobicContact CD2-CB 4.4Å; L297-L334 HydrophobicContact CD1-CD1 3.58Å; L297-L336 HydrophobicContact CD1-CD1 4.14Å; L297-I342 HydrophobicContact CD1-CD1 4.2Å |
| 298 | S | 89.3 | Confident | 87.7 | Confident | 53 Ų | 53 | 58.8 Ų | 58.8 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -55.7 | -38.1 | -178 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | P296 S302 G327 | P296-S298 PolarHBondContact O-N 3.32Å; P296-S298 VanDerWaalsContact O-N 3.13Å; S298-S302 VanDerWaalsContact O-CB 3.29Å; S298-S302 WeakPolarHBondContact O-CB 3.47Å; S298-S302 PolarHBondContact O-N 2.73Å; S298-S302 PolarHBondContact O-OG 2.91Å; S298-G327 WeakPolarHBondContact CA-O 3.25Å; S298-G327 VanDerWaalsContact CB-O 3.25Å; S298-G327 WeakPolarHBondContact CB-O 3.43Å; S298-G327 PolarHBondContact N-O 3.1Å |
| 299 | S | 88.5 | Confident | 87.1 | Confident | 82 Ų | 82 | 57 Ų | 57 | 57% | 0.573 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -62.7 | -46.8 | 178.2 | -173.9 | 0 | 0 | 0 | 0 | 111 | L297 S302 Q303 | L297-S299 VanDerWaalsContact C-N 3.27Å; L297-S299 PolarHBondContact O-N 2.86Å; S299-S302 PolarHBondContact O-N 3.31Å; S299-Q303 WeakPolarHBondContact O-CB 3.41Å; S299-Q303 PolarHBondContact O-N 3.34Å |
| 300 | V | 89.4 | Confident | 86.4 | Confident | 7 Ų | 7 | 59.9 Ų | 59.9 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 180 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | L278 F289 V291 L297 S302 Q303 F304 | L278-V300 HydrophobicContact CD1-CG1 3.93Å; L278-V300 HydrophobicContact CD2-CG1 4.11Å; F289-V300 HydrophobicContact CB-CG1 3.78Å; F289-V300 HydrophobicContact CD1-CG1 3.9Å; F289-V300 HydrophobicContact CD2-CG1 3.81Å; F289-V300 HydrophobicContact CE1-CG1 4.41Å; F289-V300 HydrophobicContact CE2-CG1 4.31Å; F289-V300 HydrophobicContact CG-CG1 3.56Å; V291-V300 HydrophobicContact CB-CG2 4.29Å; V291-V300 HydrophobicContact CG1-CG2 3.93Å; V291-V300 HydrophobicContact CG2-CG2 3.35Å; L297-V300 WeakPolarHBondContact O-CB 3.37Å; L297-V300 PolarHBondContact O-N 3.48Å; L297-V300 VanDerWaalsContact O-N 3.13Å; V300-S302 PolarHBondContact O-N 3.47Å; V300-Q303 PolarHBondContact O-N 2.89Å; V300-F304 WeakPolarHBondContact O-CB 3.37Å; V300-F304 PolarHBondContact O-N 3.24Å |
| 301 | F | 90.1 | Very high | 85.5 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 4% | 0.044 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 177.2 | -63.9 | -15.9 | 0 | 0 | 0 | 111.7 | L278 L297 Q303 F304 L305 F318 V325 I342 | L278-F301 HydrophobicContact CD2-CD1 4.07Å; L278-F301 HydrophobicContact CD2-CE1 4.4Å; L297-F301 HydrophobicContact CB-CD2 4.34Å; L297-F301 HydrophobicContact CB-CE1 4.23Å; L297-F301 HydrophobicContact CB-CE2 3.85Å; L297-F301 HydrophobicContact CB-CZ 3.79Å; L297-F301 HydrophobicContact CD1-CZ 3.94Å; L297-F301 WeakPolarHBondContact O-CG 3.42Å; L297-F301 PolarHBondContact O-N 2.89Å; F301-Q303 VanDerWaalsContact C-N 3.35Å; F301-Q303 PolarHBondContact O-N 3Å; F301-F304 PolarHBondContact O-N 3.31Å; F301-L305 WeakPolarHBondContact O-CB 3.47Å; F301-L305 WeakPolarHBondContact O-CG 3.08Å; F301-L305 PolarHBondContact O-N 3.31Å; F301-F318 HydrophobicContact CB-CD2 4.42Å; F301-F318 HydrophobicContact CB-CE2 3.74Å; F301-F318 HydrophobicContact CB-CZ 3.8Å; F301-F318 AromaticContact CD1-CD1 3.78Å; F301-F318 HydrophobicContact CD1-CD1 3.78Å; F301-F318 HydrophobicContact CD1-CD2 4.06Å; F301-F318 AromaticContact CD1-CE1 3.72Å; F301-F318 HydrophobicContact CD1-CE1 3.72Å; F301-F318 HydrophobicContact CD1-CE2 4.02Å; F301-F318 AromaticContact CD1-CG 3.95Å; F301-F318 HydrophobicContact CD1-CG 3.95Å; F301-F318 AromaticContact CD1-CZ 3.85Å; F301-F318 HydrophobicContact CD1-CZ 3.85Å; F301-F318 AromaticContact CD2-CD2 3.76Å; F301-F318 HydrophobicContact CD2-CD2 3.76Å; F301-F318 AromaticContact CD2-CE2 3.94Å; F301-F318 HydrophobicContact CD2-CE2 3.94Å; F301-F318 HydrophobicContact CD2-CG 4.25Å; F301-F318 HydrophobicContact CE1-CB 4.19Å; F301-F318 AromaticContact CE1-CD1 3.73Å; F301-F318 HydrophobicContact CE1-CD1 3.73Å; F301-F318 HydrophobicContact CE1-CD2 4.24Å; F301-F318 HydrophobicContact CE1-CE1 4.16Å; F301-F318 AromaticContact CE1-CG 3.78Å; F301-F318 HydrophobicContact CE1-CG 3.78Å; F301-F318 HydrophobicContact CE2-CB 4.25Å; F301-F318 