| 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 | 44.8 | Very low | 51.8 | Low | 248 Ų | 248 | 165.9 Ų | 165.9 | 100% | 1.222 | 87% | 0.874 | S | S | * | * | 0 | 109.9 | 0 | -75 | -173.5 | 175.3 | 0 | 0 | 108.5 | |||||
| 2 | Q | 46.9 | Very low | 50.8 | Low | 192 Ų | 192 | 172.3 Ų | 172.3 | 90% | 0.897 | 88% | 0.878 | S | S | * | * | trans | -121.7 | 133.2 | 173.2 | -84.1 | -179.6 | -21.5 | 0 | 0 | 107.6 | ||||
| 3 | P | 54.5 | Low | 50 | Low | 131 Ų | 131 | 168.8 Ų | 168.8 | 85% | 0.851 | 88% | 0.879 | S | S | * | * | trans | -88.9 | 126.2 | 177.6 | 29.5 | -23.4 | 0 | 0 | 0 | 111.6 | ||||
| 4 | R | 46.1 | Very low | 49.1 | Very low | 249 Ų | 249 | 161.8 Ų | 161.8 | 94% | 0.94 | 87% | 0.868 | S | S | * | * | trans | -73.9 | 129.4 | 163.1 | -97 | 179 | 169.4 | 174 | -2.5 | 110.3 | ||||
| 5 | R | 51.5 | Low | 48.6 | Very low | 236 Ų | 236 | 159.7 Ų | 159.7 | 89% | 0.891 | 87% | 0.866 | S | S | * | * | trans | -149.1 | 103.3 | 153.5 | -74.4 | -165.8 | 177.7 | 179.6 | -1 | 108.3 | ||||
| 6 | Q | 57.3 | Low | 47.8 | Very low | 183 Ų | 183 | 154 Ų | 154 | 86% | 0.855 | 86% | 0.857 | S | S | * | * | 85.9 | 124.5 | 97.6 | -86.2 | -167.5 | -6.5 | 0 | 0 | 113.9 | |||||
| 7 | P | 57.9 | Low | 47 | Very low | 119 Ų | 119 | 154.5 Ų | 154.5 | 77% | 0.773 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 155.3 | -173.2 | 34.5 | -35.3 | 0 | 0 | 0 | 113.3 | ||
| 8 | P | 60.5 | Low | 47 | Very low | 120 Ų | 120 | 152.3 Ų | 152.3 | 78% | 0.779 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 153.1 | 178.3 | 30.7 | -32.6 | 0 | 0 | 0 | 113 | ||
| 9 | P | 50.8 | Low | 47.1 | Very low | 125 Ų | 125 | 156.5 Ų | 156.5 | 81% | 0.812 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 155.1 | -170.8 | 34.2 | -33.9 | 0 | 0 | 0 | 114.1 | ||
| 10 | A | 47.8 | Very low | 46.9 | Very low | 90 Ų | 90 | 155.2 Ų | 155.2 | 74% | 0.744 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 143.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 11 | P | 51.5 | Low | 46.7 | Very low | 132 Ų | 132 | 154.3 Ų | 154.3 | 86% | 0.857 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 134.9 | 175.2 | 28.8 | -29.7 | 0 | 0 | 0 | 112.3 | ||
| 12 | R | 40.3 | Very low | 46.8 | Very low | 242 Ų | 242 | 146.8 Ų | 146.8 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 148.4 | 179.3 | -72.2 | 174.1 | 169.6 | 174 | -4.2 | 112.5 | ||
| 13 | S | 39.6 | Very low | 46.9 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 137.6 | 163.7 | 43.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 14 | G | 37.8 | Very low | 46.3 | Very low | 71 Ų | 71 | 145.5 Ų | 145.5 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | trans | -146.4 | 165.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 15 | P | 42.1 | Very low | 46.3 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | trans | -100.2 | 150.9 | -136.4 | 36.5 | -34.2 | 0 | 0 | 0 | 116.2 | ||||
| 16 | G | 34.8 | Very low | 46 | Very low | 69 Ų | 69 | 134.5 Ų | 134.5 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | 58.1 | 113.9 | 127.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 17 | N | 35 | Very low | 45.3 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | trans | 81.5 | 158.2 | 144.3 | -73.2 | -9.9 | 0 | 0 | 0 | 120.3 | ||||
| 18 | P | 46.1 | Very low | 44.7 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | cis | -126.5 | 169.3 | -14.1 | 25.1 | -2.8 | 0 | 0 | 0 | 114.1 | ||||
| 19 | R | 48.9 | Very low | 44 | Very low | 232 Ų | 232 | 136.8 Ų | 136.8 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65 | 139.2 | 172.1 | -67.6 | 172.1 | 173.1 | 170.2 | -2.9 | 111.5 | T21 | R19-T21 PolarHBondContact O-N 3.47Š|
| 20 | P | 44.6 | Very low | 43.8 | Very low | 130 Ų | 130 | 138.5 Ų | 138.5 | 84% | 0.844 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 120 | 166.8 | 28.7 | -29.7 | 0 | 0 | 0 | 110.3 | ||
| 21 | T | 41.8 | Very low | 43.8 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.5 | 169.7 | 32.9 | 0 | 0 | 0 | 0 | 110.4 | R19 | R19-T21 PolarHBondContact O-N 3.47Š|
| 22 | A | 46.7 | Very low | 43.3 | Very low | 90 Ų | 90 | 140 Ų | 140 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 139.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 23 | P | 48.3 | Very low | 43.3 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 126.9 | 174 | 30.4 | -30.3 | 0 | 0 | 0 | 110 | L25 | P23-L25 PolarHBondContact O-N 3.44Š|
| 24 | L | 43.3 | Very low | 43.5 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | trans | -64.2 | 105.7 | 165.5 | -92.9 | 133.8 | 0 | 0 | 0 | 109 | ||||
| 25 | L | 44.9 | Very low | 43.9 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -85.6 | 113.6 | 164.9 | -107.4 | 143.2 | 0 | 0 | 0 | 108.2 | P23 L27 | P23-L25 PolarHBondContact O-N 3.44Å; L25-L27 PolarHBondContact O-N 2.71Å | ||
| 26 | A | 46.3 | Very low | 43.8 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -63.4 | 126.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 27 | L | 42.1 | Very low | 44.1 | Very low | 160 Ų | 160 | 138 Ų | 138 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -84.2 | 107.6 | 175.6 | -152.7 | 84.7 | 0 | 0 | 0 | 108.7 | L25 | L25-L27 PolarHBondContact O-N 2.71Š| ||
| 28 | L | 45.9 | Very low | 44.7 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | trans | -83.6 | 111.3 | 167.7 | -98.6 | 125.5 | 0 | 0 | 0 | 109.2 | L30 | L28-L30 PolarHBondContact O-N 3.25Š| ||
| 29 | L | 45.7 | Very low | 44.2 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | trans | -72.9 | 106.8 | 169.7 | -83 | 153.9 | 0 | 0 | 0 | 109.7 | ||||
| 30 | L | 46.7 | Very low | 43.6 | Very low | 162 Ų | 162 | 127.7 Ų | 127.7 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -102 | 104.8 | 163.1 | -76.8 | 164.1 | 0 | 0 | 0 | 108.4 | L28 A32 | L28-L30 PolarHBondContact O-N 3.25Å; L30-A32 PolarHBondContact O-N 3.25Å | ||
| 31 | L | 46.6 | Very low | 43.1 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -75.3 | 106.8 | 166.6 | -85 | 148.8 | 0 | 0 | 0 | 108.4 | ||||
| 32 | A | 42.8 | Very low | 43.3 | Very low | 78 Ų | 78 | 132.7 Ų | 132.7 | 65% | 0.645 | 81% | 0.811 | S | S | * | * | trans | -113.7 | 133.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | L30 V34 | L30-A32 PolarHBondContact O-N 3.25Å; A32-V34 PolarHBondContact O-N 3.2Å | ||
| 33 | P | 39.6 | Very low | 42.9 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | trans | -77.9 | 113.8 | 179.4 | 31 | -29.5 | 0 | 0 | 0 | 108.9 | V35 | P33-V35 PolarHBondContact O-N 2.64Š| ||
| 34 | V | 43.9 | Very low | 42.7 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -91.4 | 103.9 | 169.8 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | A32 A36 | A32-V34 PolarHBondContact O-N 3.2Å; V34-A36 PolarHBondContact O-N 2.97Å | ||
| 35 | V | 45.5 | Very low | 42.4 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 124.5 | 165.2 | 175.4 | 0 | 0 | 0 | 0 | 108.3 | P33 | P33-V35 PolarHBondContact O-N 2.64Š|
| 36 | A | 40.1 | Very low | 42.5 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 128.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V34 | V34-A36 PolarHBondContact O-N 2.97Š|
| 37 | P | 41.6 | Very low | 42.6 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -82 | 127 | 163.6 | 31.5 | -26.2 | 0 | 0 | 0 | 108.8 | G39 | P37-G39 PolarHBondContact O-N 3.43Š|
| 38 | A | 46.5 | Very low | 42.9 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 117 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 39 | G | 36.2 | Very low | 43 | Very low | 64 Ų | 64 | 125.4 Ų | 125.4 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | trans | -167.1 | 107.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P37 | P37-G39 PolarHBondContact O-N 3.43Š| ||
| 40 | S | 37.5 | Very low | 43.2 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | 46.1 | 87.1 | 157.8 | 62.3 | 0 | 0 | 0 | 0 | 118.1 | S42 | S40-S42 VanDerWaalsContact C-N 3.34Å; S40-S42 PolarHBondContact O-N 3.48Å; S40-S42 VanDerWaalsContact O-N 3.1Å | ||
| 41 | R | 33.2 | Very low | 42.9 | Very low | 248 Ų | 248 | 125.6 Ų | 125.6 | 94% | 0.936 | 76% | 0.76 | S | S | * | * | trans | -70.8 | 93.1 | 150 | -79.4 | -178.9 | 175.6 | 175.7 | -1.4 | 108.4 | A43 | R41-A43 VanDerWaalsContact C-N 3.27Å; R41-A43 PolarHBondContact O-N 3.05Å | ||
| 42 | S | 45.5 | Very low | 43.1 | Very low | 124 Ų | 124 | 120.5 Ų | 120.5 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | trans | -83.4 | 87.8 | 146.8 | -148.9 | 0 | 0 | 0 | 0 | 105.4 | S40 | S40-S42 VanDerWaalsContact C-N 3.34Å; S40-S42 PolarHBondContact O-N 3.48Å; S40-S42 VanDerWaalsContact O-N 3.1Å | ||
| 43 | A | 38.1 | Very low | 43.9 | Very low | 77 Ų | 77 | 120.1 Ų | 120.1 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | trans | -85.4 | 109.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | R41 D45 | R41-A43 VanDerWaalsContact C-N 3.27Å; R41-A43 PolarHBondContact O-N 3.05Å; A43-D45 VanDerWaalsContact C-N 3.32Å; A43-D45 PolarHBondContact O-N 2.88Å | ||
| 44 | E | 45.3 | Very low | 45.4 | Very low | 193 Ų | 193 | 116 Ų | 116 | 90% | 0.902 | 72% | 0.719 | S | S | * | * | trans | -54.2 | 107 | 150.1 | -79.9 | 174.4 | 129.3 | 0 | 0 | 106.3 | P46 | E44-P46 WeakPolarHBondContact O-CD 3.13Š| ||
| 45 | D | 35.8 | Very low | 47.3 | Very low | 125 Ų | 125 | 112.7 Ų | 112.7 | 67% | 0.668 | 70% | 0.701 | S | S | * | * | trans | -69.5 | 112.4 | 176 | -159.2 | 11.1 | 0 | 0 | 0 | 107.4 | A43 A47 | A43-D45 VanDerWaalsContact C-N 3.32Å; A43-D45 PolarHBondContact O-N 2.88Å; D45-A47 PolarHBondContact O-N 3.13Å | ||
| 46 | P | 48.4 | Very low | 49.3 | Very low | 110 Ų | 110 | 115.5 Ų | 115.5 | 71% | 0.714 | 70% | 0.698 | S | S | * | * | trans | -69.6 | 106.1 | 172.6 | 27.9 | -28 | 0 | 0 | 0 | 106.3 | E44 Q48 | E44-P46 WeakPolarHBondContact O-CD 3.13Å; P46-Q48 PolarHBondContact O-N 3.26Å | ||
| 47 | A | 47.7 | Very low | 51.7 | Low | 53 Ų | 53 | 118.1 Ų | 118.1 | 44% | 0.438 | 69% | 0.689 | S | S | . | * | trans | -24.8 | 105.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D45 | D45-A47 PolarHBondContact O-N 3.13Š| ||
| 48 | Q | 48.9 | Very low | 54.1 | Low | 153 Ų | 153 | 113.2 Ų | 113.2 | 72% | 0.715 | 66% | 0.656 | S | S | * | * | trans | -59.1 | 139.2 | -177.1 | -155.4 | 155.8 | -18.1 | 0 | 0 | 108.1 | P46 E50 | P46-Q48 PolarHBondContact O-N 3.26Å; Q48-E50 PolarHBondContact O-N 2.99Å | ||
| 49 | P | 46.7 | Very low | 56.4 | Low | 90 Ų | 90 | 108.9 Ų | 108.9 | 58% | 0.584 | 62% | 0.617 | S | S | * | * | trans | -60.4 | 113.8 | 175.3 | -9.1 | 21.4 | 0 | 0 | 0 | 107.4 | D51 | P49-D51 PolarHBondContact O-N 3.22Å; P49-D51 VanDerWaalsContact O-N 3.16Å | ||
| 50 | E | 49.8 | Very low | 59.2 | Low | 150 Ų | 150 | 108.6 Ų | 108.6 | 70% | 0.701 | 60% | 0.599 | S | S | * | * | trans | -66.5 | 115.3 | 163.9 | -77 | -161.8 | 146.5 | 0 | 0 | 107 | Q48 A52 | Q48-E50 PolarHBondContact O-N 2.99Å; E50-A52 HydrophobicContact CB-CB 4.27Å; E50-A52 PolarHBondContact O-N 2.94Å | ||
| 51 | D | 41.1 | Very low | 61.9 | Low | 170 Ų | 170 | 103.1 Ų | 103.1 | 91% | 0.909 | 56% | 0.56 | S | S | * | * | trans | -74.8 | 7.6 | 170.4 | -146 | 13.5 | 0 | 0 | 0 | 111.2 | P49 G53 | P49-D51 PolarHBondContact O-N 3.22Å; P49-D51 VanDerWaalsContact O-N 3.16Å; D51-G53 PolarHBondContact O-N 2.93Å | ||
| 52 | A | 50.4 | Low | 64.9 | Low | 69 Ų | 69 | 91.3 Ų | 91.3 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -65 | 103.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | E50 V54 | E50-A52 HydrophobicContact CB-CB 4.27Å; E50-A52 PolarHBondContact O-N 2.94Å; A52-V54 PolarHBondContact O-N 3.01Å; A52-V54 VanDerWaalsContact O-N 3.1Å |
| 53 | G | 60.6 | Low | 67.4 | Low | 71 Ų | 71 | 85.4 Ų | 85.4 | 73% | 0.732 | 47% | 0.474 | S | S | * | . | trans | -35.4 | 118 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D51 | D51-G53 PolarHBondContact O-N 2.93Š| ||
| 54 | V | 70.1 | Confident | 70.1 | Confident | 36 Ų | 36 | 83.8 Ų | 83.8 | 22% | 0.218 | 45% | 0.452 | C | S | . | . | trans | -49.1 | 131.5 | -174.8 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | A52 R56 L58 L59 A91 | A52-V54 PolarHBondContact O-N 3.01Å; A52-V54 VanDerWaalsContact O-N 3.1Å; V54-R56 PolarHBondContact O-N 2.86Å; V54-L58 HydrophobicContact CG1-CD2 4.49Å; V54-L59 HydrophobicContact CB-CD1 4.24Å; V54-L59 HydrophobicContact CB-CD2 4.31Å; V54-L59 HydrophobicContact CB-CG 4.23Å; V54-L59 HydrophobicContact CG1-CD1 4.2Å; V54-L59 HydrophobicContact CG1-CD2 3.56Å; V54-L59 HydrophobicContact CG1-CG 3.64Å; V54-A91 HydrophobicContact CB-CB 4.42Å; V54-A91 HydrophobicContact CG1-CB 3.46Å; V54-A91 VanDerWaalsContact CG1-CB 3.46Å; V54-A91 HydrophobicContact CG2-CB 4.06Å | ||
| 55 | P | 84.6 | Confident | 72.6 | Confident | 67 Ų | 67 | 74.6 Ų | 74.6 | 44% | 0.435 | 41% | 0.409 | S | S | . | . | trans | -53.7 | 117.5 | 179.9 | -27.1 | 34.1 | 0 | 0 | 0 | 110.5 | R57 L58 L59 | P55-R57 PolarHBondContact O-N 3.3Å; P55-L58 HydrophobicContact CB-CB 4.14Å; P55-L58 WeakPolarHBondContact O-CA 3.49Å; P55-L58 WeakPolarHBondContact O-CB 3.27Å; P55-L58 PolarHBondContact O-N 3.14Å; P55-L59 PolarHBondContact O-N 2.87Å | ||
| 56 | R | 88.2 | Confident | 75.6 | Confident | 187 Ų | 187 | 68.7 Ų | 68.7 | 71% | 0.706 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -51.9 | -36.6 | -178.2 | -174.9 | 177.6 | -177.9 | -178.6 | 1.3 | 111.9 | V54 L58 L59 Q60 | V54-R56 PolarHBondContact O-N 2.86Å; R56-L58 PolarHBondContact O-N 2.9Å; R56-L59 PolarHBondContact O-N 2.69Å; R56-Q60 WeakPolarHBondContact O-CG 3.35Å; R56-Q60 PolarHBondContact O-N 2.69Å |
| 57 | R | 89.1 | Confident | 77.9 | Confident | 141 Ų | 141 | 63.9 Ų | 63.9 | 53% | 0.532 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59 | -43.3 | 174.6 | -174.7 | -179.3 | 176.3 | -175 | 0.4 | 112.2 | P55 Q60 Q61 V210 S243 | P55-R57 PolarHBondContact O-N 3.3Å; R57-Q60 PolarHBondContact O-N 3.12Å; R57-Q61 VanDerWaalsContact O-CB 3.3Å; R57-Q61 WeakPolarHBondContact O-CB 3.3Å; R57-Q61 PolarHBondContact O-N 2.81Å; R57-V210 PolarHBondContact NH2-O 3.46Å; R57-V210 VanDerWaalsContact NH2-O 3.09Å; R57-S243 PolarHBondContact NH2-OG 2.78Å; R57-S243 VanDerWaalsContact NH2-OG 3.09Å |
| 58 | L | 92.3 | Very high | 80.3 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 10% | 0.099 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 179.4 | 178.6 | 61.1 | 0 | 0 | 0 | 111.5 | V54 P55 R56 Q61 A62 A91 I93 V101 F132 | V54-L58 HydrophobicContact CG1-CD2 4.49Å; P55-L58 HydrophobicContact CB-CB 4.14Å; P55-L58 WeakPolarHBondContact O-CA 3.49Å; P55-L58 WeakPolarHBondContact O-CB 3.27Å; P55-L58 PolarHBondContact O-N 3.14Å; R56-L58 PolarHBondContact O-N 2.9Å; L58-Q61 PolarHBondContact O-N 3.36Å; L58-A62 WeakPolarHBondContact O-CB 3.46Å; L58-A62 PolarHBondContact O-N 2.81Å; L58-A91 HydrophobicContact CD2-CB 3.83Å; L58-I93 HydrophobicContact CD2-CD1 4.35Å; L58-V101 HydrophobicContact CD1-CG2 4.05Å; L58-V101 HydrophobicContact CD2-CG2 4Å; L58-V101 HydrophobicContact CG-CG2 3.86Å; L58-F132 HydrophobicContact CD1-CD2 4.48Å; L58-F132 HydrophobicContact CD1-CE2 4.26Å |
| 59 | L | 95.1 | Very high | 82.6 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 11% | 0.105 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 176 | -63.1 | -178 | 0 | 0 | 0 | 111.9 | V54 P55 R56 Q61 A62 A63 V86 V101 | V54-L59 HydrophobicContact CB-CD1 4.24Å; V54-L59 HydrophobicContact CB-CD2 4.31Å; V54-L59 HydrophobicContact CB-CG 4.23Å; V54-L59 HydrophobicContact CG1-CD1 4.2Å; V54-L59 HydrophobicContact CG1-CD2 3.56Å; V54-L59 HydrophobicContact CG1-CG 3.64Å; P55-L59 PolarHBondContact O-N 2.87Å; R56-L59 PolarHBondContact O-N 2.69Å; L59-Q61 VanDerWaalsContact C-N 3.31Å; L59-Q61 PolarHBondContact O-N 3.05Å; L59-A62 PolarHBondContact O-N 2.88Å; L59-A63 WeakPolarHBondContact O-CB 3.37Å; L59-A63 PolarHBondContact O-N 2.84Å; L59-V86 HydrophobicContact CB-CG1 3.98Å; L59-V86 HydrophobicContact CD1-CG1 4.49Å; L59-V101 HydrophobicContact CD2-CG1 3.61Å |
| 60 | Q | 94.3 | Very high | 85 | Confident | 58 Ų | 58 | 53 Ų | 53 | 27% | 0.271 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 174.4 | -72.6 | 179.6 | -10.9 | 0 | 0 | 111.5 | R56 R57 A63 R64 V86 | R56-Q60 WeakPolarHBondContact O-CG 3.35Å; R56-Q60 PolarHBondContact O-N 2.69Å; R57-Q60 PolarHBondContact O-N 3.12Å; Q60-A63 PolarHBondContact O-N 2.75Å; Q60-R64 VanDerWaalsContact O-CG 3.3Å; Q60-R64 WeakPolarHBondContact O-CG 3.35Å; Q60-R64 PolarHBondContact O-N 3.03Å; Q60-V86 HydrophobicContact CG-CG2 4.04Å |
| 61 | Q | 94.4 | Very high | 87.3 | Confident | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.023 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 178.1 | -172 | 56 | 33.2 | 0 | 0 | 112 | R57 L58 L59 A63 R64 A65 F132 T207 S211 | R57-Q61 VanDerWaalsContact O-CB 3.3Å; R57-Q61 WeakPolarHBondContact O-CB 3.3Å; R57-Q61 PolarHBondContact O-N 2.81Å; L58-Q61 PolarHBondContact O-N 3.36Å; L59-Q61 VanDerWaalsContact C-N 3.31Å; L59-Q61 PolarHBondContact O-N 3.05Å; Q61-A63 PolarHBondContact O-N 2.85Å; Q61-R64 PolarHBondContact O-N 2.8Å; Q61-A65 WeakPolarHBondContact O-CB 3.44Å; Q61-A65 PolarHBondContact O-N 2.77Å; Q61-F132 HydrophobicContact CG-CE1 4.4Å; Q61-F132 HydrophobicContact CG-CZ 4.11Å; Q61-T207 VanDerWaalsContact NE2-CG2 3.25Å; Q61-S211 VanDerWaalsContact CD-O 3.23Å; Q61-S211 PolarHBondContact NE2-O 3.3Å; Q61-S211 PolarHBondContact OE1-O 3.31Å |
| 62 | A | 96.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L58 L59 R64 A65 A66 V101 V103 V130 F132 | L58-A62 WeakPolarHBondContact O-CB 3.46Å; L58-A62 PolarHBondContact O-N 2.81Å; L59-A62 PolarHBondContact O-N 2.88Å; A62-R64 VanDerWaalsContact C-N 3.34Å; A62-R64 PolarHBondContact O-N 2.83Å; A62-A65 PolarHBondContact O-N 2.86Å; A62-A66 WeakPolarHBondContact O-CB 3.5Å; A62-A66 PolarHBondContact O-N 2.73Å; A62-V101 HydrophobicContact CB-CB 3.81Å; A62-V101 HydrophobicContact CB-CG1 3.59Å; A62-V101 HydrophobicContact CB-CG2 4.31Å; A62-V103 HydrophobicContact CB-CG1 4.07Å; A62-V130 HydrophobicContact CB-CB 4.08Å; A62-V130 HydrophobicContact CB-CG1 4.48Å; A62-V130 HydrophobicContact CB-CG2 4.04Å; A62-F132 HydrophobicContact CB-CE2 4.06Å; A62-F132 HydrophobicContact CB-CZ 4.38Å |
| 63 | A | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L59 Q60 Q61 A66 L67 L83 V86 V103 F105 | L59-A63 WeakPolarHBondContact O-CB 3.37Å; L59-A63 PolarHBondContact O-N 2.84Å; Q60-A63 PolarHBondContact O-N 2.75Å; Q61-A63 PolarHBondContact O-N 2.85Å; A63-A66 PolarHBondContact O-N 3.31Å; A63-L67 WeakPolarHBondContact O-CB 3.39Å; A63-L67 PolarHBondContact O-N 2.83Å; A63-L83 HydrophobicContact CB-CD1 3.93Å; A63-L83 HydrophobicContact CB-CD2 4.08Å; A63-V86 HydrophobicContact CB-CG2 3.76Å; A63-V103 HydrophobicContact CB-CG2 4.23Å; A63-F105 HydrophobicContact CB-CB 4.08Å; A63-F105 HydrophobicContact CB-CD1 3.78Å; A63-F105 HydrophobicContact CB-CD2 4.31Å; A63-F105 HydrophobicContact CB-CE1 4.24Å; A63-F105 HydrophobicContact CB-CG 3.81Å |
| 64 | R | 96.3 | Very high | 93.6 | Very high | 43 Ų | 43 | 42.8 Ų | 42.8 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67 | -46.6 | 177.1 | -68.2 | -174.2 | -176.6 | 109.9 | -2.9 | 112.4 | Q60 Q61 A62 A66 L67 H68 L83 H212 Y214 | Q60-R64 VanDerWaalsContact O-CG 3.3Å; Q60-R64 WeakPolarHBondContact O-CG 3.35Å; Q60-R64 PolarHBondContact O-N 3.03Å; Q61-R64 PolarHBondContact O-N 2.8Å; A62-R64 VanDerWaalsContact C-N 3.34Å; A62-R64 PolarHBondContact O-N 2.83Å; R64-A66 VanDerWaalsContact C-N 3.27Å; R64-A66 PolarHBondContact O-N 3.07Å; R64-L67 WeakPolarHBondContact O-CB 3.35Å; R64-L67 PolarHBondContact O-N 2.83Å; R64-L67 VanDerWaalsContact O-N 3.1Å; R64-H68 PolarHBondContact O-CD2 3.42Å; R64-H68 PolarHBondContact O-N 2.94Å; R64-L83 HydrophobicContact CG-CD2 3.55Å; R64-H212 VanDerWaalsContact CD-CD2 3.4Å; R64-H212 WeakPolarHBondContact CD-CD2 3.5Å; R64-H212 WeakPolarHBondContact CD-CE1 3.29Å; R64-H212 WeakPolarHBondContact CD-NE2 3.21Å; R64-H212 PolarHBondContact NE-CE1 2.99Å; R64-H212 PolarHBondContact NE-NE2 2.97Å; R64-H212 VanDerWaalsContact NE-NE2 3.12Å; R64-H212 PolarHBondContact NH1-CE1 3.02Å; R64-Y214 PolarHBondContact NE-OH 2.91Å; R64-Y214 VanDerWaalsContact NE-OH 3.11Å |
| 65 | A | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.5 | -45.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q61 A62 L67 H68 F69 V130 F132 P139 I141 T207 | Q61-A65 WeakPolarHBondContact O-CB 3.44Å; Q61-A65 PolarHBondContact O-N 2.77Å; A62-A65 PolarHBondContact O-N 2.86Å; A65-L67 VanDerWaalsContact C-N 3.32Å; A65-L67 PolarHBondContact O-N 3.47Å; A65-H68 PolarHBondContact O-N 3.39Å; A65-F69 PolarHBondContact O-N 2.88Å; A65-F69 VanDerWaalsContact O-N 3.09Å; A65-V130 HydrophobicContact CB-CG1 4.46Å; A65-F132 HydrophobicContact CB-CZ 4.43Å; A65-P139 HydrophobicContact CB-CG 4.12Å; A65-I141 VanDerWaalsContact C-CD1 3.41Å; A65-I141 HydrophobicContact CB-CD1 3.92Å; A65-I141 VanDerWaalsContact O-CD1 3.23Å; A65-I141 WeakPolarHBondContact O-CD1 3.01Å; A65-T207 HydrophobicContact CB-CG2 3.86Å |
