| 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 | 41.5 | Very low | 38.1 | Very low | 239 Ų | 239 | 199.5 Ų | 199.5 | 100% | 1.177 | 90% | 0.9 | S | S | * | * | 0 | 106.7 | 0 | -71.8 | 165.3 | 101 | 0 | 0 | 108 | |||||
| 2 | K | 36.2 | Very low | 37.6 | Very low | 204 Ų | 204 | 198.7 Ų | 198.7 | 89% | 0.887 | 89% | 0.894 | S | S | * | * | 44.3 | 113.8 | 103.9 | -80.7 | -175 | -179.2 | 175.5 | 0 | 111.6 | |||||
| 3 | K | 37.3 | Very low | 37.2 | Very low | 202 Ų | 202 | 192.6 Ų | 192.6 | 88% | 0.878 | 88% | 0.882 | S | S | * | * | -165.3 | 137 | 66.9 | -104.9 | 166 | 177.6 | 172.9 | 0 | 112.6 | |||||
| 4 | R | 33.4 | Very low | 37.2 | Very low | 244 Ų | 244 | 189.1 Ų | 189.1 | 92% | 0.921 | 87% | 0.874 | S | S | * | * | trans | -75.2 | 149.6 | 160.6 | -72 | 174.2 | 165.2 | 177.9 | -4.9 | 111 | ||||
| 5 | R | 47.1 | Very low | 36.8 | Very low | 249 Ų | 249 | 188.4 Ų | 188.4 | 94% | 0.94 | 87% | 0.871 | S | S | * | * | trans | -141.8 | 127.2 | 147.1 | -70.6 | -176 | 176.8 | 179.7 | -0.7 | 104.7 | ||||
| 6 | G | 35.3 | Very low | 36.7 | Very low | 73 Ų | 73 | 185.4 Ų | 185.4 | 75% | 0.753 | 86% | 0.862 | S | S | * | * | cis | 109 | 77.2 | 20.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 7 | F | 39.7 | Very low | 36.7 | Very low | 217 Ų | 217 | 185.2 Ų | 185.2 | 95% | 0.952 | 86% | 0.858 | S | S | * | * | trans | -118.5 | 120.1 | 168.6 | -110.4 | -87.6 | 0 | 0 | 0 | 110 | ||||
| 8 | K | 42.7 | Very low | 36.5 | Very low | 207 Ų | 207 | 179.7 Ų | 179.7 | 90% | 0.9 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 144 | 180 | -82.6 | 177.3 | 170 | -179.3 | 0 | 110.8 | ||
| 9 | K | 32.5 | Very low | 36.5 | Very low | 188 Ų | 188 | 180.1 Ų | 180.1 | 82% | 0.817 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 135.5 | 173.8 | -159.2 | -180 | -176.1 | -168.6 | 0 | 108.9 | ||
| 10 | K | 39.6 | Very low | 36.4 | Very low | 207 Ų | 207 | 179 Ų | 179 | 90% | 0.9 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 122.3 | 167.6 | -113.5 | -179.3 | 175.2 | -176.4 | 0 | 107.9 | ||
| 11 | E | 34 | Very low | 36.3 | Very low | 165 Ų | 165 | 179.6 Ų | 179.6 | 77% | 0.771 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -90 | 142.3 | 167.4 | -76.8 | 173.8 | 158.6 | 0 | 0 | 108.7 | ||
| 12 | F | 32.5 | Very low | 36 | Very low | 189 Ų | 189 | 172 Ų | 172 | 83% | 0.829 | 84% | 0.836 | S | S | * | * | trans | -127.3 | 116.9 | 166.1 | -130.6 | -89.6 | 0 | 0 | 0 | 105.8 | ||||
| 13 | T | 31.6 | Very low | 35.9 | Very low | 120 Ų | 120 | 170.6 Ų | 170.6 | 74% | 0.736 | 83% | 0.833 | S | S | * | * | trans | -109.1 | 128.1 | 171.9 | 40.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 14 | D | 37.3 | Very low | 35.6 | Very low | 144 Ų | 144 | 167.5 Ų | 167.5 | 77% | 0.77 | 84% | 0.835 | S | S | * | * | trans | -128.8 | 112.4 | 157.5 | -84.3 | -34.9 | 0 | 0 | 0 | 107.8 | ||||