AromaticContact CE2-CD2 3.95Å; F301-F318 HydrophobicContact CE2-CD2 3.95Å; F301-F318 HydrophobicContact CE2-CG 4.09Å; F301-F318 HydrophobicContact CG-CD1 4.36Å; F301-F318 AromaticContact CG-CD2 3.83Å; F301-F318 HydrophobicContact CG-CD2 3.83Å; F301-F318 HydrophobicContact CG-CE1 4.19Å; F301-F318 AromaticContact CG-CE2 3.64Å; F301-F318 HydrophobicContact CG-CE2 3.64Å; F301-F318 HydrophobicContact CG-CG 4.19Å; F301-F318 AromaticContact CG-CZ 3.83Å; F301-F318 HydrophobicContact CG-CZ 3.83Å; F301-F318 HydrophobicContact CZ-CB 3.89Å; F301-F318 HydrophobicContact CZ-CD1 4.28Å; F301-F318 HydrophobicContact CZ-CD2 4.19Å; F301-F318 AromaticContact CZ-CG 3.85Å; F301-F318 HydrophobicContact CZ-CG 3.85Å; F301-V325 HydrophobicContact CE2-CG1 3.93Å; F301-V325 HydrophobicContact CZ-CB 4.32Å; F301-V325 HydrophobicContact CZ-CG1 3.65Å; F301-I342 HydrophobicContact CE1-CD1 4.14Å; F301-I342 HydrophobicContact CE1-CG2 4.36Å; F301-I342 HydrophobicContact CZ-CD1 4.41Å |
| 302 | S | 88.3 | Confident | 84.7 | Confident | 75 Ų | 75 | 59.8 Ų | 59.8 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 177 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | S298 S299 V300 L305 S306 | S298-S302 VanDerWaalsContact O-CB 3.29Å; S298-S302 WeakPolarHBondContact O-CB 3.47Å; S298-S302 PolarHBondContact O-N 2.73Å; S298-S302 PolarHBondContact O-OG 2.91Å; S299-S302 PolarHBondContact O-N 3.31Å; V300-S302 PolarHBondContact O-N 3.47Å; S302-L305 PolarHBondContact O-N 2.94Å; S302-S306 WeakPolarHBondContact O-CB 3.41Å; S302-S306 PolarHBondContact O-N 3.13Å |
| 303 | Q | 87.8 | Confident | 84.1 | Confident | 85 Ų | 85 | 61.7 Ų | 61.7 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 176.6 | -170.2 | 179.7 | 2.9 | 0 | 0 | 111.4 | F289 S299 V300 F301 S306 | F289-Q303 HydrophobicContact CE1-CB 4.13Å; F289-Q303 HydrophobicContact CE1-CG 3.91Å; S299-Q303 WeakPolarHBondContact O-CB 3.41Å; S299-Q303 PolarHBondContact O-N 3.34Å; V300-Q303 PolarHBondContact O-N 2.89Å; F301-Q303 VanDerWaalsContact C-N 3.35Å; F301-Q303 PolarHBondContact O-N 3Å; Q303-S306 PolarHBondContact O-N 3.13Å; Q303-S306 PolarHBondContact O-OG 2.87Å |
| 304 | F | 87.7 | Confident | 83.4 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.009 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 175.1 | -178.6 | -93.8 | 0 | 0 | 0 | 112.1 | L278 Q287 F289 V300 F301 S306 R307 L308 F318 V344 | L278-F304 HydrophobicContact CB-CD2 3.99Å; L278-F304 HydrophobicContact CB-CE2 4.13Å; L278-F304 HydrophobicContact CD2-CB 3.69Å; L278-F304 HydrophobicContact CD2-CD1 4.29Å; L278-F304 HydrophobicContact CD2-CD2 3.88Å; L278-F304 HydrophobicContact CD2-CG 3.68Å; Q287-F304 HydrophobicContact CB-CD2 4.33Å; Q287-F304 HydrophobicContact CG-CD2 4.36Å; Q287-F304 HydrophobicContact CG-CE2 4.31Å; F289-F304 HydrophobicContact CE2-CB 4.34Å; F289-F304 HydrophobicContact CE2-CD2 4.11Å; F289-F304 HydrophobicContact CZ-CB 3.97Å; F289-F304 HydrophobicContact CZ-CD2 4.23Å; V300-F304 WeakPolarHBondContact O-CB 3.37Å; V300-F304 PolarHBondContact O-N 3.24Å; F301-F304 PolarHBondContact O-N 3.31Å; F304-S306 VanDerWaalsContact C-N 3.27Å; F304-S306 PolarHBondContact O-N 2.56Å; F304-R307 PolarHBondContact O-N 2.58Å; F304-R307 VanDerWaalsContact O-N 3.16Å; F304-L308 HydrophobicContact CD1-CD1 3.94Å; F304-L308 HydrophobicContact CE1-CD1 3.44Å; F304-L308 VanDerWaalsContact CE1-CD1 3.44Å; F304-L308 HydrophobicContact CE1-CG 4.13Å; F304-L308 HydrophobicContact CZ-CD1 4.26Å; F304-L308 PolarHBondContact O-N 2.88Å; F304-F318 HydrophobicContact CD1-CE1 4.04Å; F304-F318 HydrophobicContact CD1-CZ 4.26Å; F304-F318 HydrophobicContact CE1-CE1 4.49Å; F304-V344 HydrophobicContact CD1-CG1 4.49Å; F304-V344 HydrophobicContact CD1-CG2 4.43Å; F304-V344 HydrophobicContact CE1-CB 4.17Å; F304-V344 HydrophobicContact CE1-CG1 3.53Å; F304-V344 HydrophobicContact CE1-CG2 3.77Å; F304-V344 HydrophobicContact CE2-CG2 4.43Å; F304-V344 HydrophobicContact CZ-CB 4.23Å; F304-V344 HydrophobicContact CZ-CG1 3.98Å; F304-V344 HydrophobicContact CZ-CG2 3.76Å |