| 66 | A | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.1 | -39.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A62 A63 R64 F70 F105 A128 V130 I141 V143 | A62-A66 WeakPolarHBondContact O-CB 3.5Å; A62-A66 PolarHBondContact O-N 2.73Å; A63-A66 PolarHBondContact O-N 3.31Å; R64-A66 VanDerWaalsContact C-N 3.27Å; R64-A66 PolarHBondContact O-N 3.07Å; A66-F70 VanDerWaalsContact O-CB 3.31Å; A66-F70 WeakPolarHBondContact O-CB 3.31Å; A66-F70 PolarHBondContact O-N 3.49Å; A66-F105 HydrophobicContact CB-CE1 4.02Å; A66-F105 HydrophobicContact CB-CZ 3.93Å; A66-A128 HydrophobicContact CB-CB 3.52Å; A66-V130 HydrophobicContact CB-CG2 4.08Å; A66-I141 HydrophobicContact CB-CG2 4.17Å; A66-V143 HydrophobicContact CB-CB 4.45Å; A66-V143 HydrophobicContact CB-CG2 4.33Å |
| 67 | L | 97.6 | Very high | 95.5 | Very high | 9 Ų | 9 | 29.9 Ų | 29.9 | 5% | 0.047 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69 | -43.9 | 177.9 | -177.7 | 62.9 | 0 | 0 | 0 | 112.8 | A63 R64 A65 F69 F70 N71 R81 V82 L83 F105 T107 | A63-L67 WeakPolarHBondContact O-CB 3.39Å; A63-L67 PolarHBondContact O-N 2.83Å; R64-L67 WeakPolarHBondContact O-CB 3.35Å; R64-L67 PolarHBondContact O-N 2.83Å; R64-L67 VanDerWaalsContact O-N 3.1Å; A65-L67 VanDerWaalsContact C-N 3.32Å; A65-L67 PolarHBondContact O-N 3.47Å; L67-F69 VanDerWaalsContact C-N 3.33Å; L67-F69 PolarHBondContact O-N 3.06Å; L67-F70 HydrophobicContact CD1-CD1 4.47Å; L67-F70 WeakPolarHBondContact O-CB 3.48Å; L67-F70 PolarHBondContact O-N 3.11Å; L67-N71 PolarHBondContact O-N 3.41Å; L67-R81 HydrophobicContact CD1-CB 3.81Å; L67-V82 VanDerWaalsContact CD2-C 3.44Å; L67-L83 HydrophobicContact CD2-CB 3.8Å; L67-F105 HydrophobicContact CB-CE2 4.36Å; L67-T107 HydrophobicContact CD1-CG2 3.88Å |
| 68 | H | 97.7 | Very high | 95.5 | Very high | 10 Ų | 10 | 24.7 Ų | 24.7 | 5% | 0.046 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58 | -47.9 | 175.1 | -67.8 | -48.2 | 0 | 0 | 0 | 111 | R64 A65 F70 N71 F72 S200 W204 | R64-H68 PolarHBondContact O-CD2 3.42Å; R64-H68 PolarHBondContact O-N 2.94Å; A65-H68 PolarHBondContact O-N 3.39Å; H68-F70 PolarHBondContact O-N 3.4Å; H68-N71 PolarHBondContact O-N 3.1Å; H68-F72 WeakPolarHBondContact O-CB 3.49Å; H68-F72 PolarHBondContact O-N 3.33Å; H68-S200 WeakPolarHBondContact CB-O 3.37Å; H68-W204 HydrophobicContact CB-CB 3.92Å |
| 69 | F | 97.8 | Very high | 95.5 | Very high | 22 Ų | 22 | 24.2 Ų | 24.2 | 10% | 0.096 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.1 | -40.6 | 175.2 | 178.4 | -108.2 | 0 | 0 | 0 | 112.9 | A65 L67 F72 R73 I141 V143 W204 | A65-F69 PolarHBondContact O-N 2.88Å; A65-F69 VanDerWaalsContact O-N 3.09Å; L67-F69 VanDerWaalsContact C-N 3.33Å; L67-F69 PolarHBondContact O-N 3.06Å; F69-F72 HydrophobicContact CD2-CD1 4.38Å; F69-R73 HydrophobicContact CD2-CG 4.29Å; F69-R73 HydrophobicContact CE1-CG 4.25Å; F69-R73 HydrophobicContact CE2-CG 3.99Å; F69-R73 HydrophobicContact CZ-CG 4.02Å; F69-R73 WeakPolarHBondContact O-CB 3.41Å; F69-R73 WeakPolarHBondContact O-CG 3.37Å; F69-R73 PolarHBondContact O-N 2.9Å; F69-I141 HydrophobicContact CB-CB 4.39Å; F69-I141 HydrophobicContact CB-CD1 3.8Å; F69-I141 HydrophobicContact CB-CG2 4.24Å; F69-I141 HydrophobicContact CD1-CB 3.72Å; F69-I141 HydrophobicContact CD1-CG2 3.45Å; F69-I141 VanDerWaalsContact CD1-CG2 3.45Å; F69-I141 HydrophobicContact CE1-CB 4.01Å; F69-I141 HydrophobicContact CE1-CG2 3.99Å; F69-I141 WeakPolarHBondContact CE1-O 3.49Å; F69-I141 HydrophobicContact CG-CB 4.04Å; F69-I141 HydrophobicContact CG-CD1 4.33Å; F69-I141 HydrophobicContact CG-CG2 4.08Å; F69-V143 HydrophobicContact CD1-CG1 3.83Å; F69-V143 HydrophobicContact CE1-CG1 4.3Å; F69-W204 HydrophobicContact CB-CD2 4.37Å; F69-W204 HydrophobicContact CB-CG 4Å; F69-W204 AromaticContact CD2-CD2 3.77Å; F69-W204 HydrophobicContact CD2-CD2 3.77Å; F69-W204 AromaticContact CD2-CE2 3.56Å; F69-W204 HydrophobicContact CD2-CE3 4.13Å; F69-W204 HydrophobicContact CD2-CG 4.29Å; F69-W204 HydrophobicContact CD2-CH2 4.08Å; F69-W204 AromaticContact CD2-CZ2 3.73Å; F69-W204 HydrophobicContact CD2-CZ2 3.73Å; F69-W204 HydrophobicContact CD2-CZ3 4.27Å; F69-W204 AromaticContact CD2-NE1 4Å; F69-W204 HydrophobicContact CE2-CH2 4Å; F69-W204 AromaticContact CE2-CZ2 3.81Å; F69-W204 HydrophobicContact CE2-CZ2 3.81Å |
| 70 | F | 97.3 | Very high | 95.3 | Very high | 37 Ų | 37 | 23.5 Ų | 23.5 | 16% | 0.162 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.9 | -49.4 | 175.3 | 173 | -93.3 | 0 | 0 | 0 | 111.8 | A66 L67 H68 F72 R73 A74 R81 V143 C145 | A66-F70 VanDerWaalsContact O-CB 3.31Å; A66-F70 WeakPolarHBondContact O-CB 3.31Å; A66-F70 PolarHBondContact O-N 3.49Å; L67-F70 HydrophobicContact CD1-CD1 4.47Å; L67-F70 WeakPolarHBondContact O-CB 3.48Å; L67-F70 PolarHBondContact O-N 3.11Å; H68-F70 PolarHBondContact O-N 3.4Å; F70-F72 PolarHBondContact O-N 2.98Å; F70-R73 PolarHBondContact O-N 2.8Å; F70-A74 WeakPolarHBondContact O-CB 3.39Å; F70-A74 PolarHBondContact O-N 2.9Å; F70-R81 HydrophobicContact CE1-CG 4.32Å; F70-V143 HydrophobicContact CB-CG1 4.09Å; F70-C145 HydrophobicContact CD2-CB 4.15Å; F70-C145 HydrophobicContact CE2-CB 3.72Å; F70-C145 HydrophobicContact CZ-CB 4.07Å |
| 71 | N | 96.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.011 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 179.4 | -77.4 | -19.7 | 0 | 0 | 0 | 110.7 | L67 H68 R73 A74 G75 L80 R81 L197 | L67-N71 PolarHBondContact O-N 3.41Å; H68-N71 PolarHBondContact O-N 3.1Å; N71-R73 PolarHBondContact O-N 2.9Å; N71-A74 PolarHBondContact O-N 3.01Å; N71-G75 PolarHBondContact O-N 3.46Å; N71-L80 HydrophobicContact CB-CD2 3.99Å; N71-R81 PolarHBondContact ND2-O 3.26Å; N71-R81 PolarHBondContact OD1-N 3.47Å; N71-R81 VanDerWaalsContact OD1-N 3.11Å; N71-L197 WeakPolarHBondContact O-CD1 3.39Å |
| 72 | F | 95.9 | Very high | 95.3 | Very high | 40 Ų | 40 | 23.5 Ų | 23.5 | 18% | 0.175 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -54.9 | -52.7 | 174.2 | 159.4 | -116.3 | 0 | 0 | 0 | 111.9 | H68 F69 F70 A74 G75 Y201 W204 L262 | H68-F72 WeakPolarHBondContact O-CB 3.49Å; H68-F72 PolarHBondContact O-N 3.33Å; F69-F72 HydrophobicContact CD2-CD1 4.38Å; F70-F72 PolarHBondContact O-N 2.98Å; F72-A74 VanDerWaalsContact C-N 3.29Å; F72-A74 PolarHBondContact O-N 2.78Å; F72-G75 PolarHBondContact O-N 2.72Å; F72-G75 VanDerWaalsContact O-N 3.11Å; F72-Y201 AromaticContact CD1-CD2 3.88Å; F72-Y201 HydrophobicContact CD1-CD2 3.88Å; F72-Y201 AromaticContact CD2-CD2 3.61Å; F72-Y201 HydrophobicContact CD2-CD2 3.61Å; F72-Y201 HydrophobicContact CD2-CG 4.06Å; F72-Y201 AromaticContact CE1-CD2 3.72Å; F72-Y201 HydrophobicContact CE1-CD2 3.72Å; F72-Y201 HydrophobicContact CE1-CE2 4.12Å; F72-Y201 AromaticContact CE2-CD2 3.43Å; F72-Y201 HydrophobicContact CE2-CD2 3.43Å; F72-Y201 VanDerWaalsContact CE2-CD2 3.43Å; F72-Y201 HydrophobicContact CE2-CE2 4.15Å; F72-Y201 HydrophobicContact CE2-CG 4.15Å; F72-Y201 AromaticContact CG-CD2 3.83Å; F72-Y201 HydrophobicContact CG-CD2 3.83Å; F72-Y201 HydrophobicContact CG-CG 4.41Å; F72-Y201 AromaticContact CZ-CD2 3.49Å; F72-Y201 HydrophobicContact CZ-CD2 3.49Å; F72-Y201 VanDerWaalsContact CZ-CD2 3.49Å; F72-Y201 AromaticContact CZ-CE2 3.84Å; F72-Y201 HydrophobicContact CZ-CE2 3.84Å; F72-W204 HydrophobicContact CD1-CE3 4.37Å; F72-W204 HydrophobicContact CD1-CZ3 4.36Å; F72-W204 HydrophobicContact CE1-CZ3 4.2Å; F72-L262 HydrophobicContact CD2-CD2 4.18Å; F72-L262 HydrophobicContact CE2-CB 4.44Å |
| 73 | R | 95.5 | Very high | 95.2 | Very high | 170 Ų | 170 | 25.2 Ų | 25.2 | 64% | 0.642 | 13% | 0.125 | S | C | * | . | H | α-helix | trans | -66.1 | -30 | -178.1 | -78.4 | -162.3 | 66.1 | -170.9 | 5.6 | 113.6 | F69 F70 N71 G75 | F69-R73 HydrophobicContact CD2-CG 4.29Å; F69-R73 HydrophobicContact CE1-CG 4.25Å; F69-R73 HydrophobicContact CE2-CG 3.99Å; F69-R73 HydrophobicContact CZ-CG 4.02Å; F69-R73 WeakPolarHBondContact O-CB 3.41Å; F69-R73 WeakPolarHBondContact O-CG 3.37Å; F69-R73 PolarHBondContact O-N 2.9Å; F70-R73 PolarHBondContact O-N 2.8Å; N71-R73 PolarHBondContact O-N 2.9Å; R73-G75 VanDerWaalsContact C-N 3.27Å |
| 74 | A | 93.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 27.1 Ų | 27.1 | 27% | 0.273 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -67.3 | -31.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F70 N71 F72 S76 | F70-A74 WeakPolarHBondContact O-CB 3.39Å; F70-A74 PolarHBondContact O-N 2.9Å; N71-A74 PolarHBondContact O-N 3.01Å; F72-A74 VanDerWaalsContact C-N 3.29Å; F72-A74 PolarHBondContact O-N 2.78Å; A74-S76 PolarHBondContact O-N 3.33Å; A74-S76 VanDerWaalsContact O-N 3.12Å |
| 75 | G | 94.4 | Very high | 95 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 27.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N71 F72 R73 W256 | N71-G75 PolarHBondContact O-N 3.46Å; F72-G75 PolarHBondContact O-N 2.72Å; F72-G75 VanDerWaalsContact O-N 3.11Å; R73-G75 VanDerWaalsContact C-N 3.27Å; G75-W256 PolarHBondContact O-NE1 2.88Å |
| 76 | S | 94.3 | Very high | 95 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | trans | -136.5 | 111.6 | -168.2 | 166.8 | 0 | 0 | 0 | 0 | 109.6 | A74 S78 A79 L80 R154 D158 | A74-S76 PolarHBondContact O-N 3.33Å; A74-S76 VanDerWaalsContact O-N 3.12Å; S76-S78 PolarHBondContact O-N 2.04Å; S76-A79 PolarHBondContact O-N 3.49Å; S76-A79 PolarHBondContact OG-N 2.8Å; S76-L80 PolarHBondContact O-N 2.95Å; S76-R154 WeakPolarHBondContact OG-CD 3.47Å; S76-R154 VanDerWaalsContact OG-CG 3.3Å; S76-R154 WeakPolarHBondContact OG-CG 3.37Å; S76-D158 VanDerWaalsContact CB-OD2 3.3Å; S76-D158 WeakPolarHBondContact CB-OD2 3.38Å; S76-D158 PolarHBondContact OG-OD1 3.44Å; S76-D158 PolarHBondContact OG-OD2 3.28Å | ||
| 77 | P | 92.8 | Very high | 94.8 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 7% | 0.071 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -57.1 | -35.7 | 175 | -28.1 | 38.2 | 0 | 0 | 0 | 112.7 | A79 L80 L161 D193 L194 L197 W256 | P77-A79 PolarHBondContact O-N 2.86Å; P77-L80 WeakPolarHBondContact O-CB 3.39Å; P77-L80 WeakPolarHBondContact O-CG 3.42Å; P77-L80 PolarHBondContact O-N 2.66Å; P77-L161 HydrophobicContact CB-CD2 3.46Å; P77-L161 VanDerWaalsContact CB-CD2 3.46Å; P77-L161 HydrophobicContact CG-CD2 3.56Å; P77-D193 HydrophobicContact CB-CB 4.28Å; P77-L194 HydrophobicContact CG-CD2 3.57Å; P77-L194 HydrophobicContact CG-CG 4.13Å; P77-L197 HydrophobicContact CG-CD2 4Å; P77-W256 HydrophobicContact CG-CZ2 4.16Å |
| 78 | S | 90.5 | Very high | 94.7 | Very high | 31 Ų | 31 | 41.7 Ų | 41.7 | 22% | 0.217 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -67 | -24.5 | 176.5 | -69.4 | 0 | 0 | 0 | 0 | 113.6 | S76 I149 E157 D158 | S76-S78 PolarHBondContact O-N 2.04Å; S78-I149 WeakPolarHBondContact O-CD1 3.46Å; S78-E157 WeakPolarHBondContact CB-OE2 3.37Å; S78-E157 WeakPolarHBondContact OG-CB 3.32Å; S78-E157 PolarHBondContact OG-OE2 2.83Å; S78-D158 WeakPolarHBondContact CB-OD1 3.36Å; S78-D158 PolarHBondContact N-OD1 3.5Å; S78-D158 PolarHBondContact OG-OD1 3.04Å |
| 79 | A | 91.1 | Very high | 94.6 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -96.5 | 7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S76 P77 R81 R154 | S76-A79 PolarHBondContact O-N 3.49Å; S76-A79 PolarHBondContact OG-N 2.8Å; P77-A79 PolarHBondContact O-N 2.86Å; A79-R81 WeakPolarHBondContact O-CG 3.46Å; A79-R154 HydrophobicContact CB-CG 4.3Å |
| 80 | L | 92.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | trans | -58.2 | 138.5 | 179.6 | -77.7 | 174.6 | 0 | 0 | 0 | 112.1 | N71 S76 P77 Y110 D193 F196 L197 | N71-L80 HydrophobicContact CB-CD2 3.99Å; S76-L80 PolarHBondContact O-N 2.95Å; P77-L80 WeakPolarHBondContact O-CB 3.39Å; P77-L80 WeakPolarHBondContact O-CG 3.42Å; P77-L80 PolarHBondContact O-N 2.66Å; L80-Y110 HydrophobicContact CB-CD1 4.4Å; L80-Y110 HydrophobicContact CB-CG 4.36Å; L80-Y110 HydrophobicContact CD1-CD1 4.22Å; L80-Y110 WeakPolarHBondContact O-CB 3.4Å; L80-Y110 PolarHBondContact O-N 3.44Å; L80-D193 HydrophobicContact CD1-CB 4.08Å; L80-F196 HydrophobicContact CD1-CD1 4.02Å; L80-F196 HydrophobicContact CD2-CD1 3.83Å; L80-F196 HydrophobicContact CD2-CE1 4.19Å; L80-F196 HydrophobicContact CG-CD1 4.49Å; L80-L197 HydrophobicContact CD2-CB 4.24Å; L80-L197 HydrophobicContact CD2-CD1 3.72Å | ||
| 81 | R | 94.1 | Very high | 94.3 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 6% | 0.057 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 155.3 | -178.7 | -62.3 | -172.3 | -165.5 | -167.6 | 3.5 | 112.9 | L67 F70 N71 A79 T107 E108 T146 L148 | L67-R81 HydrophobicContact CD1-CB 3.81Å; F70-R81 HydrophobicContact CE1-CG 4.32Å; N71-R81 PolarHBondContact ND2-O 3.26Å; N71-R81 PolarHBondContact OD1-N 3.47Å; N71-R81 VanDerWaalsContact OD1-N 3.11Å; A79-R81 WeakPolarHBondContact O-CG 3.46Å; R81-T107 WeakPolarHBondContact CD-OG1 3.41Å; R81-T107 PolarHBondContact NH1-OG1 3.43Å; R81-E108 CarbonylContact C-O 3.56Å; R81-E108 WeakPolarHBondContact CA-O 2.96Å; R81-E108 WeakPolarHBondContact CB-O 3.37Å; R81-T146 VanDerWaalsContact CZ-O 3.22Å; R81-T146 PolarHBondContact NH1-O 3.06Å; R81-T146 PolarHBondContact NH2-O 3.14Å; R81-L148 HydrophobicContact CG-CD1 4.24Å |
| 82 | V | 93.8 | Very high | 94.2 | Very high | 47 Ų | 47 | 49.7 Ų | 49.7 | 29% | 0.285 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 152.6 | 170.8 | -71.1 | 0 | 0 | 0 | 0 | 110.5 | L67 A84 T107 E108 Y110 | L67-V82 VanDerWaalsContact CD2-C 3.44Å; V82-A84 PolarHBondContact O-N 2.81Å; V82-T107 CarbonylContact O-C 3.53Å; V82-T107 WeakPolarHBondContact O-CA 3.4Å; V82-T107 WeakPolarHBondContact O-CB 3.42Å; V82-E108 HydrophobicContact CG2-CB 4.03Å; V82-E108 HydrophobicContact CG2-CG 4.43Å; V82-E108 PolarHBondContact N-O 3.08Å; V82-E108 PolarHBondContact O-N 3.26Å; V82-Y110 HydrophobicContact CG1-CD2 3.55Å; V82-Y110 HydrophobicContact CG1-CE2 4.26Å; V82-Y110 HydrophobicContact CG1-CG 4.5Å |
| 83 | L | 95 | Very high | 94 | Very high | 37 Ų | 37 | 52.1 Ų | 52.1 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 125.1 | 176.2 | 176.9 | 64.3 | 0 | 0 | 0 | 107.9 | A63 R64 L67 F105 | A63-L83 HydrophobicContact CB-CD1 3.93Å; A63-L83 HydrophobicContact CB-CD2 4.08Å; R64-L83 HydrophobicContact CG-CD2 3.55Å; L67-L83 HydrophobicContact CD2-CB 3.8Å; L83-F105 HydrophobicContact CD1-CB 3.78Å; L83-F105 HydrophobicContact CD1-CD2 3.44Å; L83-F105 VanDerWaalsContact CD1-CD2 3.44Å; L83-F105 HydrophobicContact CD1-CE2 4.28Å; L83-F105 HydrophobicContact CD1-CG 3.9Å |
| 84 | A | 94.2 | Very high | 93.7 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 33% | 0.331 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -65.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | V82 S106 E108 L123 | V82-A84 PolarHBondContact O-N 2.81Å; A84-S106 WeakPolarHBondContact CB-OG 3.49Å; A84-S106 PolarHBondContact N-O 2.92Å; A84-E108 HydrophobicContact CB-CG 3.58Å; A84-E108 WeakPolarHBondContact CB-OE1 3.34Å; A84-L123 HydrophobicContact CB-CD2 3.89Å |
| 85 | E | 95 | Very high | 93.3 | Very high | 120 Ų | 120 | 50.4 Ų | 50.4 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150 | 146.1 | -175.8 | -175.3 | 175 | -153.7 | 0 | 0 | 111.8 | F105 S106 | E85-F105 CarbonylContact O-C 3.53Å; E85-F105 WeakPolarHBondContact O-CA 3.07Å; E85-F105 VanDerWaalsContact O-CB 3.25Å; E85-F105 WeakPolarHBondContact O-CB 3.45Å; E85-S106 PolarHBondContact N-OG 3.21Å; E85-S106 VanDerWaalsContact N-OG 3.16Å; E85-S106 PolarHBondContact O-N 3.46Å; E85-S106 PolarHBondContact O-OG 3.28Å |
| 86 | V | 96.9 | Very high | 92.9 | Very high | 33 Ų | 33 | 59.2 Ų | 59.2 | 20% | 0.2 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.6 | 166.4 | 176.9 | 0 | 0 | 0 | 0 | 108.6 | L59 Q60 A63 V103 F105 | L59-V86 HydrophobicContact CB-CG1 3.98Å; L59-V86 HydrophobicContact CD1-CG1 4.49Å; Q60-V86 HydrophobicContact CG-CG2 4.04Å; A63-V86 HydrophobicContact CB-CG2 3.76Å; V86-V103 HydrophobicContact CG1-CG2 3.78Å; V86-F105 HydrophobicContact CG2-CB 4.47Å |
| 87 | Q | 94.9 | Very high | 92.5 | Very high | 86 Ų | 86 | 66 Ų | 66 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -51.9 | -175.6 | -60.4 | -177.5 | -26.1 | 0 | 0 | 111 | V104 K125 | Q87-V104 HydrophobicContact CB-CG1 4.39Å; Q87-V104 PolarHBondContact N-O 3.43Å; Q87-K125 VanDerWaalsContact OE1-CE 3.25Å |
| 88 | E | 94.4 | Very high | 92.5 | Very high | 119 Ų | 119 | 65.7 Ų | 65.7 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 154.6 | -173.4 | -61.9 | 166.8 | -148.5 | 0 | 0 | 109.7 | V104 | E88-V104 HydrophobicContact CB-CB 4.24Å; E88-V104 PolarHBondContact N-O 3.22Å; E88-V104 PolarHBondContact O-N 2.8Å |
| 89 | G | 95.2 | Very high | 92.6 | Very high | 28 Ų | 28 | 64.6 Ų | 64.6 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.4 | 159.8 | 172 | 0 | 0 | 0 | 0 | 0 | 114.2 | D102 | G89-D102 CarbonylContact C-O 3.59Å; G89-D102 WeakPolarHBondContact CA-O 3.23Å |
| 90 | R | 95.4 | Very high | 92.8 | Very high | 148 Ų | 148 | 67.9 Ų | 67.9 | 56% | 0.558 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 143.5 | 173.8 | -67.9 | -174.8 | -64.3 | -90.8 | -3.5 | 108.8 | W92 V101 D102 | R90-W92 HydrophobicContact CB-CH2 4.09Å; R90-W92 HydrophobicContact CB-CZ2 4.48Å; R90-W92 HydrophobicContact CB-CZ3 4.3Å; R90-V101 CarbonylContact O-C 3.48Å; R90-V101 WeakPolarHBondContact O-CA 3.02Å; R90-D102 PolarHBondContact N-O 2.84Å; R90-D102 PolarHBondContact O-N 3.36Å |
| 91 | A | 94.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 67.6 Ų | 67.6 | 9% | 0.091 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 145.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V54 L58 K100 V101 | V54-A91 HydrophobicContact CB-CB 4.42Å; V54-A91 HydrophobicContact CG1-CB 3.46Å; V54-A91 VanDerWaalsContact CG1-CB 3.46Å; V54-A91 HydrophobicContact CG2-CB 4.06Å; L58-A91 HydrophobicContact CD2-CB 3.83Å; A91-K100 CarbonylContact C-O 3.49Å; A91-K100 VanDerWaalsContact CA-O 3.28Å; A91-K100 WeakPolarHBondContact CA-O 3.48Å; A91-V101 HydrophobicContact CB-CG2 4.15Å |
| 92 | W | 93.6 | Very high | 93.3 | Very high | 51 Ų | 51 | 68 Ų | 68 | 19% | 0.193 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 115.9 | 168.3 | -60 | -93.5 | 0 | 0 | 0 | 106.7 | R90 C99 K100 D102 | R90-W92 HydrophobicContact CB-CH2 4.09Å; R90-W92 HydrophobicContact CB-CZ2 4.48Å; R90-W92 HydrophobicContact CB-CZ3 4.3Å; W92-C99 CarbonylContact O-C 3.59Å; W92-C99 VanDerWaalsContact O-CA 3.27Å; W92-C99 WeakPolarHBondContact O-CA 3.4Å; W92-K100 HydrophobicContact CB-CB 4.49Å; W92-K100 HydrophobicContact CE3-CB 4.23Å; W92-K100 HydrophobicContact CE3-CD 4.19Å; W92-K100 HydrophobicContact CE3-CG 4.03Å; W92-K100 HydrophobicContact CZ3-CD 4.49Å; W92-K100 HydrophobicContact CZ3-CG 4.4Å; W92-K100 PolarHBondContact N-O 2.8Å; W92-K100 PolarHBondContact O-N 2.78Å; W92-D102 HydrophobicContact CH2-CB 4.27Å; W92-D102 WeakPolarHBondContact CH2-OD2 3.5Å; W92-D102 HydrophobicContact CZ3-CB 3.97Å |
| 93 | I | 91.8 | Very high | 93.5 | Very high | 91 Ų | 91 | 65.9 Ų | 65.9 | 47% | 0.467 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123.3 | -174.9 | -57.5 | 174.5 | 0 | 0 | 0 | 107.9 | L58 C99 | L58-I93 HydrophobicContact CD2-CD1 4.35Å; I93-C99 HydrophobicContact CG1-CB 4.16Å |
| 94 | N | 90 | Very high | 93.6 | Very high | 52 Ų | 52 | 65.3 Ų | 65.3 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 112.5 | 170.8 | -178.6 | -28.7 | 0 | 0 | 0 | 108 | K96 E97 G98 | N94-K96 PolarHBondContact O-N 2.88Å; N94-K96 WeakPolarHBondContact OD1-CB 3.44Å; N94-K96 PolarHBondContact OD1-N 2.82Å; N94-E97 HydrophobicContact CB-CB 4.1Å; N94-E97 PolarHBondContact ND2-OE2 3.38Å; N94-E97 PolarHBondContact O-N 2.87Å; N94-E97 PolarHBondContact OD1-N 2.84Å; N94-G98 CarbonylContact C-O 3.59Å; N94-G98 WeakPolarHBondContact CA-O 3.4Å; N94-G98 PolarHBondContact N-O 2.81Å; N94-G98 PolarHBondContact O-N 2.71Å |
| 95 | P | 85.6 | Confident | 93.8 | Very high | 115 Ų | 115 | 63.4 Ų | 63.4 | 75% | 0.747 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -25.7 | -179.1 | -27.5 | 35.1 | 0 | 0 | 0 | 114.5 | N134 | P95-N134 PolarHBondContact O-ND2 3.43Š|
| 96 | K | 86.3 | Confident | 93.8 | Very high | 190 Ų | 190 | 57.8 Ų | 57.8 | 83% | 0.826 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -39 | 179.9 | -62.3 | -177.3 | -179.6 | 178.8 | 0 | 113.1 | N94 N134 | N94-K96 PolarHBondContact O-N 2.88Å; N94-K96 WeakPolarHBondContact OD1-CB 3.44Å; N94-K96 PolarHBondContact OD1-N 2.82Å; K96-N134 PolarHBondContact O-ND2 3.41Å; K96-N134 VanDerWaalsContact O-ND2 3.09Å |
| 97 | E | 86.1 | Confident | 93.8 | Very high | 145 Ų | 145 | 56.2 Ų | 56.2 | 68% | 0.678 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -25.7 | -169.7 | -62.7 | -178.7 | 164.2 | 0 | 0 | 114.1 | N94 | N94-E97 HydrophobicContact CB-CB 4.1Å; N94-E97 PolarHBondContact ND2-OE2 3.38Å; N94-E97 PolarHBondContact O-N 2.87Å; N94-E97 PolarHBondContact OD1-N 2.84Å |
| 98 | G | 91.4 | Very high | 93.6 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 119.1 | -151.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N94 F132 N134 | N94-G98 CarbonylContact C-O 3.59Å; N94-G98 WeakPolarHBondContact CA-O 3.4Å; N94-G98 PolarHBondContact N-O 2.81Å; N94-G98 PolarHBondContact O-N 2.71Å; G98-F132 CarbonylContact C-O 3.55Å; G98-F132 WeakPolarHBondContact CA-O 3.46Å; G98-N134 VanDerWaalsContact CA-OD1 3.23Å; G98-N134 WeakPolarHBondContact CA-OD1 3.46Å; G98-N134 PolarHBondContact N-ND2 3.47Å |