| 15 | E | 32 | Very low | 35.5 | Very low | 178 Ų | 178 | 161.6 Ų | 161.6 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -66.6 | 145.8 | 158 | -65.8 | 170.1 | 154.1 | 0 | 0 | 108.2 | ||||
| 16 | L | 34.9 | Very low | 34.8 | Very low | 140 Ų | 140 | 156.9 Ų | 156.9 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | -174 | 123.3 | 147.1 | -99.6 | 152.4 | 0 | 0 | 0 | 110.5 | ||||
| 17 | F | 36.9 | Very low | 34.8 | Very low | 182 Ų | 182 | 159 Ų | 159 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | 92.2 | 92 | 163 | -52 | -68.2 | 0 | 0 | 0 | 120.2 | ||||
| 18 | A | 32.1 | Very low | 34.4 | Very low | 87 Ų | 87 | 155.9 Ų | 155.9 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | trans | -58.1 | 160.4 | 137.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 19 | E | 36.1 | Very low | 33.7 | Very low | 186 Ų | 186 | 149.8 Ų | 149.8 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | cis | -152.3 | 157.7 | 45.1 | -74 | 163.8 | 168.3 | 0 | 0 | 106.2 | ||||
| 20 | D | 36.3 | Very low | 33.6 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | -173.9 | 144.1 | 79.4 | -158.2 | 0.9 | 0 | 0 | 0 | 109.9 | |||||
| 21 | E | 33.3 | Very low | 33.2 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -86.2 | 141.4 | -176.7 | -65.7 | -162.1 | 152.5 | 0 | 0 | 111.5 | ||||
| 22 | G | 36.1 | Very low | 33.1 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -152.4 | 101.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 23 | E | 33.1 | Very low | 33.3 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -52.5 | 140.6 | -177.6 | -66.6 | 177.3 | 125.8 | 0 | 0 | 114.1 | ||||
| 24 | C | 31.1 | Very low | 33.6 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | trans | -144.6 | 104.4 | 150 | -132.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 25 | N | 30.9 | Very low | 33.9 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 64% | 0.642 | 79% | 0.792 | S | S | * | * | trans | -81 | 150.8 | -176.4 | -96 | -46 | 0 | 0 | 0 | 112.9 | ||||
| 26 | L | 32.2 | Very low | 34.4 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | 69.7 | 129.4 | 151.7 | -65.4 | 153.6 | 0 | 0 | 0 | 115.4 | ||||
| 27 | V | 35.5 | Very low | 35.5 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | -170.7 | 132.9 | 64.3 | 165 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 28 | N | 31.4 | Very low | 36.8 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | 43.9 | 145.6 | 148.6 | -65.6 | -24.6 | 0 | 0 | 0 | 120.6 | ||||
| 29 | A | 28.5 | Very low | 38.2 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | cis | -170.3 | 153.1 | 13.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 30 | S | 29.5 | Very low | 39.9 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | 10.8 | 122.6 | 154.6 | 52.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 31 | I | 32 | Very low | 41.6 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 80% | 0.795 | 73% | 0.731 | S | S | * | * | trans | 174.6 | 107.1 | 135 | -88 | 149.2 | 0 | 0 | 0 | 108.1 | ||||