| 305 | L | 86.8 | Confident | 83.1 | Confident | 39 Ų | 39 | 66 Ų | 66 | 20% | 0.204 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.5 | -31.1 | 178.3 | -69 | 173.3 | 0 | 0 | 0 | 112.8 | F301 S302 R307 L308 R313 V316 F318 | F301-L305 WeakPolarHBondContact O-CB 3.47Å; F301-L305 WeakPolarHBondContact O-CG 3.08Å; F301-L305 PolarHBondContact O-N 3.31Å; S302-L305 PolarHBondContact O-N 2.94Å; L305-R307 PolarHBondContact O-N 3.13Å; L305-L308 HydrophobicContact CD2-CD1 4.08Å; L305-L308 PolarHBondContact O-N 2.9Å; L305-L308 VanDerWaalsContact O-N 3.13Å; L305-R313 PolarHBondContact O-NE 3.27Å; L305-R313 VanDerWaalsContact O-NE 3.08Å; L305-V316 HydrophobicContact CD2-CB 3.71Å; L305-V316 HydrophobicContact CD2-CG1 3.85Å; L305-V316 HydrophobicContact CD2-CG2 3.7Å; L305-F318 HydrophobicContact CD2-CZ 4.33Å; L305-F318 HydrophobicContact CG-CZ 4.27Å |
| 306 | S | 85.8 | Confident | 83.1 | Confident | 69 Ų | 69 | 65.4 Ų | 65.4 | 48% | 0.483 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.4 | -28.9 | 177.3 | 78.5 | 0 | 0 | 0 | 0 | 112.7 | S302 Q303 F304 R313 | S302-S306 WeakPolarHBondContact O-CB 3.41Å; S302-S306 PolarHBondContact O-N 3.13Å; Q303-S306 PolarHBondContact O-N 3.13Å; Q303-S306 PolarHBondContact O-OG 2.87Å; F304-S306 VanDerWaalsContact C-N 3.27Å; F304-S306 PolarHBondContact O-N 2.56Å; S306-R313 PolarHBondContact O-NH2 3.2Å |
| 307 | R | 81.3 | Confident | 83 | Confident | 154 Ų | 154 | 68.8 Ų | 68.8 | 58% | 0.581 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -86.2 | -17.7 | 179 | -64.1 | 172.4 | 175.7 | -168 | -5 | 112.8 | Q287 F304 L305 | Q287-R307 VanDerWaalsContact OE1-CD 3.23Å; F304-R307 PolarHBondContact O-N 2.58Å; F304-R307 VanDerWaalsContact O-N 3.16Å; L305-R307 PolarHBondContact O-N 3.13Å |
| 308 | L | 81.3 | Confident | 83 | Confident | 34 Ų | 34 | 69.5 Ų | 69.5 | 18% | 0.178 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -80.1 | 149 | 176.4 | -77.8 | 171.6 | 0 | 0 | 0 | 112 | F304 L305 R313 V316 | F304-L308 HydrophobicContact CD1-CD1 3.94Å; F304-L308 HydrophobicContact CE1-CD1 3.44Å; F304-L308 VanDerWaalsContact CE1-CD1 3.44Å; F304-L308 HydrophobicContact CE1-CG 4.13Å; F304-L308 HydrophobicContact CZ-CD1 4.26Å; F304-L308 PolarHBondContact O-N 2.88Å; L305-L308 HydrophobicContact CD2-CD1 4.08Å; L305-L308 PolarHBondContact O-N 2.9Å; L305-L308 VanDerWaalsContact O-N 3.13Å; L308-R313 HydrophobicContact CB-CG 4.38Å; L308-R313 PolarHBondContact O-NE 2.85Å; L308-R313 PolarHBondContact O-NH2 2.85Å; L308-V316 HydrophobicContact CD1-CG2 3.83Å |
| 309 | P | 78.2 | Confident | 83.2 | Confident | 93 Ų | 93 | 68.4 Ų | 68.4 | 60% | 0.604 | 37% | 0.371 | S | S | * | . | trans | -63.4 | 144.8 | 174.5 | 24.6 | -31.5 | 0 | 0 | 0 | 111.2 | G311 A312 R313 | P309-G311 PolarHBondContact O-N 3.48Å; P309-A312 HydrophobicContact CG-CB 4.24Å; P309-A312 PolarHBondContact O-N 2.8Å; P309-R313 PolarHBondContact O-N 2.91Å | ||
| 310 | A | 72.5 | Confident | 83.4 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 60% | 0.603 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -31.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 311 | G | 70.3 | Confident | 83.3 | Confident | 74 Ų | 74 | 73.3 Ų | 73.3 | 76% | 0.763 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -31.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | P309 | P309-G311 PolarHBondContact O-N 3.48Š|
| 312 | A | 70.7 | Confident | 83.1 | Confident | 28 Ų | 28 | 76.2 Ų | 76.2 | 23% | 0.231 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -26.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P309 R314 S315 V316 | P309-A312 HydrophobicContact CG-CB 4.24Å; P309-A312 PolarHBondContact O-N 2.8Å; A312-R314 PolarHBondContact O-N 3.07Å; A312-R314 VanDerWaalsContact O-N 3.1Å; A312-S315 PolarHBondContact O-N 3.24Å; A312-V316 WeakPolarHBondContact O-CG2 3.31Å |
| 313 | R | 74.8 | Confident | 83.2 | Confident | 112 Ų | 112 | 76.4 Ų | 76.4 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.1 | -173.2 | -64 | -179.8 | -171.8 | -174.2 | -3.3 | 114.4 | L305 S306 L308 P309 | L305-R313 PolarHBondContact O-NE 3.27Å; L305-R313 VanDerWaalsContact O-NE 3.08Å; S306-R313 PolarHBondContact O-NH2 3.2Å; L308-R313 HydrophobicContact CB-CG 4.38Å; L308-R313 PolarHBondContact O-NE 2.85Å; L308-R313 PolarHBondContact O-NH2 2.85Å; P309-R313 PolarHBondContact O-N 2.91Å |