| 99 | C | 93.4 | Very high | 93.3 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 5% | 0.054 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 141 | -178 | 67.7 | 0 | 0 | 0 | 0 | 112 | W92 I93 F132 Q209 | W92-C99 CarbonylContact O-C 3.59Å; W92-C99 VanDerWaalsContact O-CA 3.27Å; W92-C99 WeakPolarHBondContact O-CA 3.4Å; I93-C99 HydrophobicContact CG1-CB 4.16Å; C99-F132 PolarHBondContact N-O 3.4Å; C99-F132 PolarHBondContact O-N 3.03Å; C99-F132 VanDerWaalsContact SG-CD2 3.58Å; C99-Q209 PolarHBondContact SG-NE2 3.39Å; C99-Q209 VanDerWaalsContact SG-NE2 3.45Å |
| 100 | K | 96.2 | Very high | 92.9 | Very high | 79 Ų | 79 | 54 Ų | 54 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.6 | 171.5 | 179.5 | -179.2 | 72.8 | -167.2 | 0 | 107.6 | A91 W92 R129 V130 V131 | A91-K100 CarbonylContact C-O 3.49Å; A91-K100 VanDerWaalsContact CA-O 3.28Å; A91-K100 WeakPolarHBondContact CA-O 3.48Å; W92-K100 HydrophobicContact CB-CB 4.49Å; W92-K100 HydrophobicContact CE3-CB 4.23Å; W92-K100 HydrophobicContact CE3-CD 4.19Å; W92-K100 HydrophobicContact CE3-CG 4.03Å; W92-K100 HydrophobicContact CZ3-CD 4.49Å; W92-K100 HydrophobicContact CZ3-CG 4.4Å; W92-K100 PolarHBondContact N-O 2.8Å; W92-K100 PolarHBondContact O-N 2.78Å; K100-R129 HydrophobicContact CG-CG 4.44Å; K100-V130 CarbonylContact C-O 3.58Å; K100-V130 WeakPolarHBondContact CA-O 3.09Å; K100-V131 HydrophobicContact CG-CG2 4.23Å |
| 101 | V | 97.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 120 | -178.4 | -172 | 0 | 0 | 0 | 0 | 109 | L58 L59 A62 R90 A91 V103 R129 V130 F132 | L58-V101 HydrophobicContact CD1-CG2 4.05Å; L58-V101 HydrophobicContact CD2-CG2 4Å; L58-V101 HydrophobicContact CG-CG2 3.86Å; L59-V101 HydrophobicContact CD2-CG1 3.61Å; A62-V101 HydrophobicContact CB-CB 3.81Å; A62-V101 HydrophobicContact CB-CG1 3.59Å; A62-V101 HydrophobicContact CB-CG2 4.31Å; R90-V101 CarbonylContact O-C 3.48Å; R90-V101 WeakPolarHBondContact O-CA 3.02Å; A91-V101 HydrophobicContact CB-CG2 4.15Å; V101-V103 HydrophobicContact CG1-CB 4.33Å; V101-R129 CarbonylContact O-C 3.53Å; V101-R129 WeakPolarHBondContact O-CA 3.31Å; V101-V130 PolarHBondContact N-O 3.11Å; V101-V130 PolarHBondContact O-N 2.78Å; V101-F132 HydrophobicContact CG2-CD2 4.38Å; V101-F132 HydrophobicContact CG2-CE2 4.25Å |
| 102 | D | 98.1 | Very high | 90 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 120.9 | 166.4 | -74.9 | -6.8 | 0 | 0 | 0 | 107.1 | G89 R90 W92 A128 R129 | G89-D102 CarbonylContact C-O 3.59Å; G89-D102 WeakPolarHBondContact CA-O 3.23Å; R90-D102 PolarHBondContact N-O 2.84Å; R90-D102 PolarHBondContact O-N 3.36Å; W92-D102 HydrophobicContact CH2-CB 4.27Å; W92-D102 WeakPolarHBondContact CH2-OD2 3.5Å; W92-D102 HydrophobicContact CZ3-CB 3.97Å; D102-A128 CarbonylContact C-O 3.57Å; D102-A128 WeakPolarHBondContact CA-O 3.42Å; D102-R129 WeakPolarHBondContact OD1-CB 3.45Å; D102-R129 VanDerWaalsContact OD1-CG 3.28Å; D102-R129 WeakPolarHBondContact OD1-CG 3.24Å; D102-R129 IonicContact OD1-CZ 2.9Å; D102-R129 IonicContact OD1-NE 2.54Å; D102-R129 PolarHBondContact OD1-NE 3.22Å; D102-R129 IonicContact OD1-NH2 3.58Å; D102-R129 IonicContact OD2-CZ 3.74Å; D102-R129 IonicContact OD2-NE 3.41Å; D102-R129 IonicContact OD2-NH2 3.03Å; D102-R129 PolarHBondContact OD2-NH2 3.11Å |
| 103 | V | 98.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 141.2 | -172.8 | 64.3 | 0 | 0 | 0 | 0 | 111.6 | A62 A63 V86 V101 F105 S127 A128 | A62-V103 HydrophobicContact CB-CG1 4.07Å; A63-V103 HydrophobicContact CB-CG2 4.23Å; V86-V103 HydrophobicContact CG1-CG2 3.78Å; V101-V103 HydrophobicContact CG1-CB 4.33Å; V103-F105 HydrophobicContact CG1-CD1 4.1Å; V103-F105 HydrophobicContact CG1-CE1 4.25Å; V103-F105 HydrophobicContact CG2-CD1 4.37Å; V103-S127 WeakPolarHBondContact O-CA 3.17Å; V103-A128 HydrophobicContact CG1-CB 4.09Å; V103-A128 PolarHBondContact N-O 3.01Å; V103-A128 PolarHBondContact O-N 3.23Å |
| 104 | V | 98 | Very high | 86 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.1 | 173.5 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | Q87 E88 K125 C126 | Q87-V104 HydrophobicContact CB-CG1 4.39Å; Q87-V104 PolarHBondContact N-O 3.43Å; E88-V104 HydrophobicContact CB-CB 4.24Å; E88-V104 PolarHBondContact N-O 3.22Å; E88-V104 PolarHBondContact O-N 2.8Å; V104-K125 HydrophobicContact CG1-CD 4.27Å; V104-K125 HydrophobicContact CG1-CG 4.15Å; V104-C126 WeakPolarHBondContact CA-O 3.06Å |
| 105 | F | 97.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 153.8 | -174.8 | 60.1 | -84.4 | 0 | 0 | 0 | 111.7 | A63 A66 L67 L83 E85 V86 V103 T107 C126 A128 V143 | A63-F105 HydrophobicContact CB-CB 4.08Å; A63-F105 HydrophobicContact CB-CD1 3.78Å; A63-F105 HydrophobicContact CB-CD2 4.31Å; A63-F105 HydrophobicContact CB-CE1 4.24Å; A63-F105 HydrophobicContact CB-CG 3.81Å; A66-F105 HydrophobicContact CB-CE1 4.02Å; A66-F105 HydrophobicContact CB-CZ 3.93Å; L67-F105 HydrophobicContact CB-CE2 4.36Å; L83-F105 HydrophobicContact CD1-CB 3.78Å; L83-F105 HydrophobicContact CD1-CD2 3.44Å; L83-F105 VanDerWaalsContact CD1-CD2 3.44Å; L83-F105 HydrophobicContact CD1-CE2 4.28Å; L83-F105 HydrophobicContact CD1-CG 3.9Å; E85-F105 CarbonylContact O-C 3.53Å; E85-F105 WeakPolarHBondContact O-CA 3.07Å; E85-F105 VanDerWaalsContact O-CB 3.25Å; E85-F105 WeakPolarHBondContact O-CB 3.45Å; V86-F105 HydrophobicContact CG2-CB 4.47Å; V103-F105 HydrophobicContact CG1-CD1 4.1Å; V103-F105 HydrophobicContact CG1-CE1 4.25Å; V103-F105 HydrophobicContact CG2-CD1 4.37Å; F105-T107 HydrophobicContact CD2-CG2 3.71Å; F105-T107 HydrophobicContact CE2-CG2 3.57Å; F105-C126 HydrophobicContact CD1-CB 4.09Å; F105-C126 HydrophobicContact CD2-CB 3.89Å; F105-C126 HydrophobicContact CE1-CB 3.7Å; F105-C126 HydrophobicContact CE2-CB 3.49Å; F105-C126 VanDerWaalsContact CE2-CB 3.49Å; F105-C126 HydrophobicContact CG-CB 4.19Å; F105-C126 HydrophobicContact CZ-CB 3.39Å; F105-C126 PolarHBondContact N-O 3.43Å; F105-C126 PolarHBondContact O-N 3.44Å; F105-A128 HydrophobicContact CE1-CB 3.97Å; F105-V143 HydrophobicContact CZ-CG2 4.48Å |
| 106 | S | 96.4 | Very high | 81.8 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 150.8 | 171.6 | 51.7 | 0 | 0 | 0 | 0 | 110.7 | A84 E85 G124 | A84-S106 WeakPolarHBondContact CB-OG 3.49Å; A84-S106 PolarHBondContact N-O 2.92Å; E85-S106 PolarHBondContact N-OG 3.21Å; E85-S106 VanDerWaalsContact N-OG 3.16Å; E85-S106 PolarHBondContact O-N 3.46Å; E85-S106 PolarHBondContact O-OG 3.28Å; S106-G124 CarbonylContact C-O 3.59Å; S106-G124 WeakPolarHBondContact CA-O 3.49Å |
| 107 | T | 95.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 148.3 | -179.2 | 54.5 | 0 | 0 | 0 | 0 | 109.8 | L67 R81 V82 F105 L123 G124 C126 | L67-T107 HydrophobicContact CD1-CG2 3.88Å; R81-T107 WeakPolarHBondContact CD-OG1 3.41Å; R81-T107 PolarHBondContact NH1-OG1 3.43Å; V82-T107 CarbonylContact O-C 3.53Å; V82-T107 WeakPolarHBondContact O-CA 3.4Å; V82-T107 WeakPolarHBondContact O-CB 3.42Å; F105-T107 HydrophobicContact CD2-CG2 3.71Å; F105-T107 HydrophobicContact CE2-CG2 3.57Å; T107-L123 CarbonylContact O-C 3.51Å; T107-L123 WeakPolarHBondContact O-CA 3.33Å; T107-G124 PolarHBondContact N-O 3.3Å; T107-G124 PolarHBondContact O-N 3.27Å; T107-G124 PolarHBondContact OG1-O 2.92Å; T107-C126 VanDerWaalsContact CG2-SG 3.6Å |
| 108 | E | 91.6 | Very high | 77.8 | Confident | 67 Ų | 67 | 65 Ų | 65 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 161.1 | 173 | -32.4 | -160.5 | 172.4 | 0 | 0 | 109.2 | R81 V82 A84 Y110 L123 | R81-E108 CarbonylContact C-O 3.56Å; R81-E108 WeakPolarHBondContact CA-O 2.96Å; R81-E108 WeakPolarHBondContact CB-O 3.37Å; V82-E108 HydrophobicContact CG2-CB 4.03Å; V82-E108 HydrophobicContact CG2-CG 4.43Å; V82-E108 PolarHBondContact N-O 3.08Å; V82-E108 PolarHBondContact O-N 3.26Å; A84-E108 HydrophobicContact CB-CG 3.58Å; A84-E108 WeakPolarHBondContact CB-OE1 3.34Å; E108-Y110 PolarHBondContact O-N 3.19Å; E108-L123 HydrophobicContact CB-CD2 4.49Å; E108-L123 HydrophobicContact CG-CD2 3.54Å; E108-L123 WeakPolarHBondContact OE1-CD2 3.5Å |
| 109 | R | 88.8 | Confident | 75.5 | Confident | 73 Ų | 73 | 67.5 Ų | 67.5 | 28% | 0.275 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 135.9 | 166.5 | -66.2 | -170.3 | -178.4 | -160.4 | 6.6 | 108.8 | K111 L148 I149 | R109-K111 PolarHBondContact O-N 3.1Å; R109-K111 VanDerWaalsContact O-N 3.12Å; R109-L148 HydrophobicContact CG-CB 4.33Å; R109-L148 HydrophobicContact CG-CD1 3.96Å; R109-L148 PolarHBondContact NH2-O 3.24Å; R109-I149 VanDerWaalsContact CZ-CD1 3.41Å; R109-I149 VanDerWaalsContact NH1-CD1 3.3Å; R109-I149 VanDerWaalsContact NH2-CG1 3.34Å |
| 110 | Y | 85.5 | Confident | 73.1 | Confident | 47 Ų | 47 | 77.1 Ų | 77.1 | 18% | 0.184 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -58.6 | -26.2 | 176 | -179.9 | -120.4 | 0 | 0 | 0 | 113 | L80 V82 E108 W192 F196 | L80-Y110 HydrophobicContact CB-CD1 4.4Å; L80-Y110 HydrophobicContact CB-CG 4.36Å; L80-Y110 HydrophobicContact CD1-CD1 4.22Å; L80-Y110 WeakPolarHBondContact O-CB 3.4Å; L80-Y110 PolarHBondContact O-N 3.44Å; V82-Y110 HydrophobicContact CG1-CD2 3.55Å; V82-Y110 HydrophobicContact CG1-CE2 4.26Å; V82-Y110 HydrophobicContact CG1-CG 4.5Å; E108-Y110 PolarHBondContact O-N 3.19Å; Y110-W192 AromaticContact CZ-NE1 3.82Å; Y110-W192 PolarHBondContact OH-NE1 3.46Å; Y110-F196 HydrophobicContact CD2-CZ 4.5Å; Y110-F196 HydrophobicContact CE2-CD2 4.42Å; Y110-F196 HydrophobicContact CE2-CE2 4.1Å; Y110-F196 HydrophobicContact CE2-CZ 4.33Å |
| 111 | K | 74.4 | Confident | 71 | Confident | 67 Ų | 67 | 76.4 Ų | 76.4 | 29% | 0.291 | 41% | 0.409 | S | S | . | . | trans | -124.2 | 96.1 | 175.9 | -62.7 | -173.1 | -176.3 | -173.1 | 0 | 110.8 | R109 R189 D193 | R109-K111 PolarHBondContact O-N 3.1Å; R109-K111 VanDerWaalsContact O-N 3.12Å; K111-R189 VanDerWaalsContact CE-NE 3.33Å; K111-R189 VanDerWaalsContact NZ-CG 3.27Å; K111-D193 WeakPolarHBondContact CE-OD1 3.49Å; K111-D193 WeakPolarHBondContact CE-OD2 3.18Å; K111-D193 VanDerWaalsContact NZ-CG 3.33Å; K111-D193 IonicContact NZ-OD1 2.93Å; K111-D193 PolarHBondContact NZ-OD1 2.71Å; K111-D193 IonicContact NZ-OD2 3.52Å; K111-D193 PolarHBondContact NZ-OD2 2.9Å | ||
| 112 | P | 55.2 | Low | 69.5 | Low | 68 Ų | 68 | 84.7 Ų | 84.7 | 44% | 0.442 | 44% | 0.44 | S | S | . | . | trans | -78.8 | -23.3 | 172.7 | 29 | -31.1 | 0 | 0 | 0 | 112.5 | S114 | P112-S114 VanDerWaalsContact C-N 3.34Å; P112-S114 PolarHBondContact O-N 3.07Å | ||
| 113 | E | 54.4 | Low | 68.5 | Low | 178 Ų | 178 | 88 Ų | 88 | 83% | 0.832 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -13.4 | -169.1 | -68.9 | -178.8 | 168.1 | 0 | 0 | 115.4 | L115 | E113-L115 PolarHBondContact O-N 3.32Š|
| 114 | S | 47.3 | Very low | 68.1 | Low | 83 Ų | 83 | 88 Ų | 88 | 58% | 0.58 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -8 | -173.6 | 58.2 | 0 | 0 | 0 | 0 | 115 | P112 | P112-S114 VanDerWaalsContact C-N 3.34Å; P112-S114 PolarHBondContact O-N 3.07Å |
| 115 | L | 43.2 | Very low | 68 | Low | 96 Ų | 96 | 91.6 Ų | 91.6 | 50% | 0.503 | 47% | 0.471 | S | S | . | . | trans | -150.7 | 117.4 | 170.2 | -68.3 | 173.8 | 0 | 0 | 0 | 110.6 | E113 Q117 | E113-L115 PolarHBondContact O-N 3.32Å; L115-Q117 PolarHBondContact O-N 2.98Å | ||
| 116 | L | 42.9 | Very low | 68 | Low | 181 Ų | 181 | 91.7 Ų | 91.7 | 95% | 0.948 | 47% | 0.471 | S | S | * | . | trans | -56.4 | 75.5 | 156.5 | -66.9 | 164.3 | 0 | 0 | 0 | 109.6 | ||||
| 117 | Q | 43.3 | Very low | 68.1 | Low | 162 Ų | 162 | 94.9 Ų | 94.9 | 76% | 0.757 | 49% | 0.493 | S | S | * | . | trans | -126.1 | 84.9 | 167.8 | -156.1 | 96.4 | 79.2 | 0 | 0 | 106.5 | L115 G119 | L115-Q117 PolarHBondContact O-N 2.98Å; Q117-G119 PolarHBondContact O-N 3.43Å | ||
| 118 | E | 46.6 | Very low | 68.3 | Low | 199 Ų | 199 | 95.1 Ų | 95.1 | 93% | 0.93 | 50% | 0.495 | S | S | * | . | trans | -55.1 | 124.7 | 162.4 | -66.6 | -179.5 | 160.2 | 0 | 0 | 108.4 | ||||
| 119 | G | 42.8 | Very low | 68.6 | Low | 57 Ų | 57 | 97.9 Ų | 97.9 | 59% | 0.588 | 50% | 0.503 | S | S | * | . | trans | 163.3 | 123.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q117 | Q117-G119 PolarHBondContact O-N 3.43Š| ||
| 120 | E | 42.1 | Very low | 69 | Low | 210 Ų | 210 | 94.4 Ų | 94.4 | 98% | 0.981 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -41.2 | 132.7 | 176 | -69 | 166.4 | 139.8 | 0 | 0 | 112.9 | ||
| 121 | G | 52.4 | Low | 69.6 | Low | 63 Ų | 63 | 94.9 Ų | 94.9 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | trans | 132.6 | 15.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | L123 | G121-L123 VanDerWaalsContact C-N 3.3Å; G121-L123 PolarHBondContact O-N 3.21Å | ||
| 122 | R | 65.1 | Low | 70.6 | Confident | 174 Ų | 174 | 91.8 Ų | 91.8 | 66% | 0.657 | 48% | 0.484 | S | S | * | . | trans | -67.8 | -27.2 | -178.7 | -62.2 | 178.3 | 80.8 | 168.2 | 3.9 | 113.7 | ||||
| 123 | L | 78.6 | Confident | 72.4 | Confident | 95 Ų | 95 | 94.8 Ų | 94.8 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.9 | -175.6 | -57.7 | -176.1 | 0 | 0 | 0 | 111.3 | A84 T107 E108 G121 | A84-L123 HydrophobicContact CB-CD2 3.89Å; T107-L123 CarbonylContact O-C 3.51Å; T107-L123 WeakPolarHBondContact O-CA 3.33Å; E108-L123 HydrophobicContact CB-CD2 4.49Å; E108-L123 HydrophobicContact CG-CD2 3.54Å; E108-L123 WeakPolarHBondContact OE1-CD2 3.5Å; G121-L123 VanDerWaalsContact C-N 3.3Å; G121-L123 PolarHBondContact O-N 3.21Å |
| 124 | G | 89.3 | Confident | 74.1 | Confident | 0 Ų | 0 | 88.6 Ų | 88.6 | 0% | 0 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 133.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | S106 T107 T146 L148 | S106-G124 CarbonylContact C-O 3.59Å; S106-G124 WeakPolarHBondContact CA-O 3.49Å; T107-G124 PolarHBondContact N-O 3.3Å; T107-G124 PolarHBondContact O-N 3.27Å; T107-G124 PolarHBondContact OG1-O 2.92Å; G124-T146 VanDerWaalsContact CA-OG1 3.3Å; G124-T146 WeakPolarHBondContact CA-OG1 3.47Å; G124-L148 VanDerWaalsContact CA-CD2 3.47Å |
| 125 | K | 95.6 | Very high | 75.7 | Confident | 102 Ų | 102 | 94 Ų | 94 | 44% | 0.443 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 135.9 | 178.7 | -168.1 | 169.3 | -175.5 | 166.7 | 0 | 110.5 | Q87 V104 C145 T146 | Q87-K125 VanDerWaalsContact OE1-CE 3.25Å; V104-K125 HydrophobicContact CG1-CD 4.27Å; V104-K125 HydrophobicContact CG1-CG 4.15Å; K125-C145 CarbonylContact O-C 3.59Å; K125-C145 WeakPolarHBondContact O-CA 3.1Å; K125-T146 HydrophobicContact CB-CG2 4.16Å; K125-T146 PolarHBondContact N-OG1 3.32Å; K125-T146 PolarHBondContact O-N 3.42Å; K125-T146 PolarHBondContact O-OG1 2.84Å |
| 126 | C | 97.8 | Very high | 77.9 | Confident | 1 Ų | 1 | 95.7 Ų | 95.7 | 1% | 0.007 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 144.6 | 172.9 | -64.7 | 0 | 0 | 0 | 0 | 109.9 | V104 F105 T107 T144 C145 | V104-C126 WeakPolarHBondContact CA-O 3.06Å; F105-C126 HydrophobicContact CD1-CB 4.09Å; F105-C126 HydrophobicContact CD2-CB 3.89Å; F105-C126 HydrophobicContact CE1-CB 3.7Å; F105-C126 HydrophobicContact CE2-CB 3.49Å; F105-C126 VanDerWaalsContact CE2-CB 3.49Å; F105-C126 HydrophobicContact CG-CB 4.19Å; F105-C126 HydrophobicContact CZ-CB 3.39Å; F105-C126 PolarHBondContact N-O 3.43Å; F105-C126 PolarHBondContact O-N 3.44Å; T107-C126 VanDerWaalsContact CG2-SG 3.6Å; C126-T144 CarbonylContact C-O 3.56Å; C126-T144 VanDerWaalsContact CA-O 3.27Å; C126-T144 WeakPolarHBondContact CA-O 3.25Å; C126-C145 HydrophobicContact CB-CB 4.12Å; C126-C145 WeakPolarHBondContact CB-SG 3.38Å; C126-C145 WeakPolarHBondContact SG-CB 3.34Å; C126-C145 CovalentContact SG-SG 2.04Å; C126-C145 PolarHBondContact SG-SG 3.49Å |
| 127 | S | 98.2 | Very high | 80.4 | Confident | 69 Ų | 69 | 90.6 Ų | 90.6 | 48% | 0.483 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 130.2 | 167.8 | 177 | 0 | 0 | 0 | 0 | 107.9 | V103 V143 T144 | V103-S127 WeakPolarHBondContact O-CA 3.17Å; S127-V143 WeakPolarHBondContact O-CA 3.4Å; S127-T144 PolarHBondContact N-O 2.86Å; S127-T144 PolarHBondContact O-N 3.14Å |
| 128 | A | 98.6 | Very high | 82.8 | Confident | 5 Ų | 5 | 89 Ų | 89 | 4% | 0.041 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 147.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A66 D102 V103 F105 V130 N142 V143 | A66-A128 HydrophobicContact CB-CB 3.52Å; D102-A128 CarbonylContact C-O 3.57Å; D102-A128 WeakPolarHBondContact CA-O 3.42Å; V103-A128 HydrophobicContact CG1-CB 4.09Å; V103-A128 PolarHBondContact N-O 3.01Å; V103-A128 PolarHBondContact O-N 3.23Å; F105-A128 HydrophobicContact CE1-CB 3.97Å; A128-V130 HydrophobicContact CB-CG2 4.38Å; A128-N142 CarbonylContact C-O 3.49Å; A128-N142 WeakPolarHBondContact CA-O 2.94Å; A128-V143 HydrophobicContact CB-CB 3.97Å; A128-V143 HydrophobicContact CB-CG2 3.95Å |
| 129 | R | 98.6 | Very high | 85.2 | Confident | 126 Ų | 126 | 79.8 Ų | 79.8 | 48% | 0.475 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.8 | 162.1 | 176 | 169.3 | -67.4 | 165.6 | 3.2 | 108.4 | K100 V101 D102 I141 N142 | K100-R129 HydrophobicContact CG-CG 4.44Å; V101-R129 CarbonylContact O-C 3.53Å; V101-R129 WeakPolarHBondContact O-CA 3.31Å; D102-R129 WeakPolarHBondContact OD1-CB 3.45Å; D102-R129 VanDerWaalsContact OD1-CG 3.28Å; D102-R129 WeakPolarHBondContact OD1-CG 3.24Å; D102-R129 IonicContact OD1-CZ 2.9Å; D102-R129 IonicContact OD1-NE 2.54Å; D102-R129 PolarHBondContact OD1-NE 3.22Å; D102-R129 IonicContact OD1-NH2 3.58Å; D102-R129 IonicContact OD2-CZ 3.74Å; D102-R129 IonicContact OD2-NE 3.41Å; D102-R129 IonicContact OD2-NH2 3.03Å; D102-R129 PolarHBondContact OD2-NH2 3.11Å; R129-I141 WeakPolarHBondContact O-CA 3.43Å; R129-N142 PolarHBondContact N-O 3.11Å; R129-N142 PolarHBondContact O-N 3.37Å |
| 130 | V | 98.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 126.7 | -179.3 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | A62 A65 A66 K100 V101 A128 F132 P139 A140 I141 | A62-V130 HydrophobicContact CB-CB 4.08Å; A62-V130 HydrophobicContact CB-CG1 4.48Å; A62-V130 HydrophobicContact CB-CG2 4.04Å; A65-V130 HydrophobicContact CB-CG1 4.46Å; A66-V130 HydrophobicContact CB-CG2 4.08Å; K100-V130 CarbonylContact C-O 3.58Å; K100-V130 WeakPolarHBondContact CA-O 3.09Å; V101-V130 PolarHBondContact N-O 3.11Å; V101-V130 PolarHBondContact O-N 2.78Å; A128-V130 HydrophobicContact CB-CG2 4.38Å; V130-F132 HydrophobicContact CB-CE2 4.19Å; V130-F132 HydrophobicContact CG1-CD2 3.94Å; V130-F132 HydrophobicContact CG1-CE1 4.17Å; V130-F132 HydrophobicContact CG1-CE2 3.44Å; V130-F132 VanDerWaalsContact CG1-CE2 3.44Å; V130-F132 HydrophobicContact CG1-CG 4.49Å; V130-F132 HydrophobicContact CG1-CZ 3.58Å; V130-P139 HydrophobicContact CG1-CB 3.82Å; V130-P139 HydrophobicContact CG1-CG 4.31Å; V130-A140 WeakPolarHBondContact CA-O 3.27Å; V130-I141 HydrophobicContact CG1-CD1 4.47Å; V130-I141 HydrophobicContact CG1-CG1 4.17Å; V130-I141 HydrophobicContact CG2-CG1 4.33Å |
| 131 | V | 97.3 | Very high | 90.6 | Very high | 56 Ų | 56 | 71 Ų | 71 | 34% | 0.339 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 111.3 | 176.2 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | K100 P139 A140 | K100-V131 HydrophobicContact CG-CG2 4.23Å; V131-P139 VanDerWaalsContact O-CA 3.3Å; V131-P139 WeakPolarHBondContact O-CA 3.42Å; V131-P139 WeakPolarHBondContact O-CB 3.33Å; V131-A140 HydrophobicContact CB-CB 4.3Å; V131-A140 PolarHBondContact N-O 2.95Å; V131-A140 PolarHBondContact O-N 3.47Å |
| 132 | F | 95.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 73.3 Ų | 73.3 | 1% | 0.013 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 130.5 | 171.4 | -59.9 | -88.3 | 0 | 0 | 0 | 109.6 | L58 Q61 A62 A65 G98 C99 V101 V130 P139 T207 T208 Q209 | L58-F132 HydrophobicContact CD1-CD2 4.48Å; L58-F132 HydrophobicContact CD1-CE2 4.26Å; Q61-F132 HydrophobicContact CG-CE1 4.4Å; Q61-F132 HydrophobicContact CG-CZ 4.11Å; A62-F132 HydrophobicContact CB-CE2 4.06Å; A62-F132 HydrophobicContact CB-CZ 4.38Å; A65-F132 HydrophobicContact CB-CZ 4.43Å; G98-F132 CarbonylContact C-O 3.55Å; G98-F132 WeakPolarHBondContact CA-O 3.46Å; C99-F132 PolarHBondContact N-O 3.4Å; C99-F132 PolarHBondContact O-N 3.03Å; C99-F132 VanDerWaalsContact SG-CD2 3.58Å; V101-F132 HydrophobicContact CG2-CD2 4.38Å; V101-F132 HydrophobicContact CG2-CE2 4.25Å; V130-F132 HydrophobicContact CB-CE2 4.19Å; V130-F132 HydrophobicContact CG1-CD2 3.94Å; V130-F132 HydrophobicContact CG1-CE1 4.17Å; V130-F132 HydrophobicContact CG1-CE2 3.44Å; V130-F132 VanDerWaalsContact CG1-CE2 3.44Å; V130-F132 HydrophobicContact CG1-CG 4.49Å; V130-F132 HydrophobicContact CG1-CZ 3.58Å; F132-P139 HydrophobicContact CD1-CB 3.76Å; F132-P139 HydrophobicContact CD1-CG 4.18Å; F132-P139 HydrophobicContact CE1-CB 3.98Å; F132-P139 HydrophobicContact CE1-CG 3.99Å; F132-P139 HydrophobicContact CG-CB 4.29Å; F132-T207 HydrophobicContact CE1-CG2 3.99Å; F132-T208 VanDerWaalsContact CE1-O 3.3Å; F132-T208 WeakPolarHBondContact CE1-O 3.44Å; F132-Q209 HydrophobicContact CB-CG 3.28Å; F132-Q209 HydrophobicContact CD1-CG 3.99Å; F132-Q209 HydrophobicContact CD2-CG 4.37Å; F132-Q209 HydrophobicContact CG-CG 3.66Å |