| 32 | L | 32.8 | Very low | 43.2 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | trans | 148.5 | 91.3 | 136 | -76.1 | 165.4 | 0 | 0 | 0 | 113.1 | V34 | L32-V34 PolarHBondContact O-N 3.25Š| ||
| 33 | R | 35.4 | Very low | 44.9 | Very low | 240 Ų | 240 | 136.6 Ų | 136.6 | 91% | 0.906 | 72% | 0.715 | S | S | * | * | trans | -56.7 | 115.4 | 151.5 | -74.4 | 178.6 | 176.8 | 179.2 | -0.8 | 108.2 | E35 | R33-E35 PolarHBondContact O-N 2.91Å; R33-E35 VanDerWaalsContact O-N 3.17Å | ||
| 34 | V | 38.8 | Very low | 46.9 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | trans | -83 | 91.2 | 173.8 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | L32 | L32-V34 PolarHBondContact O-N 3.25Š| ||
| 35 | E | 43.8 | Very low | 49 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 77% | 0.766 | 69% | 0.689 | S | S | * | * | trans | -63.1 | 132.4 | 166.4 | -74.6 | -174.1 | 165.5 | 0 | 0 | 110.1 | R33 V37 | R33-E35 PolarHBondContact O-N 2.91Å; R33-E35 VanDerWaalsContact O-N 3.17Å; E35-V37 VanDerWaalsContact C-N 3.31Å; E35-V37 PolarHBondContact O-N 3.07Å | ||
| 36 | H | 42.3 | Very low | 50.6 | Low | 194 Ų | 194 | 138.6 Ų | 138.6 | 90% | 0.898 | 69% | 0.693 | S | S | * | * | trans | -75.1 | 79.4 | -174.1 | -147.7 | -79.3 | 0 | 0 | 0 | 110.7 | S38 | H36-S38 PolarHBondContact O-N 3.43Š| ||
| 37 | V | 58 | Low | 52.6 | Low | 61 Ų | 61 | 139.2 Ų | 139.2 | 37% | 0.37 | 69% | 0.689 | S | S | . | * | trans | -68.2 | 118.8 | 178.9 | -179.3 | 0 | 0 | 0 | 0 | 110.4 | E35 T41 K42 | E35-V37 VanDerWaalsContact C-N 3.31Å; E35-V37 PolarHBondContact O-N 3.07Å; V37-T41 HydrophobicContact CG1-CG2 3.72Å; V37-K42 HydrophobicContact CB-CG 4.42Å; V37-K42 HydrophobicContact CG1-CG 4Å | ||
| 38 | S | 63.2 | Low | 54.6 | Low | 59 Ų | 59 | 140.4 Ų | 140.4 | 41% | 0.413 | 69% | 0.685 | S | S | . | * | trans | -53.4 | 147.4 | 178.6 | 89.6 | 0 | 0 | 0 | 0 | 112.4 | H36 K40 T41 K42 | H36-S38 PolarHBondContact O-N 3.43Å; S38-K40 PolarHBondContact O-N 3.44Å; S38-K40 VanDerWaalsContact O-N 3.14Å; S38-T41 WeakPolarHBondContact O-CB 3.35Å; S38-T41 PolarHBondContact O-N 3.44Å; S38-T41 PolarHBondContact OG-N 3.23Å; S38-T41 PolarHBondContact OG-OG1 3.19Å; S38-K42 PolarHBondContact O-N 2.79Å | ||
| 39 | S | 61.6 | Low | 56.2 | Low | 98 Ų | 98 | 136.9 Ų | 136.9 | 69% | 0.685 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -56.6 | -31.1 | 179.8 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | R43 | S39-R43 WeakPolarHBondContact O-CB 3.25Å; S39-R43 PolarHBondContact O-N 2.82Å |
| 40 | K | 72.6 | Confident | 57.7 | Low | 174 Ų | 174 | 137.9 Ų | 137.9 | 76% | 0.757 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -66.2 | -41.7 | 174.5 | -73.9 | -176.1 | 178.9 | 176 | 0 | 111.8 | S38 R43 R44 | S38-K40 PolarHBondContact O-N 3.44Å; S38-K40 VanDerWaalsContact O-N 3.14Å; K40-R43 PolarHBondContact O-N 3.11Å; K40-R44 PolarHBondContact O-N 2.99Å |