| 314 | R | 73.4 | Confident | 83.4 | Confident | 247 Ų | 247 | 79.3 Ų | 79.3 | 93% | 0.932 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -17.2 | -175.3 | -69.3 | -175.6 | 177.7 | 178.4 | -0.4 | 114.2 | A312 | A312-R314 PolarHBondContact O-N 3.07Å; A312-R314 VanDerWaalsContact O-N 3.1Å |
| 315 | S | 79.1 | Confident | 83.6 | Confident | 51 Ų | 51 | 79.5 Ų | 79.5 | 36% | 0.357 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -10.5 | -177.4 | -167.3 | 0 | 0 | 0 | 0 | 113.4 | A312 R317 T346 | A312-S315 PolarHBondContact O-N 3.24Å; S315-R317 PolarHBondContact O-N 3.41Å; S315-T346 WeakPolarHBondContact CB-OXT 3.49Å; S315-T346 PolarHBondContact OG-OXT 3.18Å |
| 316 | V | 87.1 | Confident | 83.8 | Confident | 22 Ų | 22 | 79.7 Ų | 79.7 | 13% | 0.133 | 44% | 0.443 | C | S | . | . | trans | -65.1 | 130.2 | -173.6 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | L305 L308 A312 F318 V344 W345 T346 | L305-V316 HydrophobicContact CD2-CB 3.71Å; L305-V316 HydrophobicContact CD2-CG1 3.85Å; L305-V316 HydrophobicContact CD2-CG2 3.7Å; L308-V316 HydrophobicContact CD1-CG2 3.83Å; A312-V316 WeakPolarHBondContact O-CG2 3.31Å; V316-F318 HydrophobicContact CG1-CE1 4.11Å; V316-F318 HydrophobicContact CG1-CE2 3.94Å; V316-F318 HydrophobicContact CG1-CZ 3.71Å; V316-V344 HydrophobicContact CG1-CG1 3.51Å; V316-W345 CarbonylContact C-O 3.52Å; V316-W345 VanDerWaalsContact CA-O 3.27Å; V316-W345 WeakPolarHBondContact CA-O 3.17Å; V316-T346 HydrophobicContact CG2-CG2 3.83Å | ||
| 317 | R | 89.2 | Confident | 83.9 | Confident | 135 Ų | 135 | 77.5 Ų | 77.5 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.9 | 173.1 | -72.6 | 175.2 | -93.7 | -154.4 | -5.4 | 109.3 | S315 W345 | S315-R317 PolarHBondContact O-N 3.41Å; R317-W345 HydrophobicContact CB-CB 4.36Å; R317-W345 PolarHBondContact N-O 3.17Å; R317-W345 WeakPolarHBondContact O-CB 3.49Å; R317-W345 PolarHBondContact O-N 3.07Å |
| 318 | F | 91.8 | Very high | 84.3 | Confident | 14 Ų | 14 | 74.8 Ų | 74.8 | 6% | 0.061 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 135 | 178.3 | -59 | -81.8 | 0 | 0 | 0 | 109.4 | L278 F301 F304 L305 V316 K324 V325 I342 E343 V344 | L278-F318 HydrophobicContact CD2-CD1 4.39Å; L278-F318 HydrophobicContact CD2-CE1 3.92Å; F301-F318 HydrophobicContact CB-CD2 4.42Å; F301-F318 HydrophobicContact CB-CE2 3.74Å; F301-F318 HydrophobicContact CB-CZ 3.8Å; F301-F318 AromaticContact CD1-CD1 3.78Å; F301-F318 HydrophobicContact CD1-CD1 3.78Å; F301-F318 HydrophobicContact CD1-CD2 4.06Å; F301-F318 AromaticContact CD1-CE1 3.72Å; F301-F318 HydrophobicContact CD1-CE1 3.72Å; F301-F318 HydrophobicContact CD1-CE2 4.02Å; F301-F318 AromaticContact CD1-CG 3.95Å; F301-F318 HydrophobicContact CD1-CG 3.95Å; F301-F318 AromaticContact CD1-CZ 3.85Å; F301-F318 HydrophobicContact CD1-CZ 3.85Å; F301-F318 AromaticContact CD2-CD2 3.76Å; F301-F318 HydrophobicContact CD2-CD2 3.76Å; F301-F318 AromaticContact CD2-CE2 3.94Å; F301-F318 HydrophobicContact CD2-CE2 3.94Å; F301-F318 HydrophobicContact CD2-CG 4.25Å; F301-F318 HydrophobicContact CE1-CB 4.19Å; F301-F318 AromaticContact CE1-CD1 3.73Å; F301-F318 HydrophobicContact CE1-CD1 3.73Å; F301-F318 HydrophobicContact CE1-CD2 4.24Å; F301-F318 HydrophobicContact CE1-CE1 4.16Å; F301-F318 AromaticContact CE1-CG 3.78Å; F301-F318 HydrophobicContact CE1-CG 3.78Å; F301-F318 HydrophobicContact CE2-CB 4.25Å; F301-F318 AromaticContact CE2-CD2 3.95Å; F301-F318 HydrophobicContact CE2-CD2 3.95Å; F301-F318 HydrophobicContact CE2-CG 4.09Å; F301-F318 HydrophobicContact CG-CD1 4.36Å; F301-F318 AromaticContact CG-CD2 3.83Å; F301-F318 HydrophobicContact CG-CD2 3.83Å; F301-F318 HydrophobicContact CG-CE1 4.19Å; F301-F318 AromaticContact CG-CE2 3.64Å; F301-F318 HydrophobicContact CG-CE2 3.64Å; F301-F318 HydrophobicContact CG-CG 4.19Å; F301-F318 AromaticContact CG-CZ 3.83Å; F301-F318 HydrophobicContact CG-CZ 3.83Å; F301-F318 HydrophobicContact CZ-CB 3.89Å; F301-F318 HydrophobicContact CZ-CD1 4.28Å; F301-F318 HydrophobicContact CZ-CD2 4.19Å; F301-F318 AromaticContact CZ-CG 3.85Å; F301-F318 HydrophobicContact CZ-CG 3.85Å; F304-F318 HydrophobicContact CD1-CE1 4.04Å; F304-F318 HydrophobicContact CD1-CZ 4.26Å; F304-F318 HydrophobicContact CE1-CE1 4.49Å; L305-F318 HydrophobicContact CD2-CZ 4.33Å; L305-F318 HydrophobicContact CG-CZ 4.27Å; V316-F318 HydrophobicContact CG1-CE1 4.11Å; V316-F318 HydrophobicContact CG1-CE2 3.94Å; V316-F318 HydrophobicContact CG1-CZ 3.71Å; F318-K324 WeakPolarHBondContact O-CA 3.25Å; F318-V325 HydrophobicContact CB-CB 4.21Å; F318-V325 PolarHBondContact O-N 2.76Å; F318-I342 HydrophobicContact CB-CG2 3.97Å; F318-I342 HydrophobicContact CD1-CG2 4.14Å; F318-E343 CarbonylContact C-O 3.59Å; F318-E343 WeakPolarHBondContact CA-O 3.49Å; F318-V344 HydrophobicContact CD1-CG2 3.94Å; F318-V344 HydrophobicContact CE1-CG1 4.34Å; F318-V344 HydrophobicContact CE1-CG2 3.86Å |