| 133 | K | 93.8 | Very high | 94.3 | Very high | 130 Ų | 130 | 65.9 Ų | 65.9 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 145.4 | 169 | -67.9 | -179 | -179.6 | -178.2 | 0 | 108.9 | Q135 K136 | K133-Q135 PolarHBondContact O-N 2.9Å; K133-K136 HydrophobicContact CB-CB 3.98Å; K133-K136 HydrophobicContact CB-CD 4.43Å; K133-K136 PolarHBondContact O-N 3.17Å |
| 134 | N | 88.6 | Confident | 95.2 | Very high | 48 Ų | 48 | 66.2 Ų | 66.2 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 131.8 | 178.5 | -77.8 | -20.8 | 0 | 0 | 0 | 111.8 | P95 K96 G98 K136 Q209 | P95-N134 PolarHBondContact O-ND2 3.43Å; K96-N134 PolarHBondContact O-ND2 3.41Å; K96-N134 VanDerWaalsContact O-ND2 3.09Å; G98-N134 VanDerWaalsContact CA-OD1 3.23Å; G98-N134 WeakPolarHBondContact CA-OD1 3.46Å; G98-N134 PolarHBondContact N-ND2 3.47Å; N134-K136 WeakPolarHBondContact O-CG 3.5Å; N134-K136 PolarHBondContact O-N 2.54Å; N134-Q209 PolarHBondContact OD1-NE2 3.37Å |
| 135 | Q | 81.3 | Confident | 95.5 | Very high | 196 Ų | 196 | 67.2 Ų | 67.2 | 92% | 0.916 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 21.1 | 175.8 | -55.2 | 174.7 | 18.4 | 0 | 0 | 114.1 | K133 | K133-Q135 PolarHBondContact O-N 2.9Š|
| 136 | K | 90.4 | Very high | 95.4 | Very high | 132 Ų | 132 | 65.8 Ų | 65.8 | 57% | 0.574 | 34% | 0.343 | S | S | * | . | trans | -121.4 | 128.9 | -179.9 | -73.5 | -175.1 | -179.2 | -173.4 | 0 | 109.3 | K133 N134 | K133-K136 HydrophobicContact CB-CB 3.98Å; K133-K136 HydrophobicContact CB-CD 4.43Å; K133-K136 PolarHBondContact O-N 3.17Å; N134-K136 WeakPolarHBondContact O-CG 3.5Å; N134-K136 PolarHBondContact O-N 2.54Å | ||
| 137 | P | 93.4 | Very high | 94.8 | Very high | 75 Ų | 75 | 75.2 Ų | 75.2 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -74 | -178.2 | 174.5 | 37.4 | -38.7 | 0 | 0 | 0 | 109.5 | E205 T207 T208 | P137-E205 WeakPolarHBondContact CB-O 3.49Å; P137-T207 CarbonylContact C-O 3.53Å; P137-T207 VanDerWaalsContact CA-O 3.29Å; P137-T207 WeakPolarHBondContact CA-O 3.11Å; P137-T208 HydrophobicContact CB-CG2 4.13Å |
| 138 | R | 95.8 | Very high | 94.1 | Very high | 129 Ų | 129 | 73.3 Ų | 73.3 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 61 | 70 | 177.1 | -165.4 | -178.2 | 177.9 | 160.5 | -7.7 | 113.2 | W204 E205 T207 | R138-W204 HydrophobicContact CG-CH2 4.26Å; R138-W204 HydrophobicContact CG-CZ2 3.9Å; R138-E205 WeakPolarHBondContact CA-O 3.14Å; R138-E205 HydrophobicContact CB-CG 4.26Å; R138-E205 WeakPolarHBondContact CB-O 3.4Å; R138-E205 HydrophobicContact CG-CG 4.25Å; R138-E205 IonicContact CZ-OE1 2.77Å; R138-E205 PolarHBondContact N-O 2.93Å; R138-E205 IonicContact NH1-OE1 3.68Å; R138-E205 PolarHBondContact NH1-OE1 3.34Å; R138-T207 PolarHBondContact N-O 3.21Å; R138-T207 VanDerWaalsContact N-O 3.11Å |
| 139 | P | 97.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 73.8 Ų | 73.8 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | trans | -60.7 | 149.1 | 176.1 | 27.2 | -36.6 | 0 | 0 | 0 | 111.4 | A65 V130 V131 F132 I141 W204 T207 | A65-P139 HydrophobicContact CB-CG 4.12Å; V130-P139 HydrophobicContact CG1-CB 3.82Å; V130-P139 HydrophobicContact CG1-CG 4.31Å; V131-P139 VanDerWaalsContact O-CA 3.3Å; V131-P139 WeakPolarHBondContact O-CA 3.42Å; V131-P139 WeakPolarHBondContact O-CB 3.33Å; F132-P139 HydrophobicContact CD1-CB 3.76Å; F132-P139 HydrophobicContact CD1-CG 4.18Å; F132-P139 HydrophobicContact CE1-CB 3.98Å; F132-P139 HydrophobicContact CE1-CG 3.99Å; F132-P139 HydrophobicContact CG-CB 4.29Å; P139-I141 HydrophobicContact CB-CG1 4.46Å; P139-I141 HydrophobicContact CG-CD1 4.11Å; P139-I141 HydrophobicContact CG-CG1 4.37Å; P139-W204 PolarHBondContact O-NE1 3.32Å; P139-T207 WeakPolarHBondContact CD-O 3.45Å; P139-T207 HydrophobicContact CG-CG2 4.26Å | ||
| 140 | A | 97.8 | Very high | 92.9 | Very high | 62 Ų | 62 | 74.7 Ų | 74.7 | 51% | 0.512 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 130.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | V130 V131 | V130-A140 WeakPolarHBondContact CA-O 3.27Å; V131-A140 HydrophobicContact CB-CB 4.3Å; V131-A140 PolarHBondContact N-O 2.95Å; V131-A140 PolarHBondContact O-N 3.47Å |
| 141 | I | 98.4 | Very high | 92.5 | Very high | 22 Ų | 22 | 80.2 Ų | 80.2 | 11% | 0.113 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 130 | -169.8 | -59.5 | -173.4 | 0 | 0 | 0 | 111 | A65 A66 F69 R129 V130 P139 V143 | A65-I141 VanDerWaalsContact C-CD1 3.41Å; A65-I141 HydrophobicContact CB-CD1 3.92Å; A65-I141 VanDerWaalsContact O-CD1 3.23Å; A65-I141 WeakPolarHBondContact O-CD1 3.01Å; A66-I141 HydrophobicContact CB-CG2 4.17Å; F69-I141 HydrophobicContact CB-CB 4.39Å; F69-I141 HydrophobicContact CB-CD1 3.8Å; F69-I141 HydrophobicContact CB-CG2 4.24Å; F69-I141 HydrophobicContact CD1-CB 3.72Å; F69-I141 HydrophobicContact CD1-CG2 3.45Å; F69-I141 VanDerWaalsContact CD1-CG2 3.45Å; F69-I141 HydrophobicContact CE1-CB 4.01Å; F69-I141 HydrophobicContact CE1-CG2 3.99Å; F69-I141 WeakPolarHBondContact CE1-O 3.49Å; F69-I141 HydrophobicContact CG-CB 4.04Å; F69-I141 HydrophobicContact CG-CD1 4.33Å; F69-I141 HydrophobicContact CG-CG2 4.08Å; R129-I141 WeakPolarHBondContact O-CA 3.43Å; V130-I141 HydrophobicContact CG1-CD1 4.47Å; V130-I141 HydrophobicContact CG1-CG1 4.17Å; V130-I141 HydrophobicContact CG2-CG1 4.33Å; P139-I141 HydrophobicContact CB-CG1 4.46Å; P139-I141 HydrophobicContact CG-CD1 4.11Å; P139-I141 HydrophobicContact CG-CG1 4.37Å; I141-V143 HydrophobicContact CG2-CB 4.11Å; I141-V143 HydrophobicContact CG2-CG1 4.11Å |
| 142 | N | 98.4 | Very high | 92.3 | Very high | 110 Ų | 110 | 85.5 Ų | 85.5 | 59% | 0.588 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122.1 | 160.2 | -173 | -7.1 | 0 | 0 | 0 | 107.9 | A128 R129 | A128-N142 CarbonylContact C-O 3.49Å; A128-N142 WeakPolarHBondContact CA-O 2.94Å; R129-N142 PolarHBondContact N-O 3.11Å; R129-N142 PolarHBondContact O-N 3.37Å |
| 143 | V | 98.1 | Very high | 92 | Very high | 19 Ų | 19 | 89.3 Ų | 89.3 | 12% | 0.115 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 135.4 | -175.7 | 59.5 | 0 | 0 | 0 | 0 | 110.3 | A66 F69 F70 F105 S127 A128 I141 | A66-V143 HydrophobicContact CB-CB 4.45Å; A66-V143 HydrophobicContact CB-CG2 4.33Å; F69-V143 HydrophobicContact CD1-CG1 3.83Å; F69-V143 HydrophobicContact CE1-CG1 4.3Å; F70-V143 HydrophobicContact CB-CG1 4.09Å; F105-V143 HydrophobicContact CZ-CG2 4.48Å; S127-V143 WeakPolarHBondContact O-CA 3.4Å; A128-V143 HydrophobicContact CB-CB 3.97Å; A128-V143 HydrophobicContact CB-CG2 3.95Å; I141-V143 HydrophobicContact CG2-CB 4.11Å; I141-V143 HydrophobicContact CG2-CG1 4.11Å |
| 144 | T | 97.2 | Very high | 91.9 | Very high | 101 Ų | 101 | 86.4 Ų | 86.4 | 62% | 0.62 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.3 | 172.2 | -60.3 | 0 | 0 | 0 | 0 | 108.7 | C126 S127 | C126-T144 CarbonylContact C-O 3.56Å; C126-T144 VanDerWaalsContact CA-O 3.27Å; C126-T144 WeakPolarHBondContact CA-O 3.25Å; S127-T144 PolarHBondContact N-O 2.86Å; S127-T144 PolarHBondContact O-N 3.14Å |
| 145 | C | 95.3 | Very high | 92.1 | Very high | 22 Ų | 22 | 88.5 Ų | 88.5 | 15% | 0.149 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144.3 | 178.7 | -65.9 | 0 | 0 | 0 | 0 | 110.8 | F70 K125 C126 | F70-C145 HydrophobicContact CD2-CB 4.15Å; F70-C145 HydrophobicContact CE2-CB 3.72Å; F70-C145 HydrophobicContact CZ-CB 4.07Å; K125-C145 CarbonylContact O-C 3.59Å; K125-C145 WeakPolarHBondContact O-CA 3.1Å; C126-C145 HydrophobicContact CB-CB 4.12Å; C126-C145 WeakPolarHBondContact CB-SG 3.38Å; C126-C145 WeakPolarHBondContact SG-CB 3.34Å; C126-C145 CovalentContact SG-SG 2.04Å; C126-C145 PolarHBondContact SG-SG 3.49Å |
| 146 | T | 93.1 | Very high | 92.7 | Very high | 71 Ų | 71 | 84.2 Ų | 84.2 | 44% | 0.436 | 41% | 0.407 | S | S | . | . | trans | -60.2 | 148.1 | 168.2 | 62.4 | 0 | 0 | 0 | 0 | 109.8 | R81 G124 K125 L148 | R81-T146 VanDerWaalsContact CZ-O 3.22Å; R81-T146 PolarHBondContact NH1-O 3.06Å; R81-T146 PolarHBondContact NH2-O 3.14Å; G124-T146 VanDerWaalsContact CA-OG1 3.3Å; G124-T146 WeakPolarHBondContact CA-OG1 3.47Å; K125-T146 HydrophobicContact CB-CG2 4.16Å; K125-T146 PolarHBondContact N-OG1 3.32Å; K125-T146 PolarHBondContact O-N 3.42Å; K125-T146 PolarHBondContact O-OG1 2.84Å; T146-L148 PolarHBondContact O-N 2.79Å | ||
| 147 | R | 84.9 | Confident | 92.8 | Very high | 199 Ų | 199 | 80.3 Ų | 80.3 | 75% | 0.751 | 39% | 0.391 | S | S | * | . | trans | -79.1 | 121.4 | 177.6 | -67.4 | -177.7 | -174.3 | 168.2 | 4.7 | 109.5 | ||||
| 148 | L | 84.8 | Confident | 92.9 | Very high | 29 Ų | 29 | 77 Ų | 77 | 15% | 0.152 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -85.9 | -21 | 172.2 | -70.7 | -177.5 | 0 | 0 | 0 | 113 | R81 R109 G124 T146 | R81-L148 HydrophobicContact CG-CD1 4.24Å; R109-L148 HydrophobicContact CG-CB 4.33Å; R109-L148 HydrophobicContact CG-CD1 3.96Å; R109-L148 PolarHBondContact NH2-O 3.24Å; G124-L148 VanDerWaalsContact CA-CD2 3.47Å; T146-L148 PolarHBondContact O-N 2.79Å |
| 149 | I | 84.3 | Confident | 92.9 | Very high | 15 Ų | 15 | 75.5 Ų | 75.5 | 8% | 0.077 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -131.4 | 137.1 | 179.9 | -34.5 | -157.1 | 0 | 0 | 0 | 108.3 | S78 R109 K153 R154 | S78-I149 WeakPolarHBondContact O-CD1 3.46Å; R109-I149 VanDerWaalsContact CZ-CD1 3.41Å; R109-I149 VanDerWaalsContact NH1-CD1 3.3Å; R109-I149 VanDerWaalsContact NH2-CG1 3.34Å; I149-K153 HydrophobicContact CG2-CB 4.03Å; I149-K153 HydrophobicContact CG2-CD 4.21Å; I149-K153 HydrophobicContact CG2-CG 4.01Å; I149-R154 HydrophobicContact CB-CB 4.43Å; I149-R154 HydrophobicContact CG2-CB 4.18Å |
| 150 | E | 88 | Confident | 92.7 | Very high | 146 Ų | 146 | 79.5 Ų | 79.5 | 68% | 0.682 | 39% | 0.385 | S | S | * | . | trans | -58.7 | 142.9 | 169.2 | -67.1 | -176.6 | -177 | 0 | 0 | 111.3 | K152 K153 R154 | E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 3.32Å; E150-K153 HydrophobicContact CB-CB 4.3Å; E150-K153 PolarHBondContact O-N 2.92Å; E150-R154 WeakPolarHBondContact O-CB 3.08Å; E150-R154 PolarHBondContact O-N 3.02Å | ||
| 151 | K | 89.9 | Confident | 92.4 | Very high | 115 Ų | 115 | 77.5 Ų | 77.5 | 50% | 0.5 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -56 | -43.3 | -176.9 | -176.2 | -179.5 | 176.8 | -175.1 | 0 | 112 | Q155 | K151-Q155 VanDerWaalsContact O-CG 3.28Å; K151-Q155 WeakPolarHBondContact O-CG 3.45Å; K151-Q155 PolarHBondContact O-N 2.89Å |
| 152 | K | 91.1 | Very high | 92.1 | Very high | 168 Ų | 168 | 77.3 Ų | 77.3 | 73% | 0.73 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -66.7 | -46.1 | -178.8 | -172.1 | -179.5 | 180 | -176.2 | 0 | 111.6 | E150 Q155 Q156 | E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 3.32Å; K152-Q155 PolarHBondContact O-N 3.27Å; K152-Q156 PolarHBondContact O-N 2.98Å |
| 153 | K | 90.5 | Very high | 91.8 | Very high | 82 Ų | 82 | 76.2 Ų | 76.2 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 177 | -178.4 | 169.8 | 179.7 | 171 | 0 | 111.3 | I149 E150 Q155 Q156 E157 | I149-K153 HydrophobicContact CG2-CB 4.03Å; I149-K153 HydrophobicContact CG2-CD 4.21Å; I149-K153 HydrophobicContact CG2-CG 4.01Å; E150-K153 HydrophobicContact CB-CB 4.3Å; E150-K153 PolarHBondContact O-N 2.92Å; K153-Q155 PolarHBondContact O-N 3.44Å; K153-Q156 WeakPolarHBondContact O-CB 3.37Å; K153-Q156 PolarHBondContact O-N 3.41Å; K153-E157 WeakPolarHBondContact CE-OE1 3.43Å; K153-E157 HydrophobicContact CG-CG 4.46Å; K153-E157 WeakPolarHBondContact CG-OE1 3.1Å; K153-E157 WeakPolarHBondContact O-CG 3.13Å; K153-E157 PolarHBondContact O-N 3.02Å |
| 154 | R | 91.1 | Very high | 91.3 | Very high | 69 Ų | 69 | 79.1 Ų | 79.1 | 26% | 0.26 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -56.4 | -48.1 | 174.8 | -177.5 | -170.5 | 64.9 | -169.5 | 5.9 | 112.3 | S76 A79 I149 E150 Q156 E157 D158 | S76-R154 WeakPolarHBondContact OG-CD 3.47Å; S76-R154 VanDerWaalsContact OG-CG 3.3Å; S76-R154 WeakPolarHBondContact OG-CG 3.37Å; A79-R154 HydrophobicContact CB-CG 4.3Å; I149-R154 HydrophobicContact CB-CB 4.43Å; I149-R154 HydrophobicContact CG2-CB 4.18Å; E150-R154 WeakPolarHBondContact O-CB 3.08Å; E150-R154 PolarHBondContact O-N 3.02Å; R154-Q156 VanDerWaalsContact C-N 3.29Å; R154-Q156 PolarHBondContact O-N 2.81Å; R154-E157 PolarHBondContact O-N 2.89Å; R154-D158 WeakPolarHBondContact O-CB 3.23Å; R154-D158 VanDerWaalsContact O-CG 3.3Å; R154-D158 PolarHBondContact O-N 2.89Å |
| 155 | Q | 93.3 | Very high | 90.9 | Very high | 92 Ų | 92 | 74.3 Ų | 74.3 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.4 | -38.3 | 178.5 | -75.2 | 172.9 | -37.2 | 0 | 0 | 112.4 | K151 K152 K153 Y159 | K151-Q155 VanDerWaalsContact O-CG 3.28Å; K151-Q155 WeakPolarHBondContact O-CG 3.45Å; K151-Q155 PolarHBondContact O-N 2.89Å; K152-Q155 PolarHBondContact O-N 3.27Å; K153-Q155 PolarHBondContact O-N 3.44Å; Q155-Y159 WeakPolarHBondContact O-CB 3.3Å; Q155-Y159 PolarHBondContact O-N 3.37Å |
| 156 | Q | 94.4 | Very high | 90.4 | Very high | 106 Ų | 106 | 77.1 Ų | 77.1 | 50% | 0.495 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.6 | -47.9 | 176.3 | -177.3 | 62.4 | 31.2 | 0 | 0 | 111.6 | K152 K153 R154 Y159 L160 | K152-Q156 PolarHBondContact O-N 2.98Å; K153-Q156 WeakPolarHBondContact O-CB 3.37Å; K153-Q156 PolarHBondContact O-N 3.41Å; R154-Q156 VanDerWaalsContact C-N 3.29Å; R154-Q156 PolarHBondContact O-N 2.81Å; Q156-Y159 PolarHBondContact O-N 3.43Å; Q156-L160 HydrophobicContact CG-CD1 4.48Å; Q156-L160 WeakPolarHBondContact O-CG 3.23Å; Q156-L160 PolarHBondContact O-N 3.23Å |
| 157 | E | 92.8 | Very high | 90 | Very high | 51 Ų | 51 | 81.1 Ų | 81.1 | 24% | 0.238 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.1 | -45 | 179.1 | -68.5 | 172.7 | -178.4 | 0 | 0 | 111.5 | S78 K153 R154 Y159 L160 L161 | S78-E157 WeakPolarHBondContact CB-OE2 3.37Å; S78-E157 WeakPolarHBondContact OG-CB 3.32Å; S78-E157 PolarHBondContact OG-OE2 2.83Å; K153-E157 WeakPolarHBondContact CE-OE1 3.43Å; K153-E157 HydrophobicContact CG-CG 4.46Å; K153-E157 WeakPolarHBondContact CG-OE1 3.1Å; K153-E157 WeakPolarHBondContact O-CG 3.13Å; K153-E157 PolarHBondContact O-N 3.02Å; R154-E157 PolarHBondContact O-N 2.89Å; E157-Y159 VanDerWaalsContact C-N 3.3Å; E157-Y159 PolarHBondContact O-N 2.97Å; E157-L160 PolarHBondContact O-N 3Å; E157-L161 PolarHBondContact O-N 3.12Å |
| 158 | D | 94.7 | Very high | 89.6 | Confident | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 175.2 | -71.8 | -28.1 | 0 | 0 | 0 | 111.4 | S76 S78 R154 L161 Y162 W256 P258 | S76-D158 VanDerWaalsContact CB-OD2 3.3Å; S76-D158 WeakPolarHBondContact CB-OD2 3.38Å; S76-D158 PolarHBondContact OG-OD1 3.44Å; S76-D158 PolarHBondContact OG-OD2 3.28Å; S78-D158 WeakPolarHBondContact CB-OD1 3.36Å; S78-D158 PolarHBondContact N-OD1 3.5Å; S78-D158 PolarHBondContact OG-OD1 3.04Å; R154-D158 WeakPolarHBondContact O-CB 3.23Å; R154-D158 VanDerWaalsContact O-CG 3.3Å; R154-D158 PolarHBondContact O-N 2.89Å; D158-L161 PolarHBondContact O-N 2.9Å; D158-Y162 WeakPolarHBondContact O-CB 3.47Å; D158-Y162 PolarHBondContact O-N 3.32Å; D158-W256 HydrophobicContact CB-CZ2 4.21Å; D158-W256 WeakPolarHBondContact O-CH2 3.49Å; D158-P258 HydrophobicContact CB-CB 4.2Å |
| 159 | Y | 94.9 | Very high | 88.9 | Confident | 99 Ų | 99 | 80 Ų | 80 | 39% | 0.388 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.6 | -33.4 | 178.7 | -173.9 | -110.8 | 0 | 0 | 0 | 113.1 | Q155 Q156 E157 Y162 K163 | Q155-Y159 WeakPolarHBondContact O-CB 3.3Å; Q155-Y159 PolarHBondContact O-N 3.37Å; Q156-Y159 PolarHBondContact O-N 3.43Å; E157-Y159 VanDerWaalsContact C-N 3.3Å; E157-Y159 PolarHBondContact O-N 2.97Å; Y159-Y162 HydrophobicContact CD2-CD1 4.06Å; Y159-Y162 AromaticContact CE2-CD1 3.96Å; Y159-Y162 HydrophobicContact CE2-CD1 3.96Å; Y159-Y162 HydrophobicContact CE2-CE1 4.34Å; Y159-Y162 PolarHBondContact O-N 3.21Å; Y159-K163 HydrophobicContact CD1-CD 4.36Å; Y159-K163 HydrophobicContact CE1-CD 3.76Å; Y159-K163 HydrophobicContact CE1-CG 4.34Å; Y159-K163 PolarHBondContact O-N 2.81Å; Y159-K163 VanDerWaalsContact O-N 3.11Å |
| 160 | L | 93.3 | Very high | 87.9 | Confident | 88 Ų | 88 | 85.8 Ų | 85.8 | 46% | 0.461 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66 | -45.4 | 172.4 | -70.3 | 173.6 | 0 | 0 | 0 | 111 | Q156 E157 Y162 K163 Q164 | Q156-L160 HydrophobicContact CG-CD1 4.48Å; Q156-L160 WeakPolarHBondContact O-CG 3.23Å; Q156-L160 PolarHBondContact O-N 3.23Å; E157-L160 PolarHBondContact O-N 3Å; L160-Y162 VanDerWaalsContact C-N 3.32Å; L160-Y162 PolarHBondContact O-N 2.63Å; L160-K163 PolarHBondContact O-N 2.87Å; L160-Q164 PolarHBondContact O-N 3.09Å |
| 161 | L | 91.7 | Very high | 86.7 | Confident | 19 Ų | 19 | 79.7 Ų | 79.7 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.1 | -47.2 | 174 | -177 | 67.4 | 0 | 0 | 0 | 111 | P77 E157 D158 K163 Q164 M165 P190 W256 | P77-L161 HydrophobicContact CB-CD2 3.46Å; P77-L161 VanDerWaalsContact CB-CD2 3.46Å; P77-L161 HydrophobicContact CG-CD2 3.56Å; E157-L161 PolarHBondContact O-N 3.12Å; D158-L161 PolarHBondContact O-N 2.9Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 3.29Å; L161-Q164 WeakPolarHBondContact O-CB 3.35Å; L161-Q164 PolarHBondContact O-N 3.43Å; L161-Q164 VanDerWaalsContact O-N 3.14Å; L161-M165 HydrophobicContact CD1-CG 4.42Å; L161-M165 HydrophobicContact CG-CG 4.31Å; L161-M165 VanDerWaalsContact O-CG 3.27Å; L161-M165 WeakPolarHBondContact O-CG 3.35Å; L161-M165 PolarHBondContact O-N 3.12Å; L161-P190 HydrophobicContact CD1-CB 3.55Å; L161-P190 HydrophobicContact CD1-CG 3.93Å; L161-W256 HydrophobicContact CB-CH2 4.45Å; L161-W256 HydrophobicContact CD2-CH2 4.18Å; L161-W256 HydrophobicContact CG-CH2 4.39Å |
| 162 | Y | 93.1 | Very high | 85.6 | Confident | 19 Ų | 19 | 78.9 Ų | 78.9 | 8% | 0.075 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -54.1 | -48 | 175.8 | 167.5 | -104 | 0 | 0 | 0 | 112.9 | D158 Y159 L160 Q164 M165 K166 D229 I231 W256 Y257 P258 | D158-Y162 WeakPolarHBondContact O-CB 3.47Å; D158-Y162 PolarHBondContact O-N 3.32Å; Y159-Y162 HydrophobicContact CD2-CD1 4.06Å; Y159-Y162 AromaticContact CE2-CD1 3.96Å; Y159-Y162 HydrophobicContact CE2-CD1 3.96Å; Y159-Y162 HydrophobicContact CE2-CE1 4.34Å; Y159-Y162 PolarHBondContact O-N 3.21Å; L160-Y162 VanDerWaalsContact C-N 3.32Å; L160-Y162 PolarHBondContact O-N 2.63Å; Y162-Q164 VanDerWaalsContact C-N 3.33Å; Y162-Q164 PolarHBondContact O-N 2.81Å; Y162-M165 PolarHBondContact O-N 3.45Å; Y162-K166 HydrophobicContact CD2-CG 4.28Å; Y162-K166 HydrophobicContact CE1-CG 4.22Å; Y162-K166 HydrophobicContact CE2-CD 3.82Å; Y162-K166 HydrophobicContact CE2-CG 3.68Å; Y162-K166 WeakPolarHBondContact O-CG 3.5Å; Y162-K166 PolarHBondContact O-N 3.11Å; Y162-D229 WeakPolarHBondContact CE2-O 3.48Å; Y162-D229 VanDerWaalsContact CZ-O 3.27Å; Y162-D229 PolarHBondContact OH-O 3.16Å; Y162-I231 HydrophobicContact CD2-CD1 4.06Å; Y162-I231 HydrophobicContact CD2-CG1 3.79Å; Y162-I231 HydrophobicContact CE2-CD1 4.09Å; Y162-I231 HydrophobicContact CE2-CG1 4.08Å; Y162-W256 HydrophobicContact CD2-CZ3 4.31Å; Y162-Y257 HydrophobicContact CE1-CE2 4.38Å; Y162-Y257 HydrophobicContact CE2-CD2 4.1Å; Y162-Y257 HydrophobicContact CE2-CE2 4.21Å; Y162-P258 VanDerWaalsContact CB-CG 3.41Å; Y162-P258 HydrophobicContact CD1-CG 4.49Å; Y162-P258 HydrophobicContact CD2-CG 4.32Å; Y162-P258 HydrophobicContact CG-CG 3.83Å |
| 163 | K | 91.7 | Very high | 84.6 | Confident | 86 Ų | 86 | 76.4 Ų | 76.4 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 177.7 | -74.2 | -172.8 | -73.8 | -179.7 | 0 | 112.3 | Y159 L160 L161 K166 Q167 | Y159-K163 HydrophobicContact CD1-CD 4.36Å; Y159-K163 HydrophobicContact CE1-CD 3.76Å; Y159-K163 HydrophobicContact CE1-CG 4.34Å; Y159-K163 PolarHBondContact O-N 2.81Å; Y159-K163 VanDerWaalsContact O-N 3.11Å; L160-K163 PolarHBondContact O-N 2.87Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 3.29Å; K163-K166 PolarHBondContact O-N 2.92Å; K163-Q167 WeakPolarHBondContact O-CG 3.49Å; K163-Q167 PolarHBondContact O-N 3.37Å |
| 164 | Q | 88.4 | Confident | 83.9 | Confident | 80 Ų | 80 | 79.7 Ų | 79.7 | 37% | 0.374 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 174.2 | -176.8 | 178.4 | -2.9 | 0 | 0 | 111.1 | L160 L161 Y162 K166 Q167 L168 | L160-Q164 PolarHBondContact O-N 3.09Å; L161-Q164 WeakPolarHBondContact O-CB 3.35Å; L161-Q164 PolarHBondContact O-N 3.43Å; L161-Q164 VanDerWaalsContact O-N 3.14Å; Y162-Q164 VanDerWaalsContact C-N 3.33Å; Y162-Q164 PolarHBondContact O-N 2.81Å; Q164-K166 VanDerWaalsContact C-N 3.34Å; Q164-K166 PolarHBondContact O-N 3.32Å; Q164-Q167 PolarHBondContact O-N 3.27Å; Q164-L168 PolarHBondContact O-N 3.46Å |