| 41 | T | 72.4 | Confident | 59.6 | Low | 63 Ų | 63 | 140.5 Ų | 140.5 | 39% | 0.387 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -69 | -41.5 | 178 | -44.9 | 0 | 0 | 0 | 0 | 111.1 | V37 S38 R43 R44 N45 | V37-T41 HydrophobicContact CG1-CG2 3.72Å; S38-T41 WeakPolarHBondContact O-CB 3.35Å; S38-T41 PolarHBondContact O-N 3.44Å; S38-T41 PolarHBondContact OG-N 3.23Å; S38-T41 PolarHBondContact OG-OG1 3.19Å; T41-R43 VanDerWaalsContact C-N 3.31Å; T41-R43 PolarHBondContact O-N 3.17Å; T41-R44 PolarHBondContact O-N 3.25Å; T41-N45 WeakPolarHBondContact O-CB 3.46Å; T41-N45 PolarHBondContact O-N 3.07Å |
| 42 | K | 66.7 | Low | 61.1 | Low | 139 Ų | 139 | 141 Ų | 141 | 60% | 0.604 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -58 | -42.1 | 172 | -72.2 | -173.5 | -179.4 | 178.9 | 0 | 111.9 | V37 S38 N45 R46 | V37-K42 HydrophobicContact CB-CG 4.42Å; V37-K42 HydrophobicContact CG1-CG 4Å; S38-K42 PolarHBondContact O-N 2.79Å; K42-N45 PolarHBondContact O-N 3.49Å; K42-R46 WeakPolarHBondContact O-CB 3.14Å; K42-R46 PolarHBondContact O-N 3.03Å |
| 43 | R | 70.6 | Confident | 62 | Low | 204 Ų | 204 | 138.2 Ų | 138.2 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.9 | -39.5 | 179 | -161.2 | 175.5 | -177.4 | -177.9 | -0 | 112.8 | S39 K40 T41 R46 K47 | S39-R43 WeakPolarHBondContact O-CB 3.25Å; S39-R43 PolarHBondContact O-N 2.82Å; K40-R43 PolarHBondContact O-N 3.11Å; T41-R43 VanDerWaalsContact C-N 3.31Å; T41-R43 PolarHBondContact O-N 3.17Å; R43-R46 PolarHBondContact O-N 3.05Å; R43-K47 PolarHBondContact O-N 3.12Å; R43-K47 VanDerWaalsContact O-N 3.1Å |
| 44 | R | 76.6 | Confident | 63 | Low | 199 Ų | 199 | 134.1 Ų | 134.1 | 75% | 0.751 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.4 | -45 | 173.3 | -91.5 | -175.7 | 170.6 | 177.1 | -2.5 | 111.8 | K40 T41 R46 K47 K48 | K40-R44 PolarHBondContact O-N 2.99Å; T41-R44 PolarHBondContact O-N 3.25Å; R44-R46 PolarHBondContact O-N 3.32Å; R44-K47 PolarHBondContact O-N 2.86Å; R44-K48 PolarHBondContact O-N 2.77Å |
| 45 | N | 73.7 | Confident | 63.9 | Low | 84 Ų | 84 | 134.5 Ų | 134.5 | 45% | 0.449 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -61.4 | -44.8 | 176.3 | -75.2 | -7.1 | 0 | 0 | 0 | 110.8 | T41 K42 K47 K48 T49 | T41-N45 WeakPolarHBondContact O-CB 3.46Å; T41-N45 PolarHBondContact O-N 3.07Å; K42-N45 PolarHBondContact O-N 3.49Å; N45-K47 VanDerWaalsContact C-N 3.33Å; N45-K47 PolarHBondContact O-N 2.9Å; N45-K48 PolarHBondContact O-N 3.38Å; N45-K48 VanDerWaalsContact O-N 3.07Å; N45-T49 PolarHBondContact O-N 3.3Å; N45-T49 PolarHBondContact O-OG1 2.96Å |
| 46 | R | 64.7 | Low | 64.2 | Low | 190 Ų | 190 | 130.8 Ų | 130.8 | 72% | 0.717 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -59.9 | -39.2 | 177.4 | -153.1 | 175.5 | -176.7 | -177.2 | 0.3 | 113.1 | K42 R43 R44 T49 L50 | K42-R46 WeakPolarHBondContact O-CB 3.14Å; K42-R46 PolarHBondContact O-N 3.03Å; R43-R46 PolarHBondContact O-N 3.05Å; R44-R46 PolarHBondContact O-N 3.32Å; R46-T49 PolarHBondContact O-N 3.36Å; R46-L50 HydrophobicContact CG-CD1 4.5Å; R46-L50 WeakPolarHBondContact O-CB 3.25Å; R46-L50 WeakPolarHBondContact O-CG 3.41Å; R46-L50 PolarHBondContact O-N 3.4Å |