| 319 | H | 92.5 | Very high | 84.8 | Confident | 30 Ų | 30 | 75.7 Ų | 75.7 | 14% | 0.139 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 143.3 | 176.1 | -63.6 | 81.4 | 0 | 0 | 0 | 110.7 | S323 I342 E343 W345 | H319-S323 CarbonylContact C-O 3.47Å; H319-S323 WeakPolarHBondContact CA-O 3.36Å; H319-I342 CarbonylContact O-C 3.57Å; H319-E343 HydrophobicContact CB-CB 4.43Å; H319-E343 PolarHBondContact N-O 3.44Å; H319-E343 PolarHBondContact O-N 2.84Å; H319-W345 AromaticContact ND1-CD1 3.5Å; H319-W345 AromaticContact ND1-CG 3.6Å; H319-W345 AromaticContact ND1-NE1 3.88Å |
| 320 | F | 92.6 | Very high | 85.5 | Confident | 42 Ų | 42 | 72.1 Ų | 72.1 | 18% | 0.184 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 129.6 | 171.4 | 177.9 | -107.2 | 0 | 0 | 0 | 107.1 | G322 S323 V325 L334 L336 D340 | F320-G322 PolarHBondContact O-N 3.22Å; F320-S323 PolarHBondContact N-O 2.95Å; F320-S323 PolarHBondContact O-N 3.04Å; F320-V325 HydrophobicContact CB-CG2 3.53Å; F320-L334 VanDerWaalsContact CE1-O 3.29Å; F320-L334 WeakPolarHBondContact CE1-O 3.29Å; F320-L336 HydrophobicContact CD1-CD2 3.75Å; F320-L336 HydrophobicContact CD2-CD2 3.44Å; F320-L336 VanDerWaalsContact CD2-CD2 3.44Å; F320-L336 HydrophobicContact CE1-CD2 3.56Å; F320-L336 HydrophobicContact CE2-CD2 3.25Å; F320-L336 HydrophobicContact CG-CD2 3.69Å; F320-L336 HydrophobicContact CZ-CD2 3.32Å; F320-D340 HydrophobicContact CE2-CB 4.04Å |
| 321 | D | 88.4 | Confident | 86.4 | Confident | 150 Ų | 150 | 68.7 Ų | 68.7 | 80% | 0.802 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 44.3 | -175.1 | -162 | 27.7 | 0 | 0 | 0 | 114 | S323 | D321-S323 PolarHBondContact O-N 3.49Š|
| 322 | G | 86.1 | Confident | 87.3 | Confident | 71 Ų | 71 | 67.4 Ų | 67.4 | 73% | 0.732 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | -5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | F320 | F320-G322 PolarHBondContact O-N 3.22Š|
| 323 | S | 89.7 | Confident | 88.2 | Confident | 80 Ų | 80 | 72.3 Ų | 72.3 | 56% | 0.559 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 143 | 178.9 | -67 | 0 | 0 | 0 | 0 | 111.8 | H319 F320 D321 V325 | H319-S323 CarbonylContact C-O 3.47Å; H319-S323 WeakPolarHBondContact CA-O 3.36Å; F320-S323 PolarHBondContact N-O 2.95Å; F320-S323 PolarHBondContact O-N 3.04Å; D321-S323 PolarHBondContact O-N 3.49Å; S323-V325 PolarHBondContact O-N 3.18Å |
| 324 | K | 91.8 | Very high | 89 | Confident | 146 Ų | 146 | 68.4 Ų | 68.4 | 64% | 0.635 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 127.6 | 178.8 | -175.2 | -176.2 | 176.5 | -172 | 0 | 110.5 | F318 | F318-K324 WeakPolarHBondContact O-CA 3.25Å |
| 325 | V | 92.3 | Very high | 89.8 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 4% | 0.036 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 130.9 | 177.4 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | L297 F301 F318 F320 S323 L334 | L297-V325 HydrophobicContact CD1-CG1 3.81Å; F301-V325 HydrophobicContact CE2-CG1 3.93Å; F301-V325 HydrophobicContact CZ-CB 4.32Å; F301-V325 HydrophobicContact CZ-CG1 3.65Å; F318-V325 HydrophobicContact CB-CB 4.21Å; F318-V325 PolarHBondContact O-N 2.76Å; F320-V325 HydrophobicContact CB-CG2 3.53Å; S323-V325 PolarHBondContact O-N 3.18Å; V325-L334 HydrophobicContact CB-CD1 4.41Å; V325-L334 HydrophobicContact CG1-CD1 3.45Å; V325-L334 VanDerWaalsContact CG1-CD1 3.45Å; V325-L334 HydrophobicContact CG2-CD1 4.08Å; V325-L334 HydrophobicContact CG2-CD2 4.44Å |