| 165 | M | 87.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63 | -34.8 | 178.8 | -66.4 | -53.4 | -65.3 | 0 | 0 | 113.3 | L161 Y162 Q167 L168 P190 I191 L194 I231 F233 | L161-M165 HydrophobicContact CD1-CG 4.42Å; L161-M165 HydrophobicContact CG-CG 4.31Å; L161-M165 VanDerWaalsContact O-CG 3.27Å; L161-M165 WeakPolarHBondContact O-CG 3.35Å; L161-M165 PolarHBondContact O-N 3.12Å; Y162-M165 PolarHBondContact O-N 3.45Å; M165-Q167 PolarHBondContact O-N 2.86Å; M165-L168 HydrophobicContact CE-CD1 3.92Å; M165-L168 PolarHBondContact O-N 2.91Å; M165-L168 HydrophobicContact SD-CD1 3.46Å; M165-L168 WeakPolarHBondContact SD-CD1 3.33Å; M165-P190 HydrophobicContact SD-CB 3.33Å; M165-P190 WeakPolarHBondContact SD-CB 3.47Å; M165-I191 HydrophobicContact CE-CG1 3.91Å; M165-L194 HydrophobicContact CE-CD1 3.91Å; M165-L194 HydrophobicContact CG-CD1 4.13Å; M165-L194 HydrophobicContact SD-CD1 4.37Å; M165-I231 HydrophobicContact CB-CD1 3.61Å; M165-I231 HydrophobicContact CB-CG1 4.11Å; M165-F233 HydrophobicContact CE-CE2 3.3Å; M165-F233 HydrophobicContact CE-CZ 3.36Å |
| 166 | K | 86 | Confident | 83.4 | Confident | 81 Ų | 81 | 75.4 Ų | 75.4 | 35% | 0.352 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.1 | -20.2 | 174.5 | -67.7 | -64.1 | -72.5 | -167.9 | 0 | 113.4 | Y162 K163 Q164 D228 T230 I231 | Y162-K166 HydrophobicContact CD2-CG 4.28Å; Y162-K166 HydrophobicContact CE1-CG 4.22Å; Y162-K166 HydrophobicContact CE2-CD 3.82Å; Y162-K166 HydrophobicContact CE2-CG 3.68Å; Y162-K166 WeakPolarHBondContact O-CG 3.5Å; Y162-K166 PolarHBondContact O-N 3.11Å; K163-K166 PolarHBondContact O-N 2.92Å; Q164-K166 VanDerWaalsContact C-N 3.34Å; Q164-K166 PolarHBondContact O-N 3.32Å; K166-D228 PolarHBondContact NZ-O 2.95Å; K166-T230 PolarHBondContact NZ-O 2.73Å; K166-I231 HydrophobicContact CD-CD1 3.52Å; K166-I231 HydrophobicContact CG-CD1 3.94Å |
| 167 | Q | 84 | Confident | 83.3 | Confident | 156 Ų | 156 | 70.5 Ų | 70.5 | 73% | 0.729 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -93 | -11 | -180 | -68.5 | 176.9 | -4.9 | 0 | 0 | 113.3 | K163 Q164 M165 K169 | K163-Q167 WeakPolarHBondContact O-CG 3.49Å; K163-Q167 PolarHBondContact O-N 3.37Å; Q164-Q167 PolarHBondContact O-N 3.27Å; M165-Q167 PolarHBondContact O-N 2.86Å; Q167-K169 PolarHBondContact O-N 2.74Å |
| 168 | L | 77.1 | Confident | 83.4 | Confident | 15 Ų | 15 | 69.1 Ų | 69.1 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | trans | -61.1 | 121.1 | 174.6 | -93.9 | 125.7 | 0 | 0 | 0 | 109.7 | Q164 M165 Y187 I191 | Q164-L168 PolarHBondContact O-N 3.46Å; M165-L168 HydrophobicContact CE-CD1 3.92Å; M165-L168 PolarHBondContact O-N 2.91Å; M165-L168 HydrophobicContact SD-CD1 3.46Å; M165-L168 WeakPolarHBondContact SD-CD1 3.33Å; L168-Y187 HydrophobicContact CD2-CE1 3.71Å; L168-Y187 WeakPolarHBondContact CD2-OH 3.43Å; L168-I191 HydrophobicContact CD2-CD1 3.97Å | ||
| 169 | K | 68.6 | Low | 83.3 | Confident | 188 Ų | 188 | 71.7 Ų | 71.7 | 82% | 0.817 | 35% | 0.351 | S | S | * | . | trans | -78 | 133.3 | 172.3 | -66.3 | -179.7 | 179.3 | 179.1 | 0 | 107.6 | Q167 | Q167-K169 PolarHBondContact O-N 2.74Š| ||
| 170 | N | 64.5 | Low | 83.1 | Confident | 138 Ų | 138 | 74 Ų | 74 | 74% | 0.738 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 11.8 | 101.3 | 177.9 | -68.8 | -12.7 | 0 | 0 | 0 | 114.3 | L172 | N170-L172 PolarHBondContact O-N 3.09Š|
| 171 | P | 63.7 | Low | 83.1 | Confident | 17 Ų | 17 | 78.1 Ų | 78.1 | 11% | 0.11 | 39% | 0.387 | C | S | . | . | trans | -58 | 144 | 179.1 | -7.8 | 17 | 0 | 0 | 0 | 110.6 | E173 V221 Q223 F233 | P171-E173 PolarHBondContact O-N 3.09Å; P171-V221 HydrophobicContact CB-CG1 3.86Å; P171-V221 HydrophobicContact CB-CG2 4.04Å; P171-Q223 HydrophobicContact CG-CB 3.28Å; P171-Q223 HydrophobicContact CG-CG 4.46Å; P171-F233 HydrophobicContact CB-CE1 4.27Å; P171-F233 HydrophobicContact CG-CD1 4.44Å; P171-F233 HydrophobicContact CG-CE1 3.59Å; P171-F233 HydrophobicContact CG-CZ 4.43Å | ||
| 172 | L | 65.5 | Low | 83 | Confident | 99 Ų | 99 | 79.8 Ų | 79.8 | 52% | 0.518 | 41% | 0.409 | S | S | . | . | trans | -55.2 | 118.1 | 177.8 | -62.9 | 167.6 | 0 | 0 | 0 | 110.1 | N170 I174 V175 L188 V221 | N170-L172 PolarHBondContact O-N 3.09Å; L172-I174 PolarHBondContact O-N 2.66Å; L172-V175 HydrophobicContact CB-CG1 3.28Å; L172-V175 HydrophobicContact CD1-CG1 3.69Å; L172-V175 HydrophobicContact CG-CG1 4.12Å; L172-L188 HydrophobicContact CD1-CD2 4.25Å; L172-V221 VanDerWaalsContact O-CG1 3.27Å; L172-V221 WeakPolarHBondContact O-CG1 3.3Å | ||
| 173 | E | 71.1 | Confident | 82.9 | Confident | 115 Ų | 115 | 84.3 Ų | 84.3 | 54% | 0.537 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -63.4 | -27.8 | -177.9 | -69.6 | -166.7 | 140 | 0 | 0 | 112.9 | P171 S220 R222 | P171-E173 PolarHBondContact O-N 3.09Å; E173-S220 WeakPolarHBondContact O-CA 3.41Å; E173-S220 VanDerWaalsContact O-CB 3.3Å; E173-S220 WeakPolarHBondContact O-CB 3.37Å; E173-S220 PolarHBondContact O-OG 3.49Å; E173-R222 IonicContact OE1-CZ 3.58Å; E173-R222 IonicContact OE1-NE 3.72Å; E173-R222 IonicContact OE1-NH2 2.71Å; E173-R222 PolarHBondContact OE1-NH2 3.34Å |
| 174 | I | 74.4 | Confident | 82.8 | Confident | 152 Ų | 152 | 81.5 Ų | 81.5 | 78% | 0.779 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -129 | 125.9 | 176.1 | -58.7 | 174.8 | 0 | 0 | 0 | 107.7 | L172 | L172-I174 PolarHBondContact O-N 2.66Š|
| 175 | V | 82.6 | Confident | 82.8 | Confident | 19 Ų | 19 | 81.5 Ų | 81.5 | 12% | 0.115 | 42% | 0.422 | C | S | . | . | trans | -141.4 | 163.2 | 179.6 | -68.4 | 0 | 0 | 0 | 0 | 109.9 | L172 I177 L218 T219 V221 | L172-V175 HydrophobicContact CB-CG1 3.28Å; L172-V175 HydrophobicContact CD1-CG1 3.69Å; L172-V175 HydrophobicContact CG-CG1 4.12Å; V175-I177 HydrophobicContact CB-CD1 4.02Å; V175-I177 HydrophobicContact CB-CG1 4.13Å; V175-I177 HydrophobicContact CG1-CD1 4.39Å; V175-I177 HydrophobicContact CG2-CD1 3.92Å; V175-I177 HydrophobicContact CG2-CG1 4.29Å; V175-L218 HydrophobicContact CG2-CD2 4.47Å; V175-L218 HydrophobicContact CG2-CG 4.14Å; V175-T219 PolarHBondContact N-O 3.5Å; V175-T219 CarbonylContact O-C 3.59Å; V175-T219 WeakPolarHBondContact O-CA 3.23Å; V175-V221 HydrophobicContact CG1-CG1 4.4Å; V175-V221 HydrophobicContact CG2-CG1 4.15Å | ||
| 176 | S | 91.8 | Very high | 82.9 | Confident | 51 Ų | 51 | 86.4 Ų | 86.4 | 36% | 0.357 | 45% | 0.453 | S | S | . | . | trans | -129.5 | 99.4 | 165.2 | 177 | 0 | 0 | 0 | 0 | 106.5 | P178 D179 Q217 | S176-P178 CarbonylContact C-O 3.52Å; S176-P178 CarbonylContact O-C 3.21Å; S176-P178 VanDerWaalsContact O-C 3.26Å; S176-P178 PolarHBondContact OG-O 3.45Å; S176-P178 VanDerWaalsContact OG-O 3.13Å; S176-D179 PolarHBondContact O-N 3.25Å; S176-Q217 PolarHBondContact OG-NE2 3.37Å | ||
| 177 | I | 92.8 | Very high | 82.9 | Confident | 3 Ų | 3 | 88.2 Ų | 88.2 | 2% | 0.015 | 46% | 0.459 | C | S | . | . | B | Isolated β-bridge | trans | -124.5 | 120.5 | 179.7 | -55.2 | 160.6 | 0 | 0 | 0 | 108.4 | V175 I184 L188 W192 Q217 L218 | V175-I177 HydrophobicContact CB-CD1 4.02Å; V175-I177 HydrophobicContact CB-CG1 4.13Å; V175-I177 HydrophobicContact CG1-CD1 4.39Å; V175-I177 HydrophobicContact CG2-CD1 3.92Å; V175-I177 HydrophobicContact CG2-CG1 4.29Å; I177-I184 HydrophobicContact CG2-CB 4.33Å; I177-I184 HydrophobicContact CG2-CD1 4.19Å; I177-I184 HydrophobicContact CG2-CG1 3.9Å; I177-I184 HydrophobicContact CG2-CG2 3.74Å; I177-L188 HydrophobicContact CD1-CB 3.92Å; I177-L188 HydrophobicContact CD1-CD1 3.94Å; I177-L188 HydrophobicContact CD1-CG 4.34Å; I177-L188 HydrophobicContact CG1-CB 4.48Å; I177-L188 HydrophobicContact CG1-CD1 4.06Å; I177-W192 HydrophobicContact CB-CE3 4.25Å; I177-W192 HydrophobicContact CG2-CB 3.94Å; I177-W192 HydrophobicContact CG2-CD2 4.09Å; I177-W192 HydrophobicContact CG2-CE3 3.77Å; I177-W192 HydrophobicContact CG2-CG 4.2Å; I177-W192 WeakPolarHBondContact O-CZ3 3.39Å; I177-Q217 CarbonylContact O-C 3.52Å; I177-Q217 WeakPolarHBondContact O-CA 3.45Å; I177-L218 HydrophobicContact CB-CB 4.28Å; I177-L218 HydrophobicContact CD1-CD2 4.04Å; I177-L218 PolarHBondContact N-O 2.59Å; I177-L218 PolarHBondContact O-N 2.95Å |
| 178 | P | 94.3 | Very high | 83.1 | Confident | 23 Ų | 23 | 82.2 Ų | 82.2 | 15% | 0.149 | 43% | 0.432 | C | S | . | . | S | Bend | cis | -58.9 | 163.7 | -15.1 | 28.4 | -35 | 0 | 0 | 0 | 112.5 | S176 H183 I184 W192 Q217 | S176-P178 CarbonylContact C-O 3.52Å; S176-P178 CarbonylContact O-C 3.21Å; S176-P178 VanDerWaalsContact O-C 3.26Å; S176-P178 PolarHBondContact OG-O 3.45Å; S176-P178 VanDerWaalsContact OG-O 3.13Å; P178-H183 WeakPolarHBondContact CA-O 3.43Å; P178-H183 WeakPolarHBondContact CB-O 3.34Å; P178-I184 HydrophobicContact CB-CD1 4.35Å; P178-I184 HydrophobicContact CB-CG1 3.74Å; P178-W192 VanDerWaalsContact CD-CH2 3.48Å; P178-Q217 PolarHBondContact O-NE2 3.43Å |
| 179 | D | 92 | Very high | 83.6 | Confident | 58 Ų | 58 | 84.4 Ų | 84.4 | 31% | 0.31 | 44% | 0.439 | S | S | . | . | trans | -68.2 | 178.7 | 169.5 | 71.6 | 14.1 | 0 | 0 | 0 | 111.5 | S176 H181 G182 H183 | S176-D179 PolarHBondContact O-N 3.25Å; D179-H181 PolarHBondContact O-N 3.5Å; D179-H181 WeakPolarHBondContact OD1-CA 3.36Å; D179-H181 WeakPolarHBondContact OD1-CB 3.34Å; D179-H181 PolarHBondContact OD1-N 3.24Å; D179-G182 PolarHBondContact O-N 3.44Å; D179-G182 PolarHBondContact OD1-N 3.34Å; D179-G182 VanDerWaalsContact OD1-N 3.12Å; D179-H183 PolarHBondContact N-O 2.98Å; D179-H183 PolarHBondContact OD1-N 3.11Å; D179-H183 WeakPolarHBondContact OD2-CB 3.49Å | ||
| 180 | N | 91.4 | Very high | 84.7 | Confident | 146 Ų | 146 | 75.8 Ų | 75.8 | 78% | 0.781 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -10.4 | -178.3 | -64.2 | -20.7 | 0 | 0 | 0 | 113.9 | ||
| 181 | H | 92.6 | Very high | 86 | Confident | 175 Ų | 175 | 69.4 Ų | 69.4 | 81% | 0.81 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | 5.4 | 176.2 | -59.9 | -74.5 | 0 | 0 | 0 | 112.6 | D179 H183 | D179-H181 PolarHBondContact O-N 3.5Å; D179-H181 WeakPolarHBondContact OD1-CA 3.36Å; D179-H181 WeakPolarHBondContact OD1-CB 3.34Å; D179-H181 PolarHBondContact OD1-N 3.24Å; H181-H183 VanDerWaalsContact C-N 3.28Å; H181-H183 PolarHBondContact O-N 3.35Å |
| 182 | G | 89.6 | Confident | 87.4 | Confident | 55 Ų | 55 | 69 Ų | 69 | 57% | 0.567 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 80.3 | 6.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D179 | D179-G182 PolarHBondContact O-N 3.44Å; D179-G182 PolarHBondContact OD1-N 3.34Å; D179-G182 VanDerWaalsContact OD1-N 3.12Å |
| 183 | H | 92 | Very high | 88.7 | Confident | 113 Ų | 113 | 64.6 Ų | 64.6 | 52% | 0.523 | 34% | 0.341 | S | S | . | . | trans | -83.8 | 142.6 | -179.2 | -179.7 | 73.4 | 0 | 0 | 0 | 111.3 | P178 D179 H181 | P178-H183 WeakPolarHBondContact CA-O 3.43Å; P178-H183 WeakPolarHBondContact CB-O 3.34Å; D179-H183 PolarHBondContact N-O 2.98Å; D179-H183 PolarHBondContact OD1-N 3.11Å; D179-H183 WeakPolarHBondContact OD2-CB 3.49Å; H181-H183 VanDerWaalsContact C-N 3.28Å; H181-H183 PolarHBondContact O-N 3.35Å | ||
| 184 | I | 90.4 | Very high | 89.8 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 14% | 0.144 | 32% | 0.316 | C | S | . | . | trans | -124.7 | 116.8 | 174.2 | -58 | 177.6 | 0 | 0 | 0 | 107 | I177 P178 R189 W192 | I177-I184 HydrophobicContact CG2-CB 4.33Å; I177-I184 HydrophobicContact CG2-CD1 4.19Å; I177-I184 HydrophobicContact CG2-CG1 3.9Å; I177-I184 HydrophobicContact CG2-CG2 3.74Å; P178-I184 HydrophobicContact CB-CD1 4.35Å; P178-I184 HydrophobicContact CB-CG1 3.74Å; I184-R189 HydrophobicContact CG2-CB 4.24Å; I184-W192 HydrophobicContact CD1-CD2 3.9Å; I184-W192 HydrophobicContact CD1-CG 3.78Å; I184-W192 HydrophobicContact CD1-CZ2 4.48Å | ||
| 185 | D | 88.3 | Confident | 90.9 | Very high | 80 Ų | 80 | 51.9 Ų | 51.9 | 43% | 0.428 | 28% | 0.278 | S | S | . | . | trans | -53.7 | 127.6 | 171.9 | -175 | -38.1 | 0 | 0 | 0 | 109.3 | Y187 L188 R189 | D185-Y187 PolarHBondContact O-N 3.3Å; D185-Y187 WeakPolarHBondContact OD1-CB 3.05Å; D185-Y187 PolarHBondContact OD1-N 3.47Å; D185-L188 HydrophobicContact CB-CB 4.35Å; D185-L188 HydrophobicContact CB-CD1 4.07Å; D185-L188 HydrophobicContact CB-CG 4.12Å; D185-L188 WeakPolarHBondContact O-CA 3.39Å; D185-L188 PolarHBondContact O-N 3.32Å; D185-R189 PolarHBondContact O-N 3.04Å; D185-R189 VanDerWaalsContact O-N 3.1Å | ||
| 186 | P | 88.1 | Confident | 91.5 | Very high | 102 Ų | 102 | 51.8 Ų | 51.8 | 66% | 0.662 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -32.4 | 177.2 | -28.9 | 35.6 | 0 | 0 | 0 | 114.5 | R189 | P186-R189 WeakPolarHBondContact O-CB 3.33Å; P186-R189 PolarHBondContact O-N 3.2Å |
| 187 | Y | 85.6 | Confident | 91.7 | Very high | 119 Ų | 119 | 49.4 Ų | 49.4 | 47% | 0.467 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -32.9 | 176.3 | -178.6 | -102.9 | 0 | 0 | 0 | 113.1 | L168 D185 P190 | L168-Y187 HydrophobicContact CD2-CE1 3.71Å; L168-Y187 WeakPolarHBondContact CD2-OH 3.43Å; D185-Y187 PolarHBondContact O-N 3.3Å; D185-Y187 WeakPolarHBondContact OD1-CB 3.05Å; D185-Y187 PolarHBondContact OD1-N 3.47Å; Y187-P190 WeakPolarHBondContact O-CD 3.35Å |
| 188 | L | 88.3 | Confident | 91.9 | Very high | 30 Ų | 30 | 49.2 Ų | 49.2 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -11.8 | 178.6 | -61.5 | 177.2 | 0 | 0 | 0 | 112.6 | L172 I177 D185 I191 W192 | L172-L188 HydrophobicContact CD1-CD2 4.25Å; I177-L188 HydrophobicContact CD1-CB 3.92Å; I177-L188 HydrophobicContact CD1-CD1 3.94Å; I177-L188 HydrophobicContact CD1-CG 4.34Å; I177-L188 HydrophobicContact CG1-CB 4.48Å; I177-L188 HydrophobicContact CG1-CD1 4.06Å; D185-L188 HydrophobicContact CB-CB 4.35Å; D185-L188 HydrophobicContact CB-CD1 4.07Å; D185-L188 HydrophobicContact CB-CG 4.12Å; D185-L188 WeakPolarHBondContact O-CA 3.39Å; D185-L188 PolarHBondContact O-N 3.32Å; L188-I191 HydrophobicContact CD2-CD1 3.92Å; L188-I191 WeakPolarHBondContact O-CB 3.31Å; L188-I191 PolarHBondContact O-N 3.12Å; L188-W192 PolarHBondContact O-N 3.04Å; L188-W192 VanDerWaalsContact O-N 3.1Å |
| 189 | R | 88.8 | Confident | 92.1 | Very high | 61 Ų | 61 | 48.1 Ų | 48.1 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.8 | -42.7 | -178.6 | -170.6 | 63.3 | 178.7 | -103.9 | 7.6 | 114.2 | K111 I184 D185 P186 I191 W192 D193 | K111-R189 VanDerWaalsContact CE-NE 3.33Å; K111-R189 VanDerWaalsContact NZ-CG 3.27Å; I184-R189 HydrophobicContact CG2-CB 4.24Å; D185-R189 PolarHBondContact O-N 3.04Å; D185-R189 VanDerWaalsContact O-N 3.1Å; P186-R189 WeakPolarHBondContact O-CB 3.33Å; P186-R189 PolarHBondContact O-N 3.2Å; R189-I191 VanDerWaalsContact C-N 3.28Å; R189-I191 PolarHBondContact O-N 3.45Å; R189-W192 WeakPolarHBondContact O-CB 3.47Å; R189-W192 PolarHBondContact O-N 3.06Å; R189-D193 IonicContact NE-OD1 3.66Å; R189-D193 PolarHBondContact NE-OD1 3.31Å; R189-D193 PolarHBondContact O-N 3.04Å; R189-D193 VanDerWaalsContact O-OD2 3.09Å |
| 190 | P | 90.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.052 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -51.5 | -42.2 | 171.8 | -33.7 | 40.8 | 0 | 0 | 0 | 114.9 | L161 M165 Y187 L194 | L161-P190 HydrophobicContact CD1-CB 3.55Å; L161-P190 HydrophobicContact CD1-CG 3.93Å; M165-P190 HydrophobicContact SD-CB 3.33Å; M165-P190 WeakPolarHBondContact SD-CB 3.47Å; Y187-P190 WeakPolarHBondContact O-CD 3.35Å; P190-L194 PolarHBondContact O-N 3.35Å |
| 191 | I | 91.8 | Very high | 92.7 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.3 | -47.8 | 178.7 | -62.4 | 165.8 | 0 | 0 | 0 | 109.2 | M165 L168 L188 R189 D193 L194 A195 L218 V221 Y235 | M165-I191 HydrophobicContact CE-CG1 3.91Å; L168-I191 HydrophobicContact CD2-CD1 3.97Å; L188-I191 HydrophobicContact CD2-CD1 3.92Å; L188-I191 WeakPolarHBondContact O-CB 3.31Å; L188-I191 PolarHBondContact O-N 3.12Å; R189-I191 VanDerWaalsContact C-N 3.28Å; R189-I191 PolarHBondContact O-N 3.45Å; I191-D193 PolarHBondContact O-N 3.32Å; I191-L194 PolarHBondContact O-N 3.28Å; I191-A195 PolarHBondContact O-N 3.11Å; I191-L218 HydrophobicContact CG2-CD2 3.82Å; I191-V221 HydrophobicContact CG2-CB 4.29Å; I191-V221 HydrophobicContact CG2-CG1 4.27Å; I191-V221 HydrophobicContact CG2-CG2 3.94Å; I191-Y235 HydrophobicContact CG2-CE1 3.78Å |
| 192 | W | 93.5 | Very high | 92.9 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 4% | 0.038 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.4 | -43.3 | 178.3 | 172.8 | -98.8 | 0 | 0 | 0 | 113.1 | Y110 I177 P178 I184 L188 R189 L194 A195 F196 L215 L218 | Y110-W192 AromaticContact CZ-NE1 3.82Å; Y110-W192 PolarHBondContact OH-NE1 3.46Å; I177-W192 HydrophobicContact CB-CE3 4.25Å; I177-W192 HydrophobicContact CG2-CB 3.94Å; I177-W192 HydrophobicContact CG2-CD2 4.09Å; I177-W192 HydrophobicContact CG2-CE3 3.77Å; I177-W192 HydrophobicContact CG2-CG 4.2Å; I177-W192 WeakPolarHBondContact O-CZ3 3.39Å; P178-W192 VanDerWaalsContact CD-CH2 3.48Å; I184-W192 HydrophobicContact CD1-CD2 3.9Å; I184-W192 HydrophobicContact CD1-CG 3.78Å; I184-W192 HydrophobicContact CD1-CZ2 4.48Å; L188-W192 PolarHBondContact O-N 3.04Å; L188-W192 VanDerWaalsContact O-N 3.1Å; R189-W192 WeakPolarHBondContact O-CB 3.47Å; R189-W192 PolarHBondContact O-N 3.06Å; W192-L194 VanDerWaalsContact C-N 3.32Å; W192-L194 PolarHBondContact O-N 3.11Å; W192-A195 WeakPolarHBondContact O-CB 2.9Å; W192-A195 PolarHBondContact O-N 2.95Å; W192-F196 WeakPolarHBondContact O-CB 3.44Å; W192-F196 PolarHBondContact O-N 3.35Å; W192-L215 HydrophobicContact CD2-CD2 4.47Å; W192-L215 HydrophobicContact CE3-CD2 4.13Å; W192-L215 HydrophobicContact CH2-CB 4.48Å; W192-L215 HydrophobicContact CH2-CD1 4.46Å; W192-L215 HydrophobicContact CH2-CD2 3.58Å; W192-L215 HydrophobicContact CH2-CG 3.51Å; W192-L215 HydrophobicContact CZ2-CD2 3.92Å; W192-L215 HydrophobicContact CZ2-CG 4.14Å; W192-L215 HydrophobicContact CZ3-CD1 4.42Å; W192-L215 HydrophobicContact CZ3-CD2 3.65Å; W192-L215 HydrophobicContact CZ3-CG 3.83Å; W192-L218 HydrophobicContact CE3-CB 4.03Å; W192-L218 HydrophobicContact CZ3-CB 4.06Å |
| 193 | D | 93.7 | Very high | 93.3 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.027 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.7 | -36.1 | -179.5 | -53.9 | -42.8 | 0 | 0 | 0 | 112.1 | P77 L80 K111 R189 I191 F196 L197 | P77-D193 HydrophobicContact CB-CB 4.28Å; L80-D193 HydrophobicContact CD1-CB 4.08Å; K111-D193 WeakPolarHBondContact CE-OD1 3.49Å; K111-D193 WeakPolarHBondContact CE-OD2 3.18Å; K111-D193 VanDerWaalsContact NZ-CG 3.33Å; K111-D193 IonicContact NZ-OD1 2.93Å; K111-D193 PolarHBondContact NZ-OD1 2.71Å; K111-D193 IonicContact NZ-OD2 3.52Å; K111-D193 PolarHBondContact NZ-OD2 2.9Å; R189-D193 IonicContact NE-OD1 3.66Å; R189-D193 PolarHBondContact NE-OD1 3.31Å; R189-D193 PolarHBondContact O-N 3.04Å; R189-D193 VanDerWaalsContact O-OD2 3.09Å; I191-D193 PolarHBondContact O-N 3.32Å; D193-F196 PolarHBondContact O-N 3.33Å; D193-L197 WeakPolarHBondContact O-CB 3.34Å; D193-L197 PolarHBondContact O-N 2.91Å |
| 194 | L | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.2 | -39.9 | 173.3 | -78.5 | 169.1 | 0 | 0 | 0 | 111.5 | P77 M165 P190 I191 W192 F196 L197 G198 I231 F233 Y235 L254 W256 | P77-L194 HydrophobicContact CG-CD2 3.57Å; P77-L194 HydrophobicContact CG-CG 4.13Å; M165-L194 HydrophobicContact CE-CD1 3.91Å; M165-L194 HydrophobicContact CG-CD1 4.13Å; M165-L194 HydrophobicContact SD-CD1 4.37Å; P190-L194 PolarHBondContact O-N 3.35Å; I191-L194 PolarHBondContact O-N 3.28Å; W192-L194 VanDerWaalsContact C-N 3.32Å; W192-L194 PolarHBondContact O-N 3.11Å; L194-F196 VanDerWaalsContact C-N 3.34Å; L194-L197 HydrophobicContact CD2-CD2 4.39Å; L194-L197 WeakPolarHBondContact O-CB 2.88Å; L194-L197 PolarHBondContact O-N 3.3Å; L194-G198 PolarHBondContact O-N 3.32Å; L194-I231 HydrophobicContact CD1-CG2 4.24Å; L194-F233 HydrophobicContact CD1-CE2 4.39Å; L194-Y235 WeakPolarHBondContact CB-OH 3.4Å; L194-L254 HydrophobicContact CD2-CD2 4.37Å; L194-L254 WeakPolarHBondContact O-CD1 3.28Å; L194-W256 HydrophobicContact CD1-CE3 4.37Å; L194-W256 HydrophobicContact CD2-CB 4.27Å; L194-W256 HydrophobicContact CD2-CD2 3.77Å; L194-W256 HydrophobicContact CD2-CE3 3.99Å; L194-W256 HydrophobicContact CD2-CG 3.89Å |
| 195 | A | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I191 W192 G198 S199 L218 Y235 | I191-A195 PolarHBondContact O-N 3.11Å; W192-A195 WeakPolarHBondContact O-CB 2.9Å; W192-A195 PolarHBondContact O-N 2.95Å; A195-G198 PolarHBondContact O-N 2.99Å; A195-S199 VanDerWaalsContact O-CB 3.24Å; A195-S199 WeakPolarHBondContact O-CB 3.08Å; A195-S199 PolarHBondContact O-N 2.97Å; A195-S199 PolarHBondContact O-OG 3Å; A195-L218 HydrophobicContact CB-CD1 4.36Å; A195-L218 HydrophobicContact CB-CD2 4.11Å; A195-Y235 HydrophobicContact CB-CD1 4.08Å; A195-Y235 HydrophobicContact CB-CD2 4.47Å; A195-Y235 HydrophobicContact CB-CE1 4.04Å; A195-Y235 HydrophobicContact CB-CE2 4.44Å; A195-Y235 HydrophobicContact CB-CG 4.27Å |
| 196 | F | 96.1 | Very high | 94.2 | Very high | 18 Ų | 18 | 22.4 Ų | 22.4 | 8% | 0.079 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 174.3 | -171.8 | -82.1 | 0 | 0 | 0 | 111.9 | L80 Y110 W192 D193 L194 S199 S200 L215 | L80-F196 HydrophobicContact CD1-CD1 4.02Å; L80-F196 HydrophobicContact CD2-CD1 3.83Å; L80-F196 HydrophobicContact CD2-CE1 4.19Å; L80-F196 HydrophobicContact CG-CD1 4.49Å; Y110-F196 HydrophobicContact CD2-CZ 4.5Å; Y110-F196 HydrophobicContact CE2-CD2 4.42Å; Y110-F196 HydrophobicContact CE2-CE2 4.1Å; Y110-F196 HydrophobicContact CE2-CZ 4.33Å; W192-F196 WeakPolarHBondContact O-CB 3.44Å; W192-F196 PolarHBondContact O-N 3.35Å; D193-F196 PolarHBondContact O-N 3.33Å; L194-F196 VanDerWaalsContact C-N 3.34Å; F196-S199 PolarHBondContact O-N 3.39Å; F196-S200 PolarHBondContact O-N 3.42Å; F196-S200 PolarHBondContact O-OG 3.4Å; F196-L215 HydrophobicContact CB-CD2 4.01Å; F196-L215 HydrophobicContact CD2-CB 4.31Å; F196-L215 HydrophobicContact CD2-CD2 4.15Å |