| 47 | K | 73.9 | Confident | 64.7 | Low | 163 Ų | 163 | 128 Ų | 128 | 71% | 0.709 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.4 | -39 | 173.7 | -109.1 | -173 | 175.8 | -173 | 0 | 112.6 | R43 R44 N45 K51 | R43-K47 PolarHBondContact O-N 3.12Å; R43-K47 VanDerWaalsContact O-N 3.1Å; R44-K47 PolarHBondContact O-N 2.86Å; N45-K47 VanDerWaalsContact C-N 3.33Å; N45-K47 PolarHBondContact O-N 2.9Å; K47-K51 PolarHBondContact O-N 3.28Å; K47-K51 VanDerWaalsContact O-N 3.12Å |
| 48 | K | 77.4 | Confident | 64 | Low | 143 Ų | 143 | 132.6 Ų | 132.6 | 62% | 0.622 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.8 | -40.1 | 174.7 | -71.7 | -175.4 | 177.9 | -175.1 | 0 | 111.6 | R44 N45 K52 | R44-K48 PolarHBondContact O-N 2.77Å; N45-K48 PolarHBondContact O-N 3.38Å; N45-K48 VanDerWaalsContact O-N 3.07Å; K48-K52 PolarHBondContact O-N 3Å; K48-K52 VanDerWaalsContact O-N 3.12Å |
| 49 | T | 65.3 | Low | 63.3 | Low | 77 Ų | 77 | 136 Ų | 136 | 47% | 0.472 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -67 | -43 | 176.3 | -42.4 | 0 | 0 | 0 | 0 | 111.3 | N45 R46 K51 K52 L53 | N45-T49 PolarHBondContact O-N 3.3Å; N45-T49 PolarHBondContact O-OG1 2.96Å; R46-T49 PolarHBondContact O-N 3.36Å; T49-K51 PolarHBondContact O-N 2.91Å; T49-K52 WeakPolarHBondContact O-CB 3.46Å; T49-K52 PolarHBondContact O-N 3.46Å; T49-K52 VanDerWaalsContact O-N 3.1Å; T49-L53 HydrophobicContact CG2-CD1 4.15Å; T49-L53 HydrophobicContact CG2-CG 4.46Å; T49-L53 VanDerWaalsContact O-CG 3.25Å; T49-L53 WeakPolarHBondContact O-CG 3.44Å; T49-L53 PolarHBondContact O-N 2.65Å |
| 50 | L | 59.5 | Low | 63.1 | Low | 101 Ų | 101 | 135.4 Ų | 135.4 | 53% | 0.529 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.6 | -42.8 | 175.9 | -83.8 | 159 | 0 | 0 | 0 | 112.6 | R46 K52 L53 E54 | R46-L50 HydrophobicContact CG-CD1 4.5Å; R46-L50 WeakPolarHBondContact O-CB 3.25Å; R46-L50 WeakPolarHBondContact O-CG 3.41Å; R46-L50 PolarHBondContact O-N 3.4Å; L50-K52 VanDerWaalsContact C-N 3.29Å; L50-K52 PolarHBondContact O-N 3.04Å; L50-L53 PolarHBondContact O-N 2.87Å; L50-L53 VanDerWaalsContact O-N 3.1Å; L50-E54 PolarHBondContact O-N 3.34Å |
| 51 | K | 70.9 | Confident | 62.2 | Low | 156 Ų | 156 | 130.9 Ų | 130.9 | 68% | 0.678 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.7 | -30.8 | 173 | -79.6 | -168.7 | 170.7 | -163.8 | 0 | 113.7 | K47 T49 | K47-K51 PolarHBondContact O-N 3.28Å; K47-K51 VanDerWaalsContact O-N 3.12Å; T49-K51 PolarHBondContact O-N 2.91Å |
| 52 | K | 63.7 | Low | 60.6 | Low | 166 Ų | 166 | 130 Ų | 130 | 72% | 0.722 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -74 | -30.2 | 172.6 | -76.5 | -173.5 | 175.4 | -169.3 | 0 | 112.3 | K48 T49 L50 | K48-K52 PolarHBondContact O-N 3Å; K48-K52 VanDerWaalsContact O-N 3.12Å; T49-K52 WeakPolarHBondContact O-CB 3.46Å; T49-K52 PolarHBondContact O-N 3.46Å; T49-K52 VanDerWaalsContact O-N 3.1Å; L50-K52 VanDerWaalsContact C-N 3.29Å; L50-K52 PolarHBondContact O-N 3.04Å |