| 326 | A | 90.9 | Very high | 90.4 | Very high | 43 Ų | 43 | 62.2 Ų | 62.2 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -97.4 | 145.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S328 Q329 | A326-S328 PolarHBondContact O-N 3.11Å; A326-S328 VanDerWaalsContact O-N 3.11Å; A326-Q329 HydrophobicContact CB-CG 4.33Å; A326-Q329 WeakPolarHBondContact O-CB 3.13Å; A326-Q329 PolarHBondContact O-N 2.83Å |
| 327 | G | 87.9 | Confident | 90.6 | Very high | 23 Ų | 23 | 67.1 Ų | 67.1 | 24% | 0.237 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -14 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L297 S298 Q329 | L297-G327 PolarHBondContact N-O 2.9Å; S298-G327 WeakPolarHBondContact CA-O 3.25Å; S298-G327 VanDerWaalsContact CB-O 3.25Å; S298-G327 WeakPolarHBondContact CB-O 3.43Å; S298-G327 PolarHBondContact N-O 3.1Å; G327-Q329 VanDerWaalsContact C-N 3.34Å |
| 328 | S | 90.4 | Very high | 90.6 | Very high | 96 Ų | 96 | 65.8 Ų | 65.8 | 67% | 0.671 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16 | 174.1 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | A326 | A326-S328 PolarHBondContact O-N 3.11Å; A326-S328 VanDerWaalsContact O-N 3.11Å |
| 329 | Q | 91.9 | Very high | 90.4 | Very high | 53 Ų | 53 | 67.2 Ų | 67.2 | 25% | 0.248 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -76 | 153.4 | 178.1 | -66.8 | 174 | -60.8 | 0 | 0 | 110.3 | P296 L297 A326 G327 L334 | P296-Q329 WeakPolarHBondContact CA-O 3.45Å; L297-Q329 WeakPolarHBondContact CG-O 3.44Å; L297-Q329 PolarHBondContact N-O 3.4Å; A326-Q329 HydrophobicContact CB-CG 4.33Å; A326-Q329 WeakPolarHBondContact O-CB 3.13Å; A326-Q329 PolarHBondContact O-N 2.83Å; G327-Q329 VanDerWaalsContact C-N 3.34Å; Q329-L334 HydrophobicContact CB-CD1 3.99Å; Q329-L334 HydrophobicContact CB-CG 4.24Å |
| 330 | T | 91.8 | Very high | 90.4 | Very high | 19 Ų | 19 | 67.8 Ų | 67.8 | 12% | 0.117 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -103.4 | 161.2 | 177.1 | 72.9 | 0 | 0 | 0 | 0 | 110.6 | R293 E294 A295 A332 Q333 L334 | R293-T330 VanDerWaalsContact O-CB 3.26Å; R293-T330 WeakPolarHBondContact O-CB 3.38Å; R293-T330 PolarHBondContact O-OG1 2.82Å; E294-T330 VanDerWaalsContact O-CG2 3.31Å; E294-T330 WeakPolarHBondContact O-CG2 3.29Å; A295-T330 WeakPolarHBondContact O-CA 3.16Å; A295-T330 WeakPolarHBondContact O-CB 3.43Å; T330-A332 VanDerWaalsContact C-N 3.29Å; T330-A332 PolarHBondContact O-N 2.8Å; T330-Q333 PolarHBondContact O-N 3.31Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.44Å; T330-Q333 PolarHBondContact OG1-N 3.32Å; T330-L334 PolarHBondContact O-N 3.42Å |
| 331 | A | 91.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -36.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R293 L297 Q333 L334 E335 L336 | R293-A331 PolarHBondContact O-N 2.85Å; L297-A331 HydrophobicContact CD2-CB 4.4Å; A331-Q333 PolarHBondContact O-N 3.04Å; A331-L334 CarbonylContact O-C 3.57Å; A331-L334 PolarHBondContact O-N 3.33Å; A331-E335 PolarHBondContact O-N 3.32Å; A331-E335 VanDerWaalsContact O-N 3.13Å; A331-L336 HydrophobicContact CB-CB 4.06Å; A331-L336 HydrophobicContact CB-CD1 4.01Å; A331-L336 HydrophobicContact CB-CG 4.47Å; A331-L336 PolarHBondContact O-N 3.36Å |
| 332 | A | 89.6 | Confident | 90.5 | Very high | 48 Ų | 48 | 62 Ų | 62 | 40% | 0.397 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -37.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R293 T330 L334 E335 | R293-A332 HydrophobicContact CB-CB 4.2Å; R293-A332 WeakPolarHBondContact O-CB 3.43Å; R293-A332 PolarHBondContact O-N 2.91Å; T330-A332 VanDerWaalsContact C-N 3.29Å; T330-A332 PolarHBondContact O-N 2.8Å; A332-L334 VanDerWaalsContact C-N 3.25Å; A332-L334 PolarHBondContact O-N 3.13Å; A332-E335 PolarHBondContact O-N 2.92Å |
| 333 | Q | 90.9 | Very high | 90.8 | Very high | 130 Ų | 130 | 63 Ų | 63 | 61% | 0.607 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -26.9 | 178.8 | -75.4 | 173.7 | -7.5 | 0 | 0 | 113 | T330 A331 E335 | T330-Q333 PolarHBondContact O-N 3.31Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.44Å; T330-Q333 PolarHBondContact OG1-N 3.32Å; A331-Q333 PolarHBondContact O-N 3.04Å; Q333-E335 VanDerWaalsContact C-N 3.35Å |