| 197 | L | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.3 | -44.8 | 176.3 | -177.4 | 67.3 | 0 | 0 | 0 | 111.6 | N71 P77 L80 D193 L194 S200 L262 | N71-L197 WeakPolarHBondContact O-CD1 3.39Å; P77-L197 HydrophobicContact CG-CD2 4Å; L80-L197 HydrophobicContact CD2-CB 4.24Å; L80-L197 HydrophobicContact CD2-CD1 3.72Å; D193-L197 WeakPolarHBondContact O-CB 3.34Å; D193-L197 PolarHBondContact O-N 2.91Å; L194-L197 HydrophobicContact CD2-CD2 4.39Å; L194-L197 WeakPolarHBondContact O-CB 2.88Å; L194-L197 PolarHBondContact O-N 3.3Å; L197-S200 WeakPolarHBondContact O-CB 3.4Å; L197-S200 PolarHBondContact O-N 3.46Å; L197-L262 HydrophobicContact CD2-CD1 4.18Å; L197-L262 HydrophobicContact CD2-CD2 4.19Å; L197-L262 HydrophobicContact CG-CD2 3.86Å |
| 198 | G | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L194 A195 S200 Y201 V202 | L194-G198 PolarHBondContact O-N 3.32Å; A195-G198 PolarHBondContact O-N 2.99Å; G198-S200 PolarHBondContact O-N 3.36Å; G198-Y201 WeakPolarHBondContact O-CB 3.4Å; G198-Y201 PolarHBondContact O-N 2.94Å; G198-V202 PolarHBondContact O-N 3.34Å |
| 199 | S | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61.4 | -29.4 | 176.3 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | A195 F196 Y201 V202 M203 | A195-S199 VanDerWaalsContact O-CB 3.24Å; A195-S199 WeakPolarHBondContact O-CB 3.08Å; A195-S199 PolarHBondContact O-N 2.97Å; A195-S199 PolarHBondContact O-OG 3Å; F196-S199 PolarHBondContact O-N 3.39Å; S199-Y201 PolarHBondContact O-N 3.17Å; S199-V202 PolarHBondContact O-N 2.92Å; S199-M203 WeakPolarHBondContact O-CB 3.4Å; S199-M203 WeakPolarHBondContact O-CE 3.3Å; S199-M203 VanDerWaalsContact O-CG 3.23Å; S199-M203 WeakPolarHBondContact O-CG 3.3Å; S199-M203 PolarHBondContact O-N 3.11Å |
| 200 | S | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.7 | -31.8 | 174.4 | -62.5 | 0 | 0 | 0 | 0 | 112.8 | H68 F196 L197 G198 W204 | H68-S200 WeakPolarHBondContact CB-O 3.37Å; F196-S200 PolarHBondContact O-N 3.42Å; F196-S200 PolarHBondContact O-OG 3.4Å; L197-S200 WeakPolarHBondContact O-CB 3.4Å; L197-S200 PolarHBondContact O-N 3.46Å; G198-S200 PolarHBondContact O-N 3.36Å; S200-W204 WeakPolarHBondContact O-CB 3.44Å; S200-W204 PolarHBondContact O-N 3.03Å |
| 201 | Y | 98 | Very high | 94.6 | Very high | 32 Ų | 32 | 15.4 Ų | 15.4 | 13% | 0.125 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.9 | -50.3 | 171.3 | 174.1 | -96.5 | 0 | 0 | 0 | 111.1 | F72 G198 S199 W204 E205 V264 Y266 | F72-Y201 AromaticContact CD1-CD2 3.88Å; F72-Y201 HydrophobicContact CD1-CD2 3.88Å; F72-Y201 AromaticContact CD2-CD2 3.61Å; F72-Y201 HydrophobicContact CD2-CD2 3.61Å; F72-Y201 HydrophobicContact CD2-CG 4.06Å; F72-Y201 AromaticContact CE1-CD2 3.72Å; F72-Y201 HydrophobicContact CE1-CD2 3.72Å; F72-Y201 HydrophobicContact CE1-CE2 4.12Å; F72-Y201 AromaticContact CE2-CD2 3.43Å; F72-Y201 HydrophobicContact CE2-CD2 3.43Å; F72-Y201 VanDerWaalsContact CE2-CD2 3.43Å; F72-Y201 HydrophobicContact CE2-CE2 4.15Å; F72-Y201 HydrophobicContact CE2-CG 4.15Å; F72-Y201 AromaticContact CG-CD2 3.83Å; F72-Y201 HydrophobicContact CG-CD2 3.83Å; F72-Y201 HydrophobicContact CG-CG 4.41Å; F72-Y201 AromaticContact CZ-CD2 3.49Å; F72-Y201 HydrophobicContact CZ-CD2 3.49Å; F72-Y201 VanDerWaalsContact CZ-CD2 3.49Å; F72-Y201 AromaticContact CZ-CE2 3.84Å; F72-Y201 HydrophobicContact CZ-CE2 3.84Å; G198-Y201 WeakPolarHBondContact O-CB 3.4Å; G198-Y201 PolarHBondContact O-N 2.94Å; S199-Y201 PolarHBondContact O-N 3.17Å; Y201-W204 AromaticContact CD2-CE3 3.99Å; Y201-W204 HydrophobicContact CD2-CE3 3.99Å; Y201-W204 AromaticContact CD2-CZ3 3.96Å; Y201-W204 HydrophobicContact CD2-CZ3 3.96Å; Y201-W204 HydrophobicContact CE2-CE3 4.13Å; Y201-W204 AromaticContact CE2-CZ3 3.69Å; Y201-W204 HydrophobicContact CE2-CZ3 3.69Å; Y201-W204 PolarHBondContact O-N 2.75Å; Y201-E205 WeakPolarHBondContact CE1-OE2 3.47Å; Y201-E205 PolarHBondContact O-N 3.09Å; Y201-E205 PolarHBondContact OH-OE2 3.43Å; Y201-V264 HydrophobicContact CD1-CB 3.71Å; Y201-V264 HydrophobicContact CD1-CG1 3.59Å; Y201-V264 HydrophobicContact CD1-CG2 4.48Å; Y201-V264 HydrophobicContact CE1-CB 4.31Å; Y201-V264 HydrophobicContact CE1-CG1 4.33Å; Y201-V264 HydrophobicContact CG-CB 3.94Å; Y201-V264 HydrophobicContact CG-CG1 4.15Å; Y201-V264 HydrophobicContact CG-CG2 4.26Å; Y201-Y266 HydrophobicContact CD1-CD1 4.24Å; Y201-Y266 HydrophobicContact CD1-CE1 4.5Å; Y201-Y266 AromaticContact CE1-CD1 3.83Å; Y201-Y266 HydrophobicContact CE1-CD1 3.83Å; Y201-Y266 AromaticContact CE1-CE1 3.84Å; Y201-Y266 HydrophobicContact CE1-CE1 3.84Å |
| 202 | V | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.4 | -47.3 | -177.7 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | G198 S199 W204 E205 M206 L239 I252 V264 Y266 | G198-V202 PolarHBondContact O-N 3.34Å; S199-V202 PolarHBondContact O-N 2.92Å; V202-W204 VanDerWaalsContact C-N 3.32Å; V202-W204 PolarHBondContact O-N 3.31Å; V202-E205 PolarHBondContact O-N 3.47Å; V202-E205 VanDerWaalsContact O-N 3.11Å; V202-M206 HydrophobicContact CG1-CG 4.24Å; V202-M206 HydrophobicContact CG1-SD 3.57Å; V202-M206 VanDerWaalsContact CG1-SD 3.57Å; V202-M206 WeakPolarHBondContact O-CB 3Å; V202-M206 WeakPolarHBondContact O-CG 3.39Å; V202-M206 PolarHBondContact O-N 3.42Å; V202-L239 HydrophobicContact CB-CD1 4.43Å; V202-L239 HydrophobicContact CG1-CD1 3.73Å; V202-I252 HydrophobicContact CB-CD1 4.35Å; V202-I252 HydrophobicContact CG2-CD1 3.59Å; V202-I252 HydrophobicContact CG2-CG1 3.94Å; V202-V264 HydrophobicContact CG2-CG1 4.48Å; V202-Y266 HydrophobicContact CB-CD2 4.34Å; V202-Y266 HydrophobicContact CB-CG 4.42Å; V202-Y266 HydrophobicContact CG1-CD2 3.57Å; V202-Y266 HydrophobicContact CG1-CE2 3.78Å; V202-Y266 HydrophobicContact CG1-CG 4.12Å; V202-Y266 HydrophobicContact CG2-CD1 4.01Å; V202-Y266 HydrophobicContact CG2-CD2 3.93Å; V202-Y266 HydrophobicContact CG2-CG 3.57Å |
| 203 | M | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60 | -40.4 | 177.3 | -69.3 | -174.3 | -73.2 | 0 | 0 | 111.6 | S199 T207 Y213 Y214 L239 | S199-M203 WeakPolarHBondContact O-CB 3.4Å; S199-M203 WeakPolarHBondContact O-CE 3.3Å; S199-M203 VanDerWaalsContact O-CG 3.23Å; S199-M203 WeakPolarHBondContact O-CG 3.3Å; S199-M203 PolarHBondContact O-N 3.11Å; M203-T207 VanDerWaalsContact O-CB 3.31Å; M203-T207 WeakPolarHBondContact O-CB 3.42Å; M203-T207 PolarHBondContact O-N 2.92Å; M203-T207 VanDerWaalsContact O-N 3.12Å; M203-T207 PolarHBondContact O-OG1 2.89Å; M203-Y213 VanDerWaalsContact SD-O 3.38Å; M203-Y214 VanDerWaalsContact SD-CA 3.59Å; M203-L239 HydrophobicContact CG-CD1 4.21Å; M203-L239 HydrophobicContact CG-CD2 4.25Å |
| 204 | W | 97.4 | Very high | 94.5 | Very high | 20 Ų | 20 | 20.3 Ų | 20.3 | 8% | 0.076 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.5 | -45.8 | 172.9 | 161.3 | 59.2 | 0 | 0 | 0 | 111.9 | H68 F69 F72 R138 P139 S200 Y201 V202 M206 T207 | H68-W204 HydrophobicContact CB-CB 3.92Å; F69-W204 HydrophobicContact CB-CD2 4.37Å; F69-W204 HydrophobicContact CB-CG 4Å; F69-W204 AromaticContact CD2-CD2 3.77Å; F69-W204 HydrophobicContact CD2-CD2 3.77Å; F69-W204 AromaticContact CD2-CE2 3.56Å; F69-W204 HydrophobicContact CD2-CE3 4.13Å; F69-W204 HydrophobicContact CD2-CG 4.29Å; F69-W204 HydrophobicContact CD2-CH2 4.08Å; F69-W204 AromaticContact CD2-CZ2 3.73Å; F69-W204 HydrophobicContact CD2-CZ2 3.73Å; F69-W204 HydrophobicContact CD2-CZ3 4.27Å; F69-W204 AromaticContact CD2-NE1 4Å; F69-W204 HydrophobicContact CE2-CH2 4Å; F69-W204 AromaticContact CE2-CZ2 3.81Å; F69-W204 HydrophobicContact CE2-CZ2 3.81Å; F72-W204 HydrophobicContact CD1-CE3 4.37Å; F72-W204 HydrophobicContact CD1-CZ3 4.36Å; F72-W204 HydrophobicContact CE1-CZ3 4.2Å; R138-W204 HydrophobicContact CG-CH2 4.26Å; R138-W204 HydrophobicContact CG-CZ2 3.9Å; P139-W204 PolarHBondContact O-NE1 3.32Å; S200-W204 WeakPolarHBondContact O-CB 3.44Å; S200-W204 PolarHBondContact O-N 3.03Å; Y201-W204 AromaticContact CD2-CE3 3.99Å; Y201-W204 HydrophobicContact CD2-CE3 3.99Å; Y201-W204 AromaticContact CD2-CZ3 3.96Å; Y201-W204 HydrophobicContact CD2-CZ3 3.96Å; Y201-W204 HydrophobicContact CE2-CE3 4.13Å; Y201-W204 AromaticContact CE2-CZ3 3.69Å; Y201-W204 HydrophobicContact CE2-CZ3 3.69Å; Y201-W204 PolarHBondContact O-N 2.75Å; V202-W204 VanDerWaalsContact C-N 3.32Å; V202-W204 PolarHBondContact O-N 3.31Å; W204-M206 VanDerWaalsContact C-N 3.33Å; W204-M206 PolarHBondContact O-N 3.44Å; W204-T207 PolarHBondContact O-N 3.29Å |
| 205 | E | 96.6 | Very high | 94.6 | Very high | 32 Ų | 32 | 21 Ų | 21 | 15% | 0.15 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.6 | -36 | -177.6 | -173.2 | 157 | -154 | 0 | 0 | 112.4 | P137 R138 Y201 V202 Y266 | P137-E205 WeakPolarHBondContact CB-O 3.49Å; R138-E205 WeakPolarHBondContact CA-O 3.14Å; R138-E205 HydrophobicContact CB-CG 4.26Å; R138-E205 WeakPolarHBondContact CB-O 3.4Å; R138-E205 HydrophobicContact CG-CG 4.25Å; R138-E205 IonicContact CZ-OE1 2.77Å; R138-E205 PolarHBondContact N-O 2.93Å; R138-E205 IonicContact NH1-OE1 3.68Å; R138-E205 PolarHBondContact NH1-OE1 3.34Å; Y201-E205 WeakPolarHBondContact CE1-OE2 3.47Å; Y201-E205 PolarHBondContact O-N 3.09Å; Y201-E205 PolarHBondContact OH-OE2 3.43Å; V202-E205 PolarHBondContact O-N 3.47Å; V202-E205 VanDerWaalsContact O-N 3.11Å; E205-Y266 VanDerWaalsContact CD-OH 3.26Å; E205-Y266 HydrophobicContact CG-CE1 4.38Å; E205-Y266 VanDerWaalsContact CG-OH 3.25Å; E205-Y266 WeakPolarHBondContact CG-OH 3.4Å; E205-Y266 WeakPolarHBondContact OE2-CE1 3.14Å; E205-Y266 PolarHBondContact OE2-OH 2.99Å |
| 206 | M | 94.6 | Very high | 94.6 | Very high | 31 Ų | 31 | 22.9 Ų | 22.9 | 15% | 0.153 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -82.4 | -15.9 | 178.4 | -66.6 | 177.5 | 67.7 | 0 | 0 | 113.9 | V202 W204 T208 Y213 L239 I248 Y266 C268 | V202-M206 HydrophobicContact CG1-CG 4.24Å; V202-M206 HydrophobicContact CG1-SD 3.57Å; V202-M206 VanDerWaalsContact CG1-SD 3.57Å; V202-M206 WeakPolarHBondContact O-CB 3Å; V202-M206 WeakPolarHBondContact O-CG 3.39Å; V202-M206 PolarHBondContact O-N 3.42Å; W204-M206 VanDerWaalsContact C-N 3.33Å; W204-M206 PolarHBondContact O-N 3.44Å; M206-T208 PolarHBondContact O-N 2.86Å; M206-Y213 HydrophobicContact CB-CD2 4.28Å; M206-Y213 HydrophobicContact CB-CE2 3.74Å; M206-Y213 HydrophobicContact CE-CE1 3.99Å; M206-Y213 WeakPolarHBondContact O-CE2 3.11Å; M206-L239 HydrophobicContact SD-CD1 4.16Å; M206-I248 HydrophobicContact CE-CD1 4.18Å; M206-I248 HydrophobicContact CE-CG2 4.45Å; M206-Y266 HydrophobicContact CG-CE2 4.43Å; M206-Y266 HydrophobicContact SD-CE2 4.49Å; M206-C268 HydrophobicContact CE-CB 4.38Å; M206-C268 HydrophobicContact SD-CB 4.36Å; M206-C268 PolarHBondContact SD-SG 3.23Å |
| 207 | T | 93.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | trans | -64 | 133 | -175.2 | -75.8 | 0 | 0 | 0 | 0 | 112.1 | Q61 A65 F132 P137 R138 P139 M203 W204 | Q61-T207 VanDerWaalsContact NE2-CG2 3.25Å; A65-T207 HydrophobicContact CB-CG2 3.86Å; F132-T207 HydrophobicContact CE1-CG2 3.99Å; P137-T207 CarbonylContact C-O 3.53Å; P137-T207 VanDerWaalsContact CA-O 3.29Å; P137-T207 WeakPolarHBondContact CA-O 3.11Å; R138-T207 PolarHBondContact N-O 3.21Å; R138-T207 VanDerWaalsContact N-O 3.11Å; P139-T207 WeakPolarHBondContact CD-O 3.45Å; P139-T207 HydrophobicContact CG-CG2 4.26Å; M203-T207 VanDerWaalsContact O-CB 3.31Å; M203-T207 WeakPolarHBondContact O-CB 3.42Å; M203-T207 PolarHBondContact O-N 2.92Å; M203-T207 VanDerWaalsContact O-N 3.12Å; M203-T207 PolarHBondContact O-OG1 2.89Å; W204-T207 PolarHBondContact O-N 3.29Å | ||
| 208 | T | 92.1 | Very high | 94.6 | Very high | 31 Ų | 31 | 24.1 Ų | 24.1 | 19% | 0.19 | 12% | 0.122 | C | C | . | . | trans | -115.8 | -173 | 169.5 | 71.5 | 0 | 0 | 0 | 0 | 110.4 | F132 P137 M206 V210 S211 | F132-T208 VanDerWaalsContact CE1-O 3.3Å; F132-T208 WeakPolarHBondContact CE1-O 3.44Å; P137-T208 HydrophobicContact CB-CG2 4.13Å; M206-T208 PolarHBondContact O-N 2.86Å; T208-V210 PolarHBondContact O-N 2.91Å; T208-V210 PolarHBondContact OG1-N 2.82Å; T208-S211 PolarHBondContact N-OG 3.12Å; T208-S211 WeakPolarHBondContact OG1-CB 2.98Å; T208-S211 PolarHBondContact OG1-N 3.49Å; T208-S211 VanDerWaalsContact OG1-N 3.09Å; T208-S211 PolarHBondContact OG1-OG 2.87Å | ||
| 209 | Q | 88.4 | Confident | 94.5 | Very high | 53 Ų | 53 | 25.9 Ų | 25.9 | 25% | 0.248 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -63.2 | -25.1 | 174.8 | -67.4 | 174.3 | -19.1 | 0 | 0 | 113.4 | C99 F132 N134 | C99-Q209 PolarHBondContact SG-NE2 3.39Å; C99-Q209 VanDerWaalsContact SG-NE2 3.45Å; F132-Q209 HydrophobicContact CB-CG 3.28Å; F132-Q209 HydrophobicContact CD1-CG 3.99Å; F132-Q209 HydrophobicContact CD2-CG 4.37Å; F132-Q209 HydrophobicContact CG-CG 3.66Å; N134-Q209 PolarHBondContact OD1-NE2 3.37Å |
| 210 | V | 86.8 | Confident | 94.3 | Very high | 85 Ų | 85 | 27.5 Ų | 27.5 | 52% | 0.515 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -117.7 | -26.1 | -171 | -63.9 | 0 | 0 | 0 | 0 | 113.3 | R57 T208 S243 | R57-V210 PolarHBondContact NH2-O 3.46Å; R57-V210 VanDerWaalsContact NH2-O 3.09Å; T208-V210 PolarHBondContact O-N 2.91Å; T208-V210 PolarHBondContact OG1-N 2.82Å; V210-S243 PolarHBondContact O-OG 2.82Å |
| 211 | S | 88.9 | Confident | 94 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | trans | -83.9 | 139.4 | -175.1 | 64.4 | 0 | 0 | 0 | 0 | 112.1 | Q61 T208 Y213 E241 | Q61-S211 VanDerWaalsContact CD-O 3.23Å; Q61-S211 PolarHBondContact NE2-O 3.3Å; Q61-S211 PolarHBondContact OE1-O 3.31Å; T208-S211 PolarHBondContact N-OG 3.12Å; T208-S211 WeakPolarHBondContact OG1-CB 2.98Å; T208-S211 PolarHBondContact OG1-N 3.49Å; T208-S211 VanDerWaalsContact OG1-N 3.09Å; T208-S211 PolarHBondContact OG1-OG 2.87Å; S211-Y213 WeakPolarHBondContact OG-CE2 3.3Å; S211-E241 WeakPolarHBondContact CA-OE1 3.47Å; S211-E241 WeakPolarHBondContact CB-OE1 3.47Å | ||
| 212 | H | 88.9 | Confident | 93.6 | Very high | 13 Ų | 13 | 32.4 Ų | 32.4 | 6% | 0.06 | 16% | 0.163 | C | C | . | . | trans | -137.8 | 119.9 | -178.9 | 174.1 | -159 | 0 | 0 | 0 | 110.1 | R64 Y214 E241 L242 | R64-H212 VanDerWaalsContact CD-CD2 3.4Å; R64-H212 WeakPolarHBondContact CD-CD2 3.5Å; R64-H212 WeakPolarHBondContact CD-CE1 3.29Å; R64-H212 WeakPolarHBondContact CD-NE2 3.21Å; R64-H212 PolarHBondContact NE-CE1 2.99Å; R64-H212 PolarHBondContact NE-NE2 2.97Å; R64-H212 VanDerWaalsContact NE-NE2 3.12Å; R64-H212 PolarHBondContact NH1-CE1 3.02Å; H212-Y214 AromaticContact CE1-CD2 3.92Å; H212-Y214 AromaticContact CE1-CE2 3.08Å; H212-Y214 WeakPolarHBondContact CE1-CE2 3.42Å; H212-Y214 AromaticContact CE1-CZ 3.58Å; H212-Y214 AromaticContact NE2-CD2 3.53Å; H212-Y214 AromaticContact NE2-CE2 2.88Å; H212-Y214 WeakPolarHBondContact NE2-CE2 3.35Å; H212-Y214 AromaticContact NE2-CZ 3.12Å; H212-Y214 PolarHBondContact NE2-OH 3.4Å; H212-E241 CarbonylContact O-C 3.47Å; H212-E241 WeakPolarHBondContact O-CA 3.34Å; H212-L242 VanDerWaalsContact CE1-CD1 3.49Å; H212-L242 WeakPolarHBondContact CE1-CD1 3.33Å; H212-L242 PolarHBondContact O-N 3.2Å | ||
| 213 | Y | 94.1 | Very high | 93.2 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 7% | 0.067 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 145.6 | -173.4 | -55.3 | -83.9 | 0 | 0 | 0 | 113 | M203 M206 S211 H240 E241 I248 | M203-Y213 VanDerWaalsContact SD-O 3.38Å; M206-Y213 HydrophobicContact CB-CD2 4.28Å; M206-Y213 HydrophobicContact CB-CE2 3.74Å; M206-Y213 HydrophobicContact CE-CE1 3.99Å; M206-Y213 WeakPolarHBondContact O-CE2 3.11Å; S211-Y213 WeakPolarHBondContact OG-CE2 3.3Å; Y213-H240 CarbonylContact C-O 3.59Å; Y213-H240 VanDerWaalsContact CA-O 3.3Å; Y213-H240 WeakPolarHBondContact CA-O 3.3Å; Y213-E241 HydrophobicContact CD1-CB 3.81Å; Y213-E241 HydrophobicContact CD1-CG 4.05Å; Y213-E241 HydrophobicContact CE1-CB 3.63Å; Y213-E241 HydrophobicContact CE1-CG 3.66Å; Y213-I248 HydrophobicContact CD1-CD1 4.4Å; Y213-I248 HydrophobicContact CE1-CD1 3.75Å |
| 214 | Y | 94.3 | Very high | 92.5 | Very high | 91 Ų | 91 | 40.8 Ų | 40.8 | 36% | 0.357 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 152.1 | 164.1 | -75.8 | -73.7 | 0 | 0 | 0 | 111.2 | R64 M203 H212 A216 L239 H240 L242 | R64-Y214 PolarHBondContact NE-OH 2.91Å; R64-Y214 VanDerWaalsContact NE-OH 3.11Å; M203-Y214 VanDerWaalsContact SD-CA 3.59Å; H212-Y214 AromaticContact CE1-CD2 3.92Å; H212-Y214 AromaticContact CE1-CE2 3.08Å; H212-Y214 WeakPolarHBondContact CE1-CE2 3.42Å; H212-Y214 AromaticContact CE1-CZ 3.58Å; H212-Y214 AromaticContact NE2-CD2 3.53Å; H212-Y214 AromaticContact NE2-CE2 2.88Å; H212-Y214 WeakPolarHBondContact NE2-CE2 3.35Å; H212-Y214 AromaticContact NE2-CZ 3.12Å; H212-Y214 PolarHBondContact NE2-OH 3.4Å; Y214-A216 PolarHBondContact O-N 3.1Å; Y214-L239 CarbonylContact O-C 3.58Å; Y214-L239 VanDerWaalsContact O-CA 3.31Å; Y214-L239 WeakPolarHBondContact O-CA 3.4Å; Y214-H240 PolarHBondContact N-O 2.98Å; Y214-H240 PolarHBondContact O-N 2.04Å; Y214-L242 HydrophobicContact CD2-CD1 3.38Å; Y214-L242 HydrophobicContact CD2-CG 4.17Å; Y214-L242 HydrophobicContact CE2-CD1 3.38Å |
| 215 | L | 96.1 | Very high | 91.5 | Very high | 15 Ų | 15 | 49.3 Ų | 49.3 | 8% | 0.079 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 109.1 | 167.5 | 176.2 | 60.7 | 0 | 0 | 0 | 108.9 | W192 F196 V237 L239 | W192-L215 HydrophobicContact CD2-CD2 4.47Å; W192-L215 HydrophobicContact CE3-CD2 4.13Å; W192-L215 HydrophobicContact CH2-CB 4.48Å; W192-L215 HydrophobicContact CH2-CD1 4.46Å; W192-L215 HydrophobicContact CH2-CD2 3.58Å; W192-L215 HydrophobicContact CH2-CG 3.51Å; W192-L215 HydrophobicContact CZ2-CD2 3.92Å; W192-L215 HydrophobicContact CZ2-CG 4.14Å; W192-L215 HydrophobicContact CZ3-CD1 4.42Å; W192-L215 HydrophobicContact CZ3-CD2 3.65Å; W192-L215 HydrophobicContact CZ3-CG 3.83Å; F196-L215 HydrophobicContact CB-CD2 4.01Å; F196-L215 HydrophobicContact CD2-CB 4.31Å; F196-L215 HydrophobicContact CD2-CD2 4.15Å; L215-V237 HydrophobicContact CD1-CB 3.55Å; L215-V237 HydrophobicContact CD1-CG1 3.85Å; L215-V237 HydrophobicContact CD1-CG2 4.27Å; L215-L239 HydrophobicContact CB-CD2 4.4Å; L215-L239 HydrophobicContact CD1-CD2 4.15Å |
| 216 | A | 95.9 | Very high | 90.1 | Very high | 39 Ų | 39 | 49.5 Ų | 49.5 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -47.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y214 L238 H240 | Y214-A216 PolarHBondContact O-N 3.1Å; A216-L238 WeakPolarHBondContact CB-O 3.44Å; A216-L238 PolarHBondContact N-O 2.95Å; A216-H240 HydrophobicContact CB-CB 4.13Å |
| 217 | Q | 96.4 | Very high | 88.8 | Confident | 44 Ų | 44 | 56.8 Ų | 56.8 | 21% | 0.206 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 153.2 | -173.3 | -164.4 | 173.3 | 64.2 | 0 | 0 | 111.9 | S176 I177 P178 T219 V237 L238 | S176-Q217 PolarHBondContact OG-NE2 3.37Å; I177-Q217 CarbonylContact O-C 3.52Å; I177-Q217 WeakPolarHBondContact O-CA 3.45Å; P178-Q217 PolarHBondContact O-NE2 3.43Å; Q217-T219 HydrophobicContact CG-CG2 4.37Å; Q217-V237 CarbonylContact O-C 3.52Å; Q217-V237 WeakPolarHBondContact O-CA 3.33Å; Q217-L238 HydrophobicContact CB-CB 4.24Å; Q217-L238 HydrophobicContact CB-CD1 4.18Å; Q217-L238 HydrophobicContact CB-CG 4.39Å; Q217-L238 PolarHBondContact N-O 3.37Å; Q217-L238 PolarHBondContact O-N 3.26Å |
| 218 | L | 96 | Very high | 87.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.9 | 167.1 | 172.4 | 65.9 | 0 | 0 | 0 | 107.6 | V175 I177 I191 W192 A195 S220 Y235 T236 V237 | V175-L218 HydrophobicContact CG2-CD2 4.47Å; V175-L218 HydrophobicContact CG2-CG 4.14Å; I177-L218 HydrophobicContact CB-CB 4.28Å; I177-L218 HydrophobicContact CD1-CD2 4.04Å; I177-L218 PolarHBondContact N-O 2.59Å; I177-L218 PolarHBondContact O-N 2.95Å; I191-L218 HydrophobicContact CG2-CD2 3.82Å; W192-L218 HydrophobicContact CE3-CB 4.03Å; W192-L218 HydrophobicContact CZ3-CB 4.06Å; A195-L218 HydrophobicContact CB-CD1 4.36Å; A195-L218 HydrophobicContact CB-CD2 4.11Å; L218-S220 WeakPolarHBondContact CD1-O 3.3Å; L218-Y235 HydrophobicContact CD1-CD1 3.6Å; L218-Y235 HydrophobicContact CD1-CG 4.15Å; L218-Y235 HydrophobicContact CD2-CD1 4.13Å; L218-Y235 HydrophobicContact CD2-CE1 4.32Å; L218-T236 WeakPolarHBondContact CD1-O 3.35Å; L218-V237 HydrophobicContact CD1-CG1 3.87Å |
| 219 | T | 94.7 | Very high | 87.3 | Confident | 38 Ų | 38 | 64.3 Ų | 64.3 | 23% | 0.233 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -21.7 | -173.1 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | V175 Q217 T236 L238 | V175-T219 PolarHBondContact N-O 3.5Å; V175-T219 CarbonylContact O-C 3.59Å; V175-T219 WeakPolarHBondContact O-CA 3.23Å; Q217-T219 HydrophobicContact CG-CG2 4.37Å; T219-T236 PolarHBondContact N-O 3.06Å; T219-T236 WeakPolarHBondContact OG1-CG2 3.23Å; T219-T236 PolarHBondContact OG1-O 2.87Å; T219-L238 HydrophobicContact CG2-CD1 3.76Å; T219-L238 HydrophobicContact CG2-CD2 4.34Å; T219-L238 HydrophobicContact CG2-CG 3.78Å |