| 53 | L | 51.9 | Low | 60.2 | Low | 92 Ų | 92 | 127.8 Ų | 127.8 | 48% | 0.482 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -80.2 | -23.2 | 178.7 | -68.3 | 169.6 | 0 | 0 | 0 | 112.9 | T49 L50 N55 I56 | T49-L53 HydrophobicContact CG2-CD1 4.15Å; T49-L53 HydrophobicContact CG2-CG 4.46Å; T49-L53 VanDerWaalsContact O-CG 3.25Å; T49-L53 WeakPolarHBondContact O-CG 3.44Å; T49-L53 PolarHBondContact O-N 2.65Å; L50-L53 PolarHBondContact O-N 2.87Å; L50-L53 VanDerWaalsContact O-N 3.1Å; L53-N55 PolarHBondContact O-N 3.33Å; L53-I56 HydrophobicContact CD2-CD1 3.56Å; L53-I56 PolarHBondContact O-N 2.65Å; L53-I56 VanDerWaalsContact O-N 3.09Å |
| 54 | E | 55.6 | Low | 59.6 | Low | 153 Ų | 153 | 125.8 Ų | 125.8 | 72% | 0.715 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -24 | 172.7 | -82.6 | 172.4 | 166.8 | 0 | 0 | 113 | L50 | L50-E54 PolarHBondContact O-N 3.34Š|
| 55 | N | 58.1 | Low | 58.3 | Low | 145 Ų | 145 | 123.3 Ų | 123.3 | 78% | 0.775 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 1.4 | 176.5 | -74.5 | -10.5 | 0 | 0 | 0 | 113.9 | L53 | L53-N55 PolarHBondContact O-N 3.33Š|
| 56 | I | 49 | Very low | 57.2 | Low | 85 Ų | 85 | 125 Ų | 125 | 44% | 0.436 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -90.3 | 110.4 | 175.2 | -58.2 | -173.8 | 0 | 0 | 0 | 107.5 | L53 F58 V61 | L53-I56 HydrophobicContact CD2-CD1 3.56Å; L53-I56 PolarHBondContact O-N 2.65Å; L53-I56 VanDerWaalsContact O-N 3.09Å; I56-F58 VanDerWaalsContact C-N 3.26Å; I56-F58 PolarHBondContact O-N 3.35Å; I56-V61 HydrophobicContact CG2-CG2 3.46Å; I56-V61 VanDerWaalsContact CG2-CG2 3.46Å |
| 57 | Q | 53 | Low | 56.9 | Low | 137 Ų | 137 | 120.1 Ų | 120.1 | 64% | 0.64 | 60% | 0.595 | S | S | * | * | trans | -62.5 | 92.1 | 169.5 | -73.3 | -171.6 | -13.2 | 0 | 0 | 108.7 | L59 N60 V61 | Q57-L59 PolarHBondContact O-N 2.86Å; Q57-L59 VanDerWaalsContact O-N 3.1Å; Q57-N60 HydrophobicContact CB-CB 4.48Å; Q57-N60 PolarHBondContact O-N 2.89Å; Q57-N60 PolarHBondContact OE1-ND2 3.39Å; Q57-V61 PolarHBondContact O-N 2.96Å | ||
| 58 | F | 43.6 | Very low | 55.6 | Low | 157 Ų | 157 | 116.5 Ų | 116.5 | 69% | 0.689 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -50.2 | -35.7 | -175.6 | -177.6 | -102.3 | 0 | 0 | 0 | 112.3 | I56 N60 V61 C62 | I56-F58 VanDerWaalsContact C-N 3.26Å; I56-F58 PolarHBondContact O-N 3.35Å; F58-N60 PolarHBondContact O-N 2.95Å; F58-V61 PolarHBondContact O-N 3.42Å; F58-C62 VanDerWaalsContact CE1-SG 3.56Å; F58-C62 PolarHBondContact O-N 2.91Å; F58-C62 PolarHBondContact O-SG 3.5Å; F58-C62 VanDerWaalsContact O-SG 3.35Å |