| 334 | L | 90.9 | Very high | 90.8 | Very high | 30 Ų | 30 | 59.2 Ų | 59.2 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 5.6 | 178.2 | -64.9 | 169.4 | 0 | 0 | 0 | 111.8 | L297 F320 V325 Q329 T330 A331 A332 L336 | L297-L334 HydrophobicContact CD1-CD1 3.58Å; F320-L334 VanDerWaalsContact CE1-O 3.29Å; F320-L334 WeakPolarHBondContact CE1-O 3.29Å; V325-L334 HydrophobicContact CB-CD1 4.41Å; V325-L334 HydrophobicContact CG1-CD1 3.45Å; V325-L334 VanDerWaalsContact CG1-CD1 3.45Å; V325-L334 HydrophobicContact CG2-CD1 4.08Å; V325-L334 HydrophobicContact CG2-CD2 4.44Å; Q329-L334 HydrophobicContact CB-CD1 3.99Å; Q329-L334 HydrophobicContact CB-CG 4.24Å; T330-L334 PolarHBondContact O-N 3.42Å; A331-L334 CarbonylContact O-C 3.57Å; A331-L334 PolarHBondContact O-N 3.33Å; A332-L334 VanDerWaalsContact C-N 3.25Å; A332-L334 PolarHBondContact O-N 3.13Å; L334-L336 HydrophobicContact CB-CD1 4.19Å; L334-L336 HydrophobicContact CB-CD2 4.44Å; L334-L336 HydrophobicContact CB-CG 3.84Å; L334-L336 HydrophobicContact CD1-CD1 4.28Å; L334-L336 PolarHBondContact O-N 3.47Å |
| 335 | E | 90.4 | Very high | 90.5 | Very high | 167 Ų | 167 | 57 Ų | 57 | 78% | 0.78 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 37.4 | -177.4 | -59.3 | -175 | 159.1 | 0 | 0 | 113 | A331 A332 Q333 | A331-E335 PolarHBondContact O-N 3.32Å; A331-E335 VanDerWaalsContact O-N 3.13Å; A332-E335 PolarHBondContact O-N 2.92Å; Q333-E335 VanDerWaalsContact C-N 3.35Å |
| 336 | L | 91.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | trans | -73.1 | 133.3 | -179 | -62.6 | 173.2 | 0 | 0 | 0 | 111.7 | L276 L297 F320 A331 L334 D340 I342 | L276-L336 HydrophobicContact CD1-CD1 3.63Å; L276-L336 HydrophobicContact CD2-CB 3.74Å; L276-L336 HydrophobicContact CD2-CD1 3.85Å; L276-L336 HydrophobicContact CD2-CD2 4.37Å; L276-L336 HydrophobicContact CD2-CG 4.2Å; L276-L336 HydrophobicContact CG-CD1 4.42Å; L297-L336 HydrophobicContact CD1-CD1 4.14Å; F320-L336 HydrophobicContact CD1-CD2 3.75Å; F320-L336 HydrophobicContact CD2-CD2 3.44Å; F320-L336 VanDerWaalsContact CD2-CD2 3.44Å; F320-L336 HydrophobicContact CE1-CD2 3.56Å; F320-L336 HydrophobicContact CE2-CD2 3.25Å; F320-L336 HydrophobicContact CG-CD2 3.69Å; F320-L336 HydrophobicContact CZ-CD2 3.32Å; A331-L336 HydrophobicContact CB-CB 4.06Å; A331-L336 HydrophobicContact CB-CD1 4.01Å; A331-L336 HydrophobicContact CB-CG 4.47Å; A331-L336 PolarHBondContact O-N 3.36Å; L334-L336 HydrophobicContact CB-CD1 4.19Å; L334-L336 HydrophobicContact CB-CD2 4.44Å; L334-L336 HydrophobicContact CB-CG 3.84Å; L334-L336 HydrophobicContact CD1-CD1 4.28Å; L334-L336 PolarHBondContact O-N 3.47Å; L336-D340 VanDerWaalsContact CA-OD2 3.29Å; L336-D340 WeakPolarHBondContact CA-OD2 3.26Å; L336-D340 HydrophobicContact CD2-CB 4.08Å; L336-I342 HydrophobicContact CD1-CD1 4.12Å | ||
| 337 | E | 90.8 | Very high | 89.8 | Confident | 126 Ų | 126 | 62.7 Ų | 62.7 | 59% | 0.589 | 34% | 0.344 | S | S | * | . | trans | -115 | 167.9 | 177.5 | -61.9 | -166.8 | 148 | 0 | 0 | 112.6 | V274 G339 D340 | V274-E337 WeakPolarHBondContact CG1-O 3.28Å; E337-G339 PolarHBondContact O-N 3.24Å; E337-D340 PolarHBondContact N-OD2 2.6Å; E337-D340 VanDerWaalsContact O-CB 3.28Å; E337-D340 WeakPolarHBondContact O-CB 3.34Å; E337-D340 PolarHBondContact O-N 3.23Å; E337-D340 VanDerWaalsContact O-N 3.09Å | ||
| 338 | D | 89.4 | Confident | 89.9 | Confident | 106 Ų | 106 | 64.7 Ų | 64.7 | 57% | 0.567 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 122.4 | -177.3 | -80.6 | -62.7 | 0 | 0 | 0 | 111.4 | V274 S275 | V274-D338 WeakPolarHBondContact CA-OD1 3.38Å; S275-D338 WeakPolarHBondContact CB-OD1 3.42Å; S275-D338 PolarHBondContact N-OD1 3.07Å; S275-D338 PolarHBondContact OG-OD1 2.94Å |
| 339 | G | 87.3 | Confident | 89.9 | Confident | 45 Ų | 45 | 63 Ų | 63 | 46% | 0.464 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | -1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | S275 E337 | S275-G339 PolarHBondContact O-N 3.22Å; S275-G339 PolarHBondContact OG-N 3.26Å; E337-G339 PolarHBondContact O-N 3.24Å |
| 340 | D | 92.5 | Very high | 89.8 | Confident | 41 Ų | 41 | 63.6 Ų | 63.6 | 22% | 0.219 | 34% | 0.336 | C | S | . | . | trans | -62.4 | 149.1 | 178.5 | -84.7 | -12 | 0 | 0 | 0 | 113.3 | L276 K277 F320 L336 E337 | L276-D340 HydrophobicContact CD2-CB 4.11Å; K277-D340 PolarHBondContact N-O 3.16Å; F320-D340 HydrophobicContact CE2-CB 4.04Å; L336-D340 VanDerWaalsContact CA-OD2 3.29Å; L336-D340 WeakPolarHBondContact CA-OD2 3.26Å; L336-D340 HydrophobicContact CD2-CB 4.08Å; E337-D340 PolarHBondContact N-OD2 2.6Å; E337-D340 VanDerWaalsContact O-CB 3.28Å; E337-D340 WeakPolarHBondContact O-CB 3.34Å; E337-D340 PolarHBondContact O-N 3.23Å; E337-D340 VanDerWaalsContact O-N 3.09Å | ||