| 220 | S | 93.5 | Very high | 87.4 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 140.3 | 178.6 | 178 | 0 | 0 | 0 | 0 | 110.6 | E173 L218 Y235 T236 | E173-S220 WeakPolarHBondContact O-CA 3.41Å; E173-S220 VanDerWaalsContact O-CB 3.3Å; E173-S220 WeakPolarHBondContact O-CB 3.37Å; E173-S220 PolarHBondContact O-OG 3.49Å; L218-S220 WeakPolarHBondContact CD1-O 3.3Å; S220-Y235 CarbonylContact O-C 3.59Å; S220-Y235 WeakPolarHBondContact O-CA 3.48Å; S220-T236 PolarHBondContact N-O 2.92Å; S220-T236 PolarHBondContact O-N 3Å |
| 221 | V | 92.8 | Very high | 87.6 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 130.7 | 172.2 | 55.5 | 0 | 0 | 0 | 0 | 110 | P171 L172 V175 I191 F233 D234 Y235 | P171-V221 HydrophobicContact CB-CG1 3.86Å; P171-V221 HydrophobicContact CB-CG2 4.04Å; L172-V221 VanDerWaalsContact O-CG1 3.27Å; L172-V221 WeakPolarHBondContact O-CG1 3.3Å; V175-V221 HydrophobicContact CG1-CG1 4.4Å; V175-V221 HydrophobicContact CG2-CG1 4.15Å; I191-V221 HydrophobicContact CG2-CB 4.29Å; I191-V221 HydrophobicContact CG2-CG1 4.27Å; I191-V221 HydrophobicContact CG2-CG2 3.94Å; V221-F233 HydrophobicContact CG2-CD1 3.4Å; V221-F233 HydrophobicContact CG2-CE1 3.61Å; V221-F233 HydrophobicContact CG2-CG 4.32Å; V221-D234 CarbonylContact C-O 3.26Å; V221-D234 WeakPolarHBondContact CA-O 3.44Å; V221-Y235 HydrophobicContact CB-CD1 3.97Å; V221-Y235 HydrophobicContact CB-CE1 4.11Å; V221-Y235 HydrophobicContact CG2-CD1 3.77Å; V221-Y235 HydrophobicContact CG2-CE1 3.49Å; V221-Y235 VanDerWaalsContact CG2-CE1 3.49Å |
| 222 | R | 90.4 | Very high | 87.8 | Confident | 134 Ų | 134 | 60 Ų | 60 | 51% | 0.506 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 121.4 | 173.5 | 177.7 | 177.1 | -82.2 | -166.6 | -3 | 109.3 | E173 F233 D234 | E173-R222 IonicContact OE1-CZ 3.58Å; E173-R222 IonicContact OE1-NE 3.72Å; E173-R222 IonicContact OE1-NH2 2.71Å; E173-R222 PolarHBondContact OE1-NH2 3.34Å; R222-F233 CarbonylContact O-C 3.59Å; R222-F233 WeakPolarHBondContact O-CA 3.45Å; R222-D234 HydrophobicContact CB-CB 4.44Å; R222-D234 PolarHBondContact N-O 3.49Å; R222-D234 PolarHBondContact O-N 3.46Å |
| 223 | Q | 88 | Confident | 88 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 21% | 0.21 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 130.7 | 172.8 | -172.9 | 168.5 | 10.7 | 0 | 0 | 109.3 | P171 D232 F233 | P171-Q223 HydrophobicContact CG-CB 3.28Å; P171-Q223 HydrophobicContact CG-CG 4.46Å; Q223-D232 WeakPolarHBondContact CA-O 3.37Å; Q223-F233 HydrophobicContact CB-CD1 3.81Å; Q223-F233 HydrophobicContact CB-CE1 3.5Å; Q223-F233 VanDerWaalsContact CB-CE1 3.5Å; Q223-F233 HydrophobicContact CB-CZ 4.22Å; Q223-F233 HydrophobicContact CG-CD1 4.32Å; Q223-F233 HydrophobicContact CG-CE1 3.96Å; Q223-F233 HydrophobicContact CG-CZ 4.22Å |
| 224 | W | 83.5 | Confident | 88 | Confident | 131 Ų | 131 | 60.9 Ų | 60.9 | 50% | 0.496 | 30% | 0.299 | S | S | . | . | trans | -78.6 | 139.5 | 173.7 | -73.6 | 61.4 | 0 | 0 | 0 | 109.6 | T226 D232 D234 | W224-T226 HydrophobicContact CB-CG2 4.28Å; W224-T226 PolarHBondContact O-N 2.85Å; W224-D232 HydrophobicContact CB-CB 4.09Å; W224-D232 PolarHBondContact N-O 3.09Å; W224-D234 VanDerWaalsContact CE2-OD2 3.32Å; W224-D234 WeakPolarHBondContact CZ2-OD2 3.49Å; W224-D234 PolarHBondContact NE1-OD2 2.95Å | ||
| 225 | K | 75.3 | Confident | 88.1 | Confident | 200 Ų | 200 | 56.6 Ų | 56.6 | 87% | 0.87 | 28% | 0.282 | S | S | * | . | trans | -71.9 | 100 | 168.3 | -72.5 | -176.3 | -178 | 176.8 | 0 | 107.6 | ||||
| 226 | T | 68.6 | Low | 88.2 | Confident | 35 Ų | 35 | 57.2 Ų | 57.2 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | trans | -98.1 | 138.8 | 174.1 | 66.9 | 0 | 0 | 0 | 0 | 110.5 | W224 D228 D232 | W224-T226 HydrophobicContact CB-CG2 4.28Å; W224-T226 PolarHBondContact O-N 2.85Å; T226-D228 WeakPolarHBondContact CB-OD1 3.46Å; T226-D228 PolarHBondContact O-N 3.03Å; T226-D228 PolarHBondContact OG1-O 3.31Å; T226-D228 PolarHBondContact OG1-OD1 3.24Å; T226-D232 HydrophobicContact CG2-CB 3.43Å; T226-D232 VanDerWaalsContact CG2-CB 3.43Å | ||
| 227 | N | 65.9 | Low | 88.2 | Confident | 184 Ų | 184 | 55.3 Ų | 55.3 | 98% | 0.984 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -78.3 | -2.5 | 167.8 | -67.5 | -22.5 | 0 | 0 | 0 | 111.6 | ||
| 228 | D | 70.3 | Confident | 88.3 | Confident | 77 Ų | 77 | 54.9 Ų | 54.9 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -100.1 | 165 | -179.6 | 67.1 | 22.9 | 0 | 0 | 0 | 112.2 | K166 T226 T230 | K166-D228 PolarHBondContact NZ-O 2.95Å; T226-D228 WeakPolarHBondContact CB-OD1 3.46Å; T226-D228 PolarHBondContact O-N 3.03Å; T226-D228 PolarHBondContact OG1-O 3.31Å; T226-D228 PolarHBondContact OG1-OD1 3.24Å; D228-T230 VanDerWaalsContact CG-OG1 3.27Å; D228-T230 PolarHBondContact O-N 2.72Å; D228-T230 VanDerWaalsContact O-N 3.08Å; D228-T230 WeakPolarHBondContact OD1-CB 3.37Å; D228-T230 PolarHBondContact OD1-N 2.95Å; D228-T230 PolarHBondContact OD1-OG1 2.73Å; D228-T230 PolarHBondContact OD2-OG1 3.25Å |
| 229 | D | 83.7 | Confident | 88.3 | Confident | 114 Ų | 114 | 54.9 Ų | 54.9 | 61% | 0.61 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -75.2 | 15.7 | 177.2 | -73.1 | -37.1 | 0 | 0 | 0 | 112.6 | Y162 Y257 | Y162-D229 WeakPolarHBondContact CE2-O 3.48Å; Y162-D229 VanDerWaalsContact CZ-O 3.27Å; Y162-D229 PolarHBondContact OH-O 3.16Å; D229-Y257 HydrophobicContact CB-CE2 4.08Å; D229-Y257 WeakPolarHBondContact O-CD2 3.31Å; D229-Y257 WeakPolarHBondContact O-CE2 3.33Å |
| 230 | T | 91.1 | Very high | 88.4 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 17% | 0.172 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -92.8 | 163.4 | -179.1 | 75.9 | 0 | 0 | 0 | 0 | 112.4 | K166 D228 V255 | K166-T230 PolarHBondContact NZ-O 2.73Å; D228-T230 VanDerWaalsContact CG-OG1 3.27Å; D228-T230 PolarHBondContact O-N 2.72Å; D228-T230 VanDerWaalsContact O-N 3.08Å; D228-T230 WeakPolarHBondContact OD1-CB 3.37Å; D228-T230 PolarHBondContact OD1-N 2.95Å; D228-T230 PolarHBondContact OD1-OG1 2.73Å; D228-T230 PolarHBondContact OD2-OG1 3.25Å; T230-V255 HydrophobicContact CG2-CG1 4.17Å |
| 231 | I | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 120.5 | 165.4 | -61.4 | -56.5 | 0 | 0 | 0 | 106.8 | Y162 M165 K166 L194 F233 V255 W256 | Y162-I231 HydrophobicContact CD2-CD1 4.06Å; Y162-I231 HydrophobicContact CD2-CG1 3.79Å; Y162-I231 HydrophobicContact CE2-CD1 4.09Å; Y162-I231 HydrophobicContact CE2-CG1 4.08Å; M165-I231 HydrophobicContact CB-CD1 3.61Å; M165-I231 HydrophobicContact CB-CG1 4.11Å; K166-I231 HydrophobicContact CD-CD1 3.52Å; K166-I231 HydrophobicContact CG-CD1 3.94Å; L194-I231 HydrophobicContact CD1-CG2 4.24Å; I231-F233 HydrophobicContact CG2-CD2 3.37Å; I231-F233 HydrophobicContact CG2-CE2 3.18Å; I231-F233 HydrophobicContact CG2-CZ 4.31Å; I231-V255 CarbonylContact O-C 3.56Å; I231-V255 WeakPolarHBondContact O-CA 3.28Å; I231-W256 HydrophobicContact CB-CE3 3.99Å; I231-W256 HydrophobicContact CG1-CE3 3.75Å; I231-W256 HydrophobicContact CG1-CZ3 4.08Å; I231-W256 PolarHBondContact N-O 3.42Å; I231-W256 PolarHBondContact O-N 2.82Å |
| 232 | D | 93.1 | Very high | 88.3 | Confident | 20 Ų | 20 | 57 Ų | 57 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 116.2 | -175.4 | -171.6 | -19.5 | 0 | 0 | 0 | 109.5 | Q223 W224 T226 H253 L254 V255 | Q223-D232 WeakPolarHBondContact CA-O 3.37Å; W224-D232 HydrophobicContact CB-CB 4.09Å; W224-D232 PolarHBondContact N-O 3.09Å; T226-D232 HydrophobicContact CG2-CB 3.43Å; T226-D232 VanDerWaalsContact CG2-CB 3.43Å; D232-H253 IonicContact OD1-CE1 3.93Å; D232-H253 PolarHBondContact OD1-CE1 2.94Å; D232-H253 IonicContact OD1-ND1 3.41Å; D232-H253 IonicContact OD1-NE2 3.53Å; D232-H253 IonicContact OD2-CE1 2.75Å; D232-L254 WeakPolarHBondContact CA-O 3.38Å; D232-V255 HydrophobicContact CB-CG2 4.46Å |
| 233 | F | 92.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 137.5 | -175.8 | -79 | -69.5 | 0 | 0 | 0 | 111.9 | M165 P171 L194 V221 R222 Q223 I231 Y235 H253 L254 | M165-F233 HydrophobicContact CE-CE2 3.3Å; M165-F233 HydrophobicContact CE-CZ 3.36Å; P171-F233 HydrophobicContact CB-CE1 4.27Å; P171-F233 HydrophobicContact CG-CD1 4.44Å; P171-F233 HydrophobicContact CG-CE1 3.59Å; P171-F233 HydrophobicContact CG-CZ 4.43Å; L194-F233 HydrophobicContact CD1-CE2 4.39Å; V221-F233 HydrophobicContact CG2-CD1 3.4Å; V221-F233 HydrophobicContact CG2-CE1 3.61Å; V221-F233 HydrophobicContact CG2-CG 4.32Å; R222-F233 CarbonylContact O-C 3.59Å; R222-F233 WeakPolarHBondContact O-CA 3.45Å; Q223-F233 HydrophobicContact CB-CD1 3.81Å; Q223-F233 HydrophobicContact CB-CE1 3.5Å; Q223-F233 VanDerWaalsContact CB-CE1 3.5Å; Q223-F233 HydrophobicContact CB-CZ 4.22Å; Q223-F233 HydrophobicContact CG-CD1 4.32Å; Q223-F233 HydrophobicContact CG-CE1 3.96Å; Q223-F233 HydrophobicContact CG-CZ 4.22Å; I231-F233 HydrophobicContact CG2-CD2 3.37Å; I231-F233 HydrophobicContact CG2-CE2 3.18Å; I231-F233 HydrophobicContact CG2-CZ 4.31Å; F233-Y235 HydrophobicContact CB-CD2 4.04Å; F233-Y235 HydrophobicContact CB-CE1 4.08Å; F233-Y235 HydrophobicContact CB-CE2 3.44Å; F233-Y235 VanDerWaalsContact CB-CE2 3.44Å; F233-Y235 VanDerWaalsContact CB-CZ 3.47Å; F233-Y235 HydrophobicContact CD1-CE1 4.4Å; F233-Y235 HydrophobicContact CD2-CE2 4.41Å; F233-Y235 AromaticContact CD2-CZ 3.86Å; F233-Y235 WeakPolarHBondContact CD2-OH 3.33Å; F233-Y235 HydrophobicContact CG-CE1 4.17Å; F233-Y235 HydrophobicContact CG-CE2 4.14Å; F233-Y235 AromaticContact CG-CZ 3.66Å; F233-Y235 WeakPolarHBondContact CG-OH 3.17Å; F233-H253 CarbonylContact O-C 3.49Å; F233-H253 WeakPolarHBondContact O-CA 3.27Å; F233-L254 PolarHBondContact N-O 3.1Å; F233-L254 PolarHBondContact O-N 2.81Å |
| 234 | D | 94.5 | Very high | 88.3 | Confident | 49 Ų | 49 | 54.2 Ų | 54.2 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 127.5 | 154.5 | -73.7 | -20.9 | 0 | 0 | 0 | 109.5 | V221 R222 W224 I252 H253 | V221-D234 CarbonylContact C-O 3.26Å; V221-D234 WeakPolarHBondContact CA-O 3.44Å; R222-D234 HydrophobicContact CB-CB 4.44Å; R222-D234 PolarHBondContact N-O 3.49Å; R222-D234 PolarHBondContact O-N 3.46Å; W224-D234 VanDerWaalsContact CE2-OD2 3.32Å; W224-D234 WeakPolarHBondContact CZ2-OD2 3.49Å; W224-D234 PolarHBondContact NE1-OD2 2.95Å; D234-I252 WeakPolarHBondContact CA-O 3.44Å; D234-H253 WeakPolarHBondContact OD1-CB 3.33Å; D234-H253 IonicContact OD1-CE1 2.81Å; D234-H253 IonicContact OD1-CG 3.75Å; D234-H253 IonicContact OD1-ND1 3.59Å; D234-H253 PolarHBondContact OD1-ND1 3.45Å |
| 235 | Y | 96.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 145.3 | 174 | -61.7 | -69.3 | 0 | 0 | 0 | 110.3 | I191 L194 A195 L218 S220 V221 F233 H251 I252 L254 | I191-Y235 HydrophobicContact CG2-CE1 3.78Å; L194-Y235 WeakPolarHBondContact CB-OH 3.4Å; A195-Y235 HydrophobicContact CB-CD1 4.08Å; A195-Y235 HydrophobicContact CB-CD2 4.47Å; A195-Y235 HydrophobicContact CB-CE1 4.04Å; A195-Y235 HydrophobicContact CB-CE2 4.44Å; A195-Y235 HydrophobicContact CB-CG 4.27Å; L218-Y235 HydrophobicContact CD1-CD1 3.6Å; L218-Y235 HydrophobicContact CD1-CG 4.15Å; L218-Y235 HydrophobicContact CD2-CD1 4.13Å; L218-Y235 HydrophobicContact CD2-CE1 4.32Å; S220-Y235 CarbonylContact O-C 3.59Å; S220-Y235 WeakPolarHBondContact O-CA 3.48Å; V221-Y235 HydrophobicContact CB-CD1 3.97Å; V221-Y235 HydrophobicContact CB-CE1 4.11Å; V221-Y235 HydrophobicContact CG2-CD1 3.77Å; V221-Y235 HydrophobicContact CG2-CE1 3.49Å; V221-Y235 VanDerWaalsContact CG2-CE1 3.49Å; F233-Y235 HydrophobicContact CB-CD2 4.04Å; F233-Y235 HydrophobicContact CB-CE1 4.08Å; F233-Y235 HydrophobicContact CB-CE2 3.44Å; F233-Y235 VanDerWaalsContact CB-CE2 3.44Å; F233-Y235 VanDerWaalsContact CB-CZ 3.47Å; F233-Y235 HydrophobicContact CD1-CE1 4.4Å; F233-Y235 HydrophobicContact CD2-CE2 4.41Å; F233-Y235 AromaticContact CD2-CZ 3.86Å; F233-Y235 WeakPolarHBondContact CD2-OH 3.33Å; F233-Y235 HydrophobicContact CG-CE1 4.17Å; F233-Y235 HydrophobicContact CG-CE2 4.14Å; F233-Y235 AromaticContact CG-CZ 3.66Å; F233-Y235 WeakPolarHBondContact CG-OH 3.17Å; Y235-H251 CarbonylContact O-C 3.19Å; Y235-H251 VanDerWaalsContact O-CA 3.31Å; Y235-H251 WeakPolarHBondContact O-CA 3.49Å; Y235-I252 PolarHBondContact N-O 2.86Å; Y235-I252 PolarHBondContact O-N 2.85Å; Y235-L254 HydrophobicContact CD2-CB 4.25Å; Y235-L254 HydrophobicContact CE2-CB 3.98Å; Y235-L254 HydrophobicContact CE2-CD1 4.48Å; Y235-L254 HydrophobicContact CE2-CD2 4.31Å; Y235-L254 HydrophobicContact CE2-CG 4.49Å |
| 236 | T | 96.6 | Very high | 89.7 | Confident | 27 Ų | 27 | 47.6 Ų | 47.6 | 17% | 0.166 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 110.4 | 157.9 | -54 | 0 | 0 | 0 | 0 | 107.8 | L218 T219 S220 C250 H251 | L218-T236 WeakPolarHBondContact CD1-O 3.35Å; T219-T236 PolarHBondContact N-O 3.06Å; T219-T236 WeakPolarHBondContact OG1-CG2 3.23Å; T219-T236 PolarHBondContact OG1-O 2.87Å; S220-T236 PolarHBondContact N-O 2.92Å; S220-T236 PolarHBondContact O-N 3Å; T236-C250 WeakPolarHBondContact CA-O 3.3Å; T236-H251 PolarHBondContact OG1-CE1 2.83Å; T236-H251 PolarHBondContact OG1-ND1 2.8Å |
| 237 | V | 97.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 153.9 | -179.5 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | L215 Q217 L218 L239 P249 C250 I252 | L215-V237 HydrophobicContact CD1-CB 3.55Å; L215-V237 HydrophobicContact CD1-CG1 3.85Å; L215-V237 HydrophobicContact CD1-CG2 4.27Å; Q217-V237 CarbonylContact O-C 3.52Å; Q217-V237 WeakPolarHBondContact O-CA 3.33Å; L218-V237 HydrophobicContact CD1-CG1 3.87Å; V237-L239 HydrophobicContact CG2-CD2 4.04Å; V237-L239 HydrophobicContact CG2-CG 4.26Å; V237-P249 CarbonylContact O-C 3.51Å; V237-P249 WeakPolarHBondContact O-CA 3.34Å; V237-C250 HydrophobicContact CG2-CB 3.82Å; V237-C250 PolarHBondContact N-O 2.82Å; V237-C250 PolarHBondContact O-N 2.9Å; V237-I252 HydrophobicContact CG1-CD1 4.33Å; V237-I252 HydrophobicContact CG2-CD1 3.49Å; V237-I252 VanDerWaalsContact CG2-CD1 3.49Å; V237-I252 HydrophobicContact CG2-CG1 4.08Å |
| 238 | L | 97.4 | Very high | 92.4 | Very high | 34 Ų | 34 | 41.4 Ų | 41.4 | 18% | 0.178 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 116.4 | 169.9 | -59 | -173.7 | 0 | 0 | 0 | 108.1 | A216 Q217 T219 I247 P249 | A216-L238 WeakPolarHBondContact CB-O 3.44Å; A216-L238 PolarHBondContact N-O 2.95Å; Q217-L238 HydrophobicContact CB-CB 4.24Å; Q217-L238 HydrophobicContact CB-CD1 4.18Å; Q217-L238 HydrophobicContact CB-CG 4.39Å; Q217-L238 PolarHBondContact N-O 3.37Å; Q217-L238 PolarHBondContact O-N 3.26Å; T219-L238 HydrophobicContact CG2-CD1 3.76Å; T219-L238 HydrophobicContact CG2-CD2 4.34Å; T219-L238 HydrophobicContact CG2-CG 3.78Å; L238-I247 HydrophobicContact CB-CG2 3.77Å; L238-I247 HydrophobicContact CD1-CG2 4.07Å; L238-I247 HydrophobicContact CD2-CG2 4.24Å; L238-I247 HydrophobicContact CG-CG2 4.24Å; L238-P249 HydrophobicContact CD2-CB 4.04Å; L238-P249 HydrophobicContact CD2-CG 4.06Å |
| 239 | L | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 128.7 | 173.3 | -58.9 | -173 | 0 | 0 | 0 | 109.4 | V202 M203 M206 Y214 L215 V237 I247 I248 | V202-L239 HydrophobicContact CB-CD1 4.43Å; V202-L239 HydrophobicContact CG1-CD1 3.73Å; M203-L239 HydrophobicContact CG-CD1 4.21Å; M203-L239 HydrophobicContact CG-CD2 4.25Å; M206-L239 HydrophobicContact SD-CD1 4.16Å; Y214-L239 CarbonylContact O-C 3.58Å; Y214-L239 VanDerWaalsContact O-CA 3.31Å; Y214-L239 WeakPolarHBondContact O-CA 3.4Å; L215-L239 HydrophobicContact CB-CD2 4.4Å; L215-L239 HydrophobicContact CD1-CD2 4.15Å; V237-L239 HydrophobicContact CG2-CD2 4.04Å; V237-L239 HydrophobicContact CG2-CG 4.26Å; L239-I247 CarbonylContact O-C 3.58Å; L239-I247 WeakPolarHBondContact O-CA 3.38Å; L239-I248 PolarHBondContact N-O 2.8Å; L239-I248 PolarHBondContact O-N 3.2Å |
| 240 | H | 96 | Very high | 94.3 | Very high | 43 Ų | 43 | 34.1 Ų | 34.1 | 20% | 0.199 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 113.4 | 173.9 | -175.9 | -172.6 | 0 | 0 | 0 | 109.8 | Y213 Y214 A216 L242 Q245 E246 I247 | Y213-H240 CarbonylContact C-O 3.59Å; Y213-H240 VanDerWaalsContact CA-O 3.3Å; Y213-H240 WeakPolarHBondContact CA-O 3.3Å; Y214-H240 PolarHBondContact N-O 2.98Å; Y214-H240 PolarHBondContact O-N 2.04Å; A216-H240 HydrophobicContact CB-CB 4.13Å; H240-L242 VanDerWaalsContact CE1-CD2 3.4Å; H240-L242 WeakPolarHBondContact CE1-CD2 3.46Å; H240-L242 PolarHBondContact O-N 2.85Å; H240-Q245 PolarHBondContact CE1-OE1 3.23Å; H240-Q245 PolarHBondContact NE2-OE1 2.8Å; H240-Q245 VanDerWaalsContact NE2-OE1 3.11Å; H240-E246 CarbonylContact C-O 3.58Å; H240-E246 WeakPolarHBondContact CA-O 3.07Å; H240-E246 PolarHBondContact CD2-O 3Å; H240-I247 HydrophobicContact CB-CD1 3.71Å |
| 241 | E | 94.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 8% | 0.075 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 102.3 | 167.6 | -168.9 | -178 | 173.2 | 0 | 0 | 109.9 | S211 H212 Y213 S243 T244 Q245 E246 I248 | S211-E241 WeakPolarHBondContact CA-OE1 3.47Å; S211-E241 WeakPolarHBondContact CB-OE1 3.47Å; H212-E241 CarbonylContact O-C 3.47Å; H212-E241 WeakPolarHBondContact O-CA 3.34Å; Y213-E241 HydrophobicContact CD1-CB 3.81Å; Y213-E241 HydrophobicContact CD1-CG 4.05Å; Y213-E241 HydrophobicContact CE1-CB 3.63Å; Y213-E241 HydrophobicContact CE1-CG 3.66Å; E241-S243 PolarHBondContact O-N 2.97Å; E241-S243 VanDerWaalsContact O-N 3.14Å; E241-T244 PolarHBondContact O-N 3.46Å; E241-T244 PolarHBondContact OE2-OG1 2.86Å; E241-Q245 VanDerWaalsContact O-CA 3.23Å; E241-Q245 WeakPolarHBondContact O-CA 3.46Å; E241-Q245 PolarHBondContact O-N 2.71Å; E241-E246 PolarHBondContact N-O 3.31Å; E241-E246 PolarHBondContact O-N 3Å; E241-I248 HydrophobicContact CB-CD1 4.18Å |
| 242 | L | 89.6 | Confident | 94.9 | Very high | 57 Ų | 57 | 37.9 Ų | 37.9 | 30% | 0.298 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -16 | -175.2 | -75.2 | 174.8 | 0 | 0 | 0 | 114.7 | H212 Y214 H240 Q245 | H212-L242 VanDerWaalsContact CE1-CD1 3.49Å; H212-L242 WeakPolarHBondContact CE1-CD1 3.33Å; H212-L242 PolarHBondContact O-N 3.2Å; Y214-L242 HydrophobicContact CD2-CD1 3.38Å; Y214-L242 HydrophobicContact CD2-CG 4.17Å; Y214-L242 HydrophobicContact CE2-CD1 3.38Å; H240-L242 VanDerWaalsContact CE1-CD2 3.4Å; H240-L242 WeakPolarHBondContact CE1-CD2 3.46Å; H240-L242 PolarHBondContact O-N 2.85Å; L242-Q245 PolarHBondContact O-NE2 3.46Å |
| 243 | S | 88.6 | Confident | 95.1 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 34% | 0.336 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -35.9 | -178.9 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | R57 V210 E241 | R57-S243 PolarHBondContact NH2-OG 2.78Å; R57-S243 VanDerWaalsContact NH2-OG 3.09Å; V210-S243 PolarHBondContact O-OG 2.82Å; E241-S243 PolarHBondContact O-N 2.97Å; E241-S243 VanDerWaalsContact O-N 3.14Å |
| 244 | T | 91.1 | Very high | 95.3 | Very high | 74 Ų | 74 | 39.1 Ų | 39.1 | 45% | 0.454 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -10.1 | 176.6 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | E241 E246 | E241-T244 PolarHBondContact O-N 3.46Å; E241-T244 PolarHBondContact OE2-OG1 2.86Å; T244-E246 VanDerWaalsContact CB-OE2 3.23Å; T244-E246 WeakPolarHBondContact CB-OE2 3.21Å; T244-E246 PolarHBondContact O-N 2.89Å; T244-E246 WeakPolarHBondContact OG1-CB 3.46Å; T244-E246 WeakPolarHBondContact OG1-CG 3.25Å; T244-E246 PolarHBondContact OG1-OE2 2.89Å |
| 245 | Q | 93.2 | Very high | 95.3 | Very high | 121 Ų | 121 | 38 Ų | 38 | 57% | 0.565 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 23.4 | -171.3 | -61.2 | -67.1 | -45.4 | 0 | 0 | 113.7 | H240 E241 L242 | H240-Q245 PolarHBondContact CE1-OE1 3.23Å; H240-Q245 PolarHBondContact NE2-OE1 2.8Å; H240-Q245 VanDerWaalsContact NE2-OE1 3.11Å; E241-Q245 VanDerWaalsContact O-CA 3.23Å; E241-Q245 WeakPolarHBondContact O-CA 3.46Å; E241-Q245 PolarHBondContact O-N 2.71Å; L242-Q245 PolarHBondContact O-NE2 3.46Å |
| 246 | E | 93.4 | Very high | 95.3 | Very high | 70 Ų | 70 | 38 Ų | 38 | 33% | 0.327 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 145.8 | -178.5 | -69.2 | 169.5 | 140.8 | 0 | 0 | 112.2 | H240 E241 T244 L271 | H240-E246 CarbonylContact C-O 3.58Å; H240-E246 WeakPolarHBondContact CA-O 3.07Å; H240-E246 PolarHBondContact CD2-O 3Å; E241-E246 PolarHBondContact N-O 3.31Å; E241-E246 PolarHBondContact O-N 3Å; T244-E246 VanDerWaalsContact CB-OE2 3.23Å; T244-E246 WeakPolarHBondContact CB-OE2 3.21Å; T244-E246 PolarHBondContact O-N 2.89Å; T244-E246 WeakPolarHBondContact OG1-CB 3.46Å; T244-E246 WeakPolarHBondContact OG1-CG 3.25Å; T244-E246 PolarHBondContact OG1-OE2 2.89Å; E246-L271 HydrophobicContact CB-CD2 4.12Å; E246-L271 HydrophobicContact CG-CD2 4.24Å; E246-L271 WeakPolarHBondContact OE2-CD1 3.03Å |
| 247 | I | 95.5 | Very high | 95.2 | Very high | 86 Ų | 86 | 40.1 Ų | 40.1 | 44% | 0.441 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 115.7 | 172.3 | -57.7 | -60.6 | 0 | 0 | 0 | 108.1 | L238 L239 H240 | L238-I247 HydrophobicContact CB-CG2 3.77Å; L238-I247 HydrophobicContact CD1-CG2 4.07Å; L238-I247 HydrophobicContact CD2-CG2 4.24Å; L238-I247 HydrophobicContact CG-CG2 4.24Å; L239-I247 CarbonylContact O-C 3.58Å; L239-I247 WeakPolarHBondContact O-CA 3.38Å; H240-I247 HydrophobicContact CB-CD1 3.71Å |
| 248 | I | 96.1 | Very high | 95.1 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 112.8 | -173.4 | -55.9 | 167.2 | 0 | 0 | 0 | 108.9 | M206 Y213 L239 E241 C268 L271 | M206-I248 HydrophobicContact CE-CD1 4.18Å; M206-I248 HydrophobicContact CE-CG2 4.45Å; Y213-I248 HydrophobicContact CD1-CD1 4.4Å; Y213-I248 HydrophobicContact CE1-CD1 3.75Å; L239-I248 PolarHBondContact N-O 2.8Å; L239-I248 PolarHBondContact O-N 3.2Å; E241-I248 HydrophobicContact CB-CD1 4.18Å; I248-C268 HydrophobicContact CG2-CB 4.04Å; I248-L271 HydrophobicContact CD1-CD1 4Å; I248-L271 HydrophobicContact CD1-CG 4.36Å; I248-L271 HydrophobicContact CG1-CD1 4.44Å; I248-L271 HydrophobicContact CG1-CD2 4.05Å; I248-L271 HydrophobicContact CG1-CG 4.34Å |
| 249 | P | 96.9 | Very high | 94.7 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 25% | 0.253 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 131.5 | 171.5 | -18.1 | 32.2 | 0 | 0 | 0 | 111 | V237 L238 C268 Q269 | V237-P249 CarbonylContact O-C 3.51Å; V237-P249 WeakPolarHBondContact O-CA 3.34Å; L238-P249 HydrophobicContact CD2-CB 4.04Å; L238-P249 HydrophobicContact CD2-CG 4.06Å; P249-C268 WeakPolarHBondContact O-CA 3.27Å; P249-Q269 PolarHBondContact O-N 3.03Å |
| 250 | C | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 129.4 | 176.1 | -62.4 | 0 | 0 | 0 | 0 | 110.9 | T236 V237 I252 H267 C268 | T236-C250 WeakPolarHBondContact CA-O 3.3Å; V237-C250 HydrophobicContact CG2-CB 3.82Å; V237-C250 PolarHBondContact N-O 2.82Å; V237-C250 PolarHBondContact O-N 2.9Å; C250-I252 HydrophobicContact CB-CG1 4.42Å; C250-H267 CarbonylContact C-O 3.53Å; C250-H267 WeakPolarHBondContact CA-O 3.47Å; C250-C268 HydrophobicContact CB-CB 4.09Å; C250-C268 WeakPolarHBondContact CB-SG 3.47Å; C250-C268 WeakPolarHBondContact SG-CB 3.35Å; C250-C268 CovalentContact SG-SG 2.04Å; C250-C268 PolarHBondContact SG-SG 3.16Å |
| 251 | H | 97.5 | Very high | 94.4 | Very high | 104 Ų | 104 | 52.1 Ų | 52.1 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 125.7 | 167 | -62.3 | -69.9 | 0 | 0 | 0 | 109.1 | Y235 T236 Y266 H267 | Y235-H251 CarbonylContact O-C 3.19Å; Y235-H251 VanDerWaalsContact O-CA 3.31Å; Y235-H251 WeakPolarHBondContact O-CA 3.49Å; T236-H251 PolarHBondContact OG1-CE1 2.83Å; T236-H251 PolarHBondContact OG1-ND1 2.8Å; H251-Y266 CarbonylContact O-C 3.44Å; H251-Y266 WeakPolarHBondContact O-CA 3.4Å; H251-Y266 WeakPolarHBondContact O-CB 3.19Å; H251-H267 PolarHBondContact N-O 2.77Å; H251-H267 PolarHBondContact O-N 2.93Å |
| 252 | I | 97.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 116.4 | -177.5 | -55.3 | -179 | 0 | 0 | 0 | 109.1 | V202 D234 Y235 V237 C250 V264 K265 | V202-I252 HydrophobicContact CB-CD1 4.35Å; V202-I252 HydrophobicContact CG2-CD1 3.59Å; V202-I252 HydrophobicContact CG2-CG1 3.94Å; D234-I252 WeakPolarHBondContact CA-O 3.44Å; Y235-I252 PolarHBondContact N-O 2.86Å; Y235-I252 PolarHBondContact O-N 2.85Å; V237-I252 HydrophobicContact CG1-CD1 4.33Å; V237-I252 HydrophobicContact CG2-CD1 3.49Å; V237-I252 VanDerWaalsContact CG2-CD1 3.49Å; V237-I252 HydrophobicContact CG2-CG1 4.08Å; C250-I252 HydrophobicContact CB-CG1 4.42Å; I252-V264 HydrophobicContact CG2-CG1 3.62Å; I252-K265 CarbonylContact C-O 3.58Å; I252-K265 WeakPolarHBondContact CA-O 3.36Å |
| 253 | H | 97.3 | Very high | 94.7 | Very high | 47 Ų | 47 | 56.2 Ų | 56.2 | 22% | 0.218 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 119.4 | 168.4 | 179.8 | 78 | 0 | 0 | 0 | 109.4 | D232 F233 D234 V264 K265 | D232-H253 IonicContact OD1-CE1 3.93Å; D232-H253 PolarHBondContact OD1-CE1 2.94Å; D232-H253 IonicContact OD1-ND1 3.41Å; D232-H253 IonicContact OD1-NE2 3.53Å; D232-H253 IonicContact OD2-CE1 2.75Å; F233-H253 CarbonylContact O-C 3.49Å; F233-H253 WeakPolarHBondContact O-CA 3.27Å; D234-H253 WeakPolarHBondContact OD1-CB 3.33Å; D234-H253 IonicContact OD1-CE1 2.81Å; D234-H253 IonicContact OD1-CG 3.75Å; D234-H253 IonicContact OD1-ND1 3.59Å; D234-H253 PolarHBondContact OD1-ND1 3.45Å; H253-V264 WeakPolarHBondContact O-CA 3.28Å; H253-K265 HydrophobicContact CB-CB 4.29Å; H253-K265 PolarHBondContact N-O 3.18Å; H253-K265 PolarHBondContact O-N 2.82Å |
| 254 | L | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 124 | -172.7 | 179.1 | 139.2 | 0 | 0 | 0 | 110.8 | L194 D232 F233 Y235 W256 L262 K263 V264 | L194-L254 HydrophobicContact CD2-CD2 4.37Å; L194-L254 WeakPolarHBondContact O-CD1 3.28Å; D232-L254 WeakPolarHBondContact CA-O 3.38Å; F233-L254 PolarHBondContact N-O 3.1Å; F233-L254 PolarHBondContact O-N 2.81Å; Y235-L254 HydrophobicContact CD2-CB 4.25Å; Y235-L254 HydrophobicContact CE2-CB 3.98Å; Y235-L254 HydrophobicContact CE2-CD1 4.48Å; Y235-L254 HydrophobicContact CE2-CD2 4.31Å; Y235-L254 HydrophobicContact CE2-CG 4.49Å; L254-W256 HydrophobicContact CD2-CB 3.86Å; L254-L262 HydrophobicContact CD1-CD1 3.91Å; L254-L262 HydrophobicContact CD1-CD2 4.1Å; L254-L262 HydrophobicContact CD1-CG 4.34Å; L254-L262 HydrophobicContact CD2-CD1 4.22Å; L254-L262 HydrophobicContact CG-CD1 3.95Å; L254-K263 WeakPolarHBondContact CA-O 3.48Å; L254-V264 HydrophobicContact CD1-CG2 4.5Å |
| 255 | V | 95.6 | Very high | 95.5 | Very high | 24 Ų | 24 | 58.9 Ų | 58.9 | 15% | 0.145 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.9 | 171 | -175 | 0 | 0 | 0 | 0 | 109.6 | T230 I231 D232 K263 | T230-V255 HydrophobicContact CG2-CG1 4.17Å; I231-V255 CarbonylContact O-C 3.56Å; I231-V255 WeakPolarHBondContact O-CA 3.28Å; D232-V255 HydrophobicContact CB-CG2 4.46Å; V255-K263 HydrophobicContact CB-CB 4.21Å; V255-K263 PolarHBondContact N-O 3.05Å; V255-K263 PolarHBondContact O-N 2.83Å; V255-K263 VanDerWaalsContact O-N 3.11Å |
| 256 | W | 95.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 142.4 | -174.6 | 178.6 | 74.7 | 0 | 0 | 0 | 112.9 | G75 P77 D158 L161 Y162 L194 I231 L254 P258 L262 | G75-W256 PolarHBondContact O-NE1 2.88Å; P77-W256 HydrophobicContact CG-CZ2 4.16Å; D158-W256 HydrophobicContact CB-CZ2 4.21Å; D158-W256 WeakPolarHBondContact O-CH2 3.49Å; L161-W256 HydrophobicContact CB-CH2 4.45Å; L161-W256 HydrophobicContact CD2-CH2 4.18Å; L161-W256 HydrophobicContact CG-CH2 4.39Å; Y162-W256 HydrophobicContact CD2-CZ3 4.31Å; L194-W256 HydrophobicContact CD1-CE3 4.37Å; L194-W256 HydrophobicContact CD2-CB 4.27Å; L194-W256 HydrophobicContact CD2-CD2 3.77Å; L194-W256 HydrophobicContact CD2-CE3 3.99Å; L194-W256 HydrophobicContact CD2-CG 3.89Å; I231-W256 HydrophobicContact CB-CE3 3.99Å; I231-W256 HydrophobicContact CG1-CE3 3.75Å; I231-W256 HydrophobicContact CG1-CZ3 4.08Å; I231-W256 PolarHBondContact N-O 3.42Å; I231-W256 PolarHBondContact O-N 2.82Å; L254-W256 HydrophobicContact CD2-CB 3.86Å; W256-P258 HydrophobicContact CH2-CG 3.81Å; W256-P258 HydrophobicContact CZ2-CG 3.98Å; W256-P258 HydrophobicContact CZ3-CG 4.37Å; W256-L262 HydrophobicContact CB-CD1 3.79Å; W256-L262 HydrophobicContact CG-CD1 4.08Å |
| 257 | Y | 94.7 | Very high | 95.9 | Very high | 73 Ų | 73 | 59.4 Ų | 59.4 | 29% | 0.286 | 30% | 0.302 | S | S | . | . | trans | -147.8 | 138.6 | 168.2 | -176.9 | -89.7 | 0 | 0 | 0 | 109.1 | Y162 D229 G259 K260 | Y162-Y257 HydrophobicContact CE1-CE2 4.38Å; Y162-Y257 HydrophobicContact CE2-CD2 4.1Å; Y162-Y257 HydrophobicContact CE2-CE2 4.21Å; D229-Y257 HydrophobicContact CB-CE2 4.08Å; D229-Y257 WeakPolarHBondContact O-CD2 3.31Å; D229-Y257 WeakPolarHBondContact O-CE2 3.33Å; Y257-G259 PolarHBondContact O-N 2.85Å; Y257-K260 HydrophobicContact CD1-CB 4.46Å; Y257-K260 HydrophobicContact CD1-CG 3.64Å; Y257-K260 HydrophobicContact CG-CG 4.31Å; Y257-K260 PolarHBondContact O-N 2.86Å | ||
| 258 | P | 94.3 | Very high | 95.9 | Very high | 20 Ų | 20 | 56 Ų | 56 | 13% | 0.13 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 123.9 | -179.4 | -29.7 | 35.3 | 0 | 0 | 0 | 113.8 | D158 Y162 W256 K260 | D158-P258 HydrophobicContact CB-CB 4.2Å; Y162-P258 VanDerWaalsContact CB-CG 3.41Å; Y162-P258 HydrophobicContact CD1-CG 4.49Å; Y162-P258 HydrophobicContact CD2-CG 4.32Å; Y162-P258 HydrophobicContact CG-CG 3.83Å; W256-P258 HydrophobicContact CH2-CG 3.81Å; W256-P258 HydrophobicContact CZ2-CG 3.98Å; W256-P258 HydrophobicContact CZ3-CG 4.37Å; P258-K260 VanDerWaalsContact C-N 3.25Å; P258-K260 PolarHBondContact O-N 2.86Å |
| 259 | G | 90.7 | Very high | 95.7 | Very high | 66 Ų | 66 | 62 Ų | 62 | 68% | 0.68 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 3.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y257 | Y257-G259 PolarHBondContact O-N 2.85Š|
| 260 | K | 92.9 | Very high | 94.7 | Very high | 132 Ų | 132 | 68.3 Ų | 68.3 | 57% | 0.574 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -99.5 | 153.5 | 169.9 | -62.6 | -70.3 | -177.8 | 178 | 0 | 110.1 | Y257 P258 L262 | Y257-K260 HydrophobicContact CD1-CB 4.46Å; Y257-K260 HydrophobicContact CD1-CG 3.64Å; Y257-K260 HydrophobicContact CG-CG 4.31Å; Y257-K260 PolarHBondContact O-N 2.86Å; P258-K260 VanDerWaalsContact C-N 3.25Å; P258-K260 PolarHBondContact O-N 2.86Å; K260-L262 PolarHBondContact O-N 2.83Å |
| 261 | P | 92.9 | Very high | 93.1 | Very high | 111 Ų | 111 | 72.1 Ų | 72.1 | 72% | 0.721 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 136.8 | 173.1 | -23.4 | 34.2 | 0 | 0 | 0 | 111.3 | ||
| 262 | L | 94.8 | Very high | 90.5 | Very high | 12 Ų | 12 | 75.9 Ų | 75.9 | 6% | 0.063 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 134.8 | 174.6 | -168.7 | 73.7 | 0 | 0 | 0 | 109.8 | F72 L197 L254 W256 K260 V264 | F72-L262 HydrophobicContact CD2-CD2 4.18Å; F72-L262 HydrophobicContact CE2-CB 4.44Å; L197-L262 HydrophobicContact CD2-CD1 4.18Å; L197-L262 HydrophobicContact CD2-CD2 4.19Å; L197-L262 HydrophobicContact CG-CD2 3.86Å; L254-L262 HydrophobicContact CD1-CD1 3.91Å; L254-L262 HydrophobicContact CD1-CD2 4.1Å; L254-L262 HydrophobicContact CD1-CG 4.34Å; L254-L262 HydrophobicContact CD2-CD1 4.22Å; L254-L262 HydrophobicContact CG-CD1 3.95Å; W256-L262 HydrophobicContact CB-CD1 3.79Å; W256-L262 HydrophobicContact CG-CD1 4.08Å; K260-L262 PolarHBondContact O-N 2.83Å; L262-V264 HydrophobicContact CD2-CG2 3.56Å; L262-V264 HydrophobicContact CG-CG2 3.78Å |
| 263 | K | 96.1 | Very high | 87.8 | Confident | 147 Ų | 147 | 81.6 Ų | 81.6 | 64% | 0.639 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.4 | 170.7 | -61 | 176.2 | -177.9 | 175.3 | 0 | 108.5 | L254 V255 | L254-K263 WeakPolarHBondContact CA-O 3.48Å; V255-K263 HydrophobicContact CB-CB 4.21Å; V255-K263 PolarHBondContact N-O 3.05Å; V255-K263 PolarHBondContact O-N 2.83Å; V255-K263 VanDerWaalsContact O-N 3.11Å |
| 264 | V | 97.8 | Very high | 85 | Confident | 21 Ų | 21 | 85.1 Ų | 85.1 | 13% | 0.127 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 131.3 | -179.4 | -173.4 | 0 | 0 | 0 | 0 | 108.4 | Y201 V202 I252 H253 L254 L262 | Y201-V264 HydrophobicContact CD1-CB 3.71Å; Y201-V264 HydrophobicContact CD1-CG1 3.59Å; Y201-V264 HydrophobicContact CD1-CG2 4.48Å; Y201-V264 HydrophobicContact CE1-CB 4.31Å; Y201-V264 HydrophobicContact CE1-CG1 4.33Å; Y201-V264 HydrophobicContact CG-CB 3.94Å; Y201-V264 HydrophobicContact CG-CG1 4.15Å; Y201-V264 HydrophobicContact CG-CG2 4.26Å; V202-V264 HydrophobicContact CG2-CG1 4.48Å; I252-V264 HydrophobicContact CG2-CG1 3.62Å; H253-V264 WeakPolarHBondContact O-CA 3.28Å; L254-V264 HydrophobicContact CD1-CG2 4.5Å; L262-V264 HydrophobicContact CD2-CG2 3.56Å; L262-V264 HydrophobicContact CG-CG2 3.78Å |
| 265 | K | 97.8 | Very high | 82.1 | Confident | 157 Ų | 157 | 93.8 Ų | 93.8 | 68% | 0.683 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 147 | 161.6 | -62.9 | 179.4 | -179.8 | 176.7 | 0 | 107.2 | I252 H253 | I252-K265 CarbonylContact C-O 3.58Å; I252-K265 WeakPolarHBondContact CA-O 3.36Å; H253-K265 HydrophobicContact CB-CB 4.29Å; H253-K265 PolarHBondContact N-O 3.18Å; H253-K265 PolarHBondContact O-N 2.82Å |
| 266 | Y | 98 | Very high | 79.3 | Confident | 76 Ų | 76 | 101.3 Ų | 101.3 | 30% | 0.298 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 161.1 | -179.7 | 76.7 | -73.2 | 0 | 0 | 0 | 111.8 | Y201 V202 E205 M206 H251 | Y201-Y266 HydrophobicContact CD1-CD1 4.24Å; Y201-Y266 HydrophobicContact CD1-CE1 4.5Å; Y201-Y266 AromaticContact CE1-CD1 3.83Å; Y201-Y266 HydrophobicContact CE1-CD1 3.83Å; Y201-Y266 AromaticContact CE1-CE1 3.84Å; Y201-Y266 HydrophobicContact CE1-CE1 3.84Å; V202-Y266 HydrophobicContact CB-CD2 4.34Å; V202-Y266 HydrophobicContact CB-CG 4.42Å; V202-Y266 HydrophobicContact CG1-CD2 3.57Å; V202-Y266 HydrophobicContact CG1-CE2 3.78Å; V202-Y266 HydrophobicContact CG1-CG 4.12Å; V202-Y266 HydrophobicContact CG2-CD1 4.01Å; V202-Y266 HydrophobicContact CG2-CD2 3.93Å; V202-Y266 HydrophobicContact CG2-CG 3.57Å; E205-Y266 VanDerWaalsContact CD-OH 3.26Å; E205-Y266 HydrophobicContact CG-CE1 4.38Å; E205-Y266 VanDerWaalsContact CG-OH 3.25Å; E205-Y266 WeakPolarHBondContact CG-OH 3.4Å; E205-Y266 WeakPolarHBondContact OE2-CE1 3.14Å; E205-Y266 PolarHBondContact OE2-OH 2.99Å; M206-Y266 HydrophobicContact CG-CE2 4.43Å; M206-Y266 HydrophobicContact SD-CE2 4.49Å; H251-Y266 CarbonylContact O-C 3.44Å; H251-Y266 WeakPolarHBondContact O-CA 3.4Å; H251-Y266 WeakPolarHBondContact O-CB 3.19Å |
| 267 | H | 97.1 | Very high | 76.5 | Confident | 125 Ų | 125 | 106 Ų | 106 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -142.7 | 126 | 168.4 | 176.6 | 67.2 | 0 | 0 | 0 | 107.6 | C250 H251 | C250-H267 CarbonylContact C-O 3.53Å; C250-H267 WeakPolarHBondContact CA-O 3.47Å; H251-H267 PolarHBondContact N-O 2.77Å; H251-H267 PolarHBondContact O-N 2.93Å |
| 268 | C | 96 | Very high | 74.3 | Confident | 15 Ų | 15 | 107.7 Ų | 107.7 | 10% | 0.101 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 146.2 | 174.4 | -62.7 | 0 | 0 | 0 | 0 | 109 | M206 I248 P249 C250 E270 | M206-C268 HydrophobicContact CE-CB 4.38Å; M206-C268 HydrophobicContact SD-CB 4.36Å; M206-C268 PolarHBondContact SD-SG 3.23Å; I248-C268 HydrophobicContact CG2-CB 4.04Å; P249-C268 WeakPolarHBondContact O-CA 3.27Å; C250-C268 HydrophobicContact CB-CB 4.09Å; C250-C268 WeakPolarHBondContact CB-SG 3.47Å; C250-C268 WeakPolarHBondContact SG-CB 3.35Å; C250-C268 CovalentContact SG-SG 2.04Å; C250-C268 PolarHBondContact SG-SG 3.16Å; C268-E270 PolarHBondContact O-N 2.97Å |
| 269 | Q | 91.4 | Very high | 71.5 | Confident | 128 Ų | 128 | 110 Ų | 110 | 60% | 0.598 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -62 | 127.6 | 172.6 | -171.2 | 171.3 | -0.7 | 0 | 0 | 109.1 | P249 L271 | P249-Q269 PolarHBondContact O-N 3.03Å; Q269-L271 PolarHBondContact O-N 2.93Å |
| 270 | E | 77.1 | Confident | 69.4 | Low | 172 Ų | 172 | 113 Ų | 113 | 80% | 0.804 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -66 | 132 | 174.6 | -75 | 176.9 | 177.9 | 0 | 0 | 109.5 | C268 Q272 | C268-E270 PolarHBondContact O-N 2.97Å; E270-Q272 PolarHBondContact O-N 3.1Å |
| 271 | L | 62.6 | Low | 66.9 | Low | 80 Ų | 80 | 115.5 Ų | 115.5 | 42% | 0.419 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 118 | 169.5 | -69.1 | 165.7 | 0 | 0 | 0 | 107.2 | E246 I248 Q269 T273 | E246-L271 HydrophobicContact CB-CD2 4.12Å; E246-L271 HydrophobicContact CG-CD2 4.24Å; E246-L271 WeakPolarHBondContact OE2-CD1 3.03Å; I248-L271 HydrophobicContact CD1-CD1 4Å; I248-L271 HydrophobicContact CD1-CG 4.36Å; I248-L271 HydrophobicContact CG1-CD1 4.44Å; I248-L271 HydrophobicContact CG1-CD2 4.05Å; I248-L271 HydrophobicContact CG1-CG 4.34Å; Q269-L271 PolarHBondContact O-N 2.93Å; L271-T273 PolarHBondContact O-N 3.39Å |
| 272 | Q | 43.7 | Very low | 64.1 | Low | 184 Ų | 184 | 119.9 Ų | 119.9 | 86% | 0.86 | 63% | 0.633 | S | S | * | * | trans | -65.9 | 105.6 | 168.2 | -68.6 | -172.4 | -1.2 | 0 | 0 | 107.1 | E270 P274 | E270-Q272 PolarHBondContact O-N 3.1Å; Q272-P274 WeakPolarHBondContact O-CD 3.2Å | ||
| 273 | T | 42.2 | Very low | 61.3 | Low | 121 Ų | 121 | 122.9 Ų | 122.9 | 74% | 0.742 | 67% | 0.667 | S | S | * | * | trans | -58 | 125.4 | 157.2 | 38.7 | 0 | 0 | 0 | 0 | 106.4 | L271 E275 | L271-T273 PolarHBondContact O-N 3.39Å; T273-E275 PolarHBondContact O-N 3.31Å | ||
| 274 | P | 38.1 | Very low | 58.5 | Low | 121 Ų | 121 | 121.3 Ų | 121.3 | 79% | 0.786 | 68% | 0.675 | S | S | * | * | trans | -55.7 | 112.9 | 170.2 | -17.5 | 28.7 | 0 | 0 | 0 | 106.6 | Q272 E276 | Q272-P274 WeakPolarHBondContact O-CD 3.2Å; P274-E276 PolarHBondContact O-N 3.5Å; P274-E276 VanDerWaalsContact O-N 3.11Å | ||
| 275 | E | 35.8 | Very low | 55.5 | Low | 182 Ų | 182 | 125.4 Ų | 125.4 | 85% | 0.85 | 71% | 0.711 | S | S | * | * | trans | -51.2 | 122.4 | 160.5 | -83.3 | 179.4 | 147.6 | 0 | 0 | 105.2 | T273 A277 | T273-E275 PolarHBondContact O-N 3.31Å; E275-A277 PolarHBondContact O-N 3.47Å | ||
| 276 | E | 36.3 | Very low | 52.7 | Low | 183 Ų | 183 | 123.7 Ų | 123.7 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | trans | -45.6 | 111.1 | 170.3 | -70.7 | 178.8 | 155 | 0 | 0 | 106.3 | P274 S278 | P274-E276 PolarHBondContact O-N 3.5Å; P274-E276 VanDerWaalsContact O-N 3.11Å; E276-S278 PolarHBondContact O-N 3.42Å | ||
| 277 | A | 37.4 | Very low | 49.9 | Very low | 100 Ų | 100 | 126 Ų | 126 | 83% | 0.826 | 74% | 0.737 | S | S | * | * | trans | -63.4 | 87.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | E275 G279 | E275-A277 PolarHBondContact O-N 3.47Å; A277-G279 PolarHBondContact O-N 3.32Å | ||
| 278 | S | 47.3 | Very low | 47 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -76.5 | 57.5 | 164.6 | 80 | 0 | 0 | 0 | 0 | 108.1 | E276 T280 | E276-S278 PolarHBondContact O-N 3.42Å; S278-T280 PolarHBondContact O-N 3.38Å; S278-T280 VanDerWaalsContact O-N 3.14Å | ||
| 279 | G | 36.3 | Very low | 44.3 | Very low | 69 Ų | 69 | 134.7 Ų | 134.7 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -80.3 | 78.5 | 165 | 0 | 0 | 0 | 0 | 0 | 107.9 | A277 E281 | A277-G279 PolarHBondContact O-N 3.32Å; G279-E281 VanDerWaalsContact C-N 3.34Å; G279-E281 PolarHBondContact O-N 3.34Å | ||
| 280 | T | 45.2 | Very low | 41.8 | Very low | 129 Ų | 129 | 137 Ų | 137 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -77.9 | 92.7 | 163.7 | -38.7 | 0 | 0 | 0 | 0 | 105.9 | S278 | S278-T280 PolarHBondContact O-N 3.38Å; S278-T280 VanDerWaalsContact O-N 3.14Å | ||
| 281 | E | 41.7 | Very low | 39.6 | Very low | 184 Ų | 184 | 134 Ų | 134 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -173 | 106.7 | 160 | -110.7 | 174 | -153.6 | 0 | 0 | 109.6 | G279 | G279-E281 VanDerWaalsContact C-N 3.34Å; G279-E281 PolarHBondContact O-N 3.34Å | ||
| 282 | E | 34.1 | Very low | 38.5 | Very low | 204 Ų | 204 | 137.9 Ų | 137.9 | 95% | 0.953 | 82% | 0.821 | S | S | * | * | trans | -167.1 | 95 | 133.9 | -110.3 | 177 | 179.9 | 0 | 0 | 109.5 | ||||
| 283 | G | 35.7 | Very low | 38.4 | Very low | 74 Ų | 74 | 142.8 Ų | 142.8 | 76% | 0.763 | 84% | 0.84 | S | S | * | * | trans | -137.1 | 79.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 284 | S | 37.2 | Very low | 38.2 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | trans | 179 | 98 | 145.9 | -89.7 | 0 | 0 | 0 | 0 | 110.5 | V286 | S284-V286 PolarHBondContact O-N 3.46Š| ||
| 285 | A | 34.9 | Very low | 38.2 | Very low | 107 Ų | 107 | 145.1 Ų | 145.1 | 88% | 0.884 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 117.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 286 | V | 39 | Very low | 38.3 | Very low | 121 Ų | 121 | 143 Ų | 143 | 73% | 0.733 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 126.4 | 160.7 | -171.2 | 0 | 0 | 0 | 0 | 106.6 | S284 T288 | S284-V286 PolarHBondContact O-N 3.46Å; V286-T288 PolarHBondContact O-N 3.2Å |
| 287 | P | 38.7 | Very low | 38.5 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 80% | 0.799 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 120.4 | 178 | 5.5 | 10.3 | 0 | 0 | 0 | 109.5 | ||
| 288 | T | 37.1 | Very low | 38.5 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 85% | 0.847 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 122.7 | 164.5 | -42.7 | 0 | 0 | 0 | 0 | 108.3 | V286 | V286-T288 PolarHBondContact O-N 3.2Š|
| 289 | E | 38.2 | Very low | 38 | Very low | 186 Ų | 186 | 145.5 Ų | 145.5 | 87% | 0.869 | 86% | 0.855 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 148.3 | -176.3 | -68.3 | -157.7 | 145.9 | 0 | 0 | 114.3 | ||
| 290 | L | 40.3 | Very low | 38.1 | Very low | 175 Ų | 175 | 151 Ų | 151 | 92% | 0.916 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 125.4 | 171 | -73.6 | 153.2 | 0 | 0 | 0 | 111.6 | ||
| 291 | S | 30.7 | Very low | 37.5 | Very low | 109 Ų | 109 | 152.7 Ų | 152.7 | 76% | 0.762 | 87% | 0.87 | S | S | * | * | trans | -150.4 | 109.1 | 141.7 | 64.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 292 | N | 39.5 | Very low | 37.2 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 87% | 0.866 | 87% | 0.871 | S | S | * | * | trans | -139.4 | 144.8 | 155.5 | -88.2 | -23.2 | 0 | 0 | 0 | 106 | ||||
| 293 | F | 40.7 | Very low | 37.5 | Very low | 287 Ų | 287 | 145.2 Ų | 145.2 | 100% | 1.259 | 86% | 0.864 | S | S | * | * | trans | -52.1 | 0 | 167.3 | -79.2 | -90.3 | 0 | 0 | 0 | 111.9 |
Retrieved 293 of 293 residues in 76.9 ms
(Link to these results)