| 341 | I | 91.8 | Very high | 89.6 | Confident | 71 Ų | 71 | 66.4 Ų | 66.4 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 120.4 | -173.7 | -52.6 | 178.9 | 0 | 0 | 0 | 110.3 | K277 Q279 | K277-I341 HydrophobicContact CB-CG1 4.24Å; K277-I341 HydrophobicContact CD-CG1 4.36Å; K277-I341 CarbonylContact O-C 3.54Å; K277-I341 VanDerWaalsContact O-CA 3.25Å; K277-I341 WeakPolarHBondContact O-CA 3.29Å; K277-I341 WeakPolarHBondContact O-CG2 3.21Å; Q279-I341 HydrophobicContact CB-CG2 3.71Å |
| 342 | I | 92.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 119.1 | 168.6 | -60.8 | 179.4 | 0 | 0 | 0 | 108.3 | L276 K277 L278 Q279 L297 F301 F318 H319 L336 | L276-I342 HydrophobicContact CD1-CD1 4.11Å; K277-I342 PolarHBondContact O-N 2.76Å; L278-I342 WeakPolarHBondContact CA-O 3.27Å; L278-I342 HydrophobicContact CD1-CB 4.06Å; L278-I342 HydrophobicContact CD1-CD1 4.16Å; L278-I342 HydrophobicContact CD1-CG1 4.47Å; L278-I342 HydrophobicContact CG-CB 4.2Å; L278-I342 HydrophobicContact CG-CG2 4.48Å; Q279-I342 PolarHBondContact N-O 3.41Å; L297-I342 HydrophobicContact CD1-CD1 4.2Å; F301-I342 HydrophobicContact CE1-CD1 4.14Å; F301-I342 HydrophobicContact CE1-CG2 4.36Å; F301-I342 HydrophobicContact CZ-CD1 4.41Å; F318-I342 HydrophobicContact CB-CG2 3.97Å; F318-I342 HydrophobicContact CD1-CG2 4.14Å; H319-I342 CarbonylContact O-C 3.57Å; L336-I342 HydrophobicContact CD1-CD1 4.12Å |
| 343 | E | 91.7 | Very high | 89.5 | Confident | 91 Ų | 91 | 72.4 Ų | 72.4 | 43% | 0.425 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 132.1 | 177.4 | -62.7 | -170.7 | 168.6 | 0 | 0 | 111.4 | Q279 F318 H319 W345 | Q279-E343 CarbonylContact O-C 3.58Å; Q279-E343 WeakPolarHBondContact O-CA 3.42Å; F318-E343 CarbonylContact C-O 3.59Å; F318-E343 WeakPolarHBondContact CA-O 3.49Å; H319-E343 HydrophobicContact CB-CB 4.43Å; H319-E343 PolarHBondContact N-O 3.44Å; H319-E343 PolarHBondContact O-N 2.84Å; E343-W345 PolarHBondContact OE2-NE1 2.92Å |
| 344 | V | 90.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 116.2 | 176.6 | -176 | 0 | 0 | 0 | 0 | 108.8 | L278 Q279 R281 F304 V316 F318 | L278-V344 HydrophobicContact CB-CG2 4.19Å; L278-V344 HydrophobicContact CG-CG2 4.42Å; Q279-V344 PolarHBondContact O-N 3.42Å; R281-V344 PolarHBondContact N-O 2.89Å; F304-V344 HydrophobicContact CD1-CG1 4.49Å; F304-V344 HydrophobicContact CD1-CG2 4.43Å; F304-V344 HydrophobicContact CE1-CB 4.17Å; F304-V344 HydrophobicContact CE1-CG1 3.53Å; F304-V344 HydrophobicContact CE1-CG2 3.77Å; F304-V344 HydrophobicContact CE2-CG2 4.43Å; F304-V344 HydrophobicContact CZ-CB 4.23Å; F304-V344 HydrophobicContact CZ-CG1 3.98Å; F304-V344 HydrophobicContact CZ-CG2 3.76Å; V316-V344 HydrophobicContact CG1-CG1 3.51Å; F318-V344 HydrophobicContact CD1-CG2 3.94Å; F318-V344 HydrophobicContact CE1-CG1 4.34Å; F318-V344 HydrophobicContact CE1-CG2 3.86Å |
| 345 | W | 86.2 | Confident | 89.3 | Confident | 100 Ų | 100 | 71.2 Ų | 71.2 | 38% | 0.379 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 114.5 | 179.4 | -70.7 | 50 | 0 | 0 | 0 | 108.8 | V316 R317 H319 E343 | V316-W345 CarbonylContact C-O 3.52Å; V316-W345 VanDerWaalsContact CA-O 3.27Å; V316-W345 WeakPolarHBondContact CA-O 3.17Å; R317-W345 HydrophobicContact CB-CB 4.36Å; R317-W345 PolarHBondContact N-O 3.17Å; R317-W345 WeakPolarHBondContact O-CB 3.49Å; R317-W345 PolarHBondContact O-N 3.07Å; H319-W345 AromaticContact ND1-CD1 3.5Å; H319-W345 AromaticContact ND1-CG 3.6Å; H319-W345 AromaticContact ND1-NE1 3.88Å; E343-W345 PolarHBondContact OE2-NE1 2.92Å |
| 346 | T | 77.8 | Confident | 89.2 | Confident | 104 Ų | 104 | 62.5 Ų | 62.5 | 64% | 0.638 | 33% | 0.333 | S | S | * | . | trans | -99.6 | 0 | 175.4 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | S315 V316 | S315-T346 WeakPolarHBondContact CB-OXT 3.49Å; S315-T346 PolarHBondContact OG-OXT 3.18Å; V316-T346 HydrophobicContact CG2-CG2 3.83Å |
Retrieved 346 of 346 residues in 168.2 ms
(Link to these results)