| 59 | L | 49.4 | Very low | 53.8 | Low | 129 Ų | 129 | 116.1 Ų | 116.1 | 68% | 0.675 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -56.6 | -47.6 | 173.9 | -83.4 | 150.1 | 0 | 0 | 0 | 112.9 | Q57 V61 C62 D63 | Q57-L59 PolarHBondContact O-N 2.86Å; Q57-L59 VanDerWaalsContact O-N 3.1Å; L59-V61 VanDerWaalsContact C-N 3.27Å; L59-V61 PolarHBondContact O-N 3.4Å; L59-C62 WeakPolarHBondContact O-CB 3.46Å; L59-C62 PolarHBondContact O-N 3.09Å; L59-D63 PolarHBondContact O-N 3.31Å |
| 60 | N | 56.6 | Low | 52.6 | Low | 87 Ų | 87 | 117.1 Ų | 117.1 | 47% | 0.465 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.6 | -26.5 | -180 | -67.7 | -13.6 | 0 | 0 | 0 | 113 | Q57 F58 K64 | Q57-N60 HydrophobicContact CB-CB 4.48Å; Q57-N60 PolarHBondContact O-N 2.89Å; Q57-N60 PolarHBondContact OE1-ND2 3.39Å; F58-N60 PolarHBondContact O-N 2.95Å; N60-K64 WeakPolarHBondContact O-CB 3.25Å; N60-K64 WeakPolarHBondContact O-CG 3.34Å; N60-K64 PolarHBondContact O-N 3.43Å |
| 61 | V | 53 | Low | 51.7 | Low | 78 Ų | 78 | 123.6 Ų | 123.6 | 47% | 0.473 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -77.6 | -37.8 | 175.1 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | I56 Q57 F58 L59 Y65 | I56-V61 HydrophobicContact CG2-CG2 3.46Å; I56-V61 VanDerWaalsContact CG2-CG2 3.46Å; Q57-V61 PolarHBondContact O-N 2.96Å; F58-V61 PolarHBondContact O-N 3.42Å; L59-V61 VanDerWaalsContact C-N 3.27Å; L59-V61 PolarHBondContact O-N 3.4Å; V61-Y65 VanDerWaalsContact O-CB 3.3Å; V61-Y65 WeakPolarHBondContact O-CB 3.48Å; V61-Y65 PolarHBondContact O-N 3.45Å |
| 62 | C | 40.4 | Very low | 50.2 | Low | 44 Ų | 44 | 121.6 Ų | 121.6 | 30% | 0.297 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.8 | -44.5 | 172.3 | -72 | 0 | 0 | 0 | 0 | 111.7 | F58 L59 Y65 L66 | F58-C62 VanDerWaalsContact CE1-SG 3.56Å; F58-C62 PolarHBondContact O-N 2.91Å; F58-C62 PolarHBondContact O-SG 3.5Å; F58-C62 VanDerWaalsContact O-SG 3.35Å; L59-C62 WeakPolarHBondContact O-CB 3.46Å; L59-C62 PolarHBondContact O-N 3.09Å; C62-Y65 PolarHBondContact O-N 3.42Å; C62-Y65 VanDerWaalsContact O-N 3.15Å; C62-L66 WeakPolarHBondContact O-CB 3.17Å; C62-L66 VanDerWaalsContact O-CG 3.3Å; C62-L66 WeakPolarHBondContact O-CG 3.39Å; C62-L66 PolarHBondContact O-N 2.99Å |
| 63 | D | 56.4 | Low | 48.9 | Very low | 93 Ų | 93 | 120.3 Ų | 120.3 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.9 | -40.7 | 179.3 | -69.9 | -20.4 | 0 | 0 | 0 | 112 | L59 Y65 L66 A67 | L59-D63 PolarHBondContact O-N 3.31Å; D63-Y65 VanDerWaalsContact C-N 3.33Å; D63-Y65 PolarHBondContact O-N 2.7Å; D63-L66 PolarHBondContact O-N 3.19Å; D63-A67 WeakPolarHBondContact O-CB 3.38Å; D63-A67 PolarHBondContact O-N 3.02Å |
| 64 | K | 59.1 | Low | 48 | Very low | 163 Ų | 163 | 121 Ų | 121 | 71% | 0.709 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.1 | -34.3 | 171.8 | -79.1 | -176.3 | 177.4 | -177.5 | 0 | 112.9 | N60 S68 | N60-K64 WeakPolarHBondContact O-CB 3.25Å; N60-K64 WeakPolarHBondContact O-CG 3.34Å; N60-K64 PolarHBondContact O-N 3.43Å; K64-S68 WeakPolarHBondContact O-CB 3.39Å; K64-S68 PolarHBondContact O-N 2.94Å; K64-S68 PolarHBondContact O-OG 3.46Å |
| 65 | Y | 48.5 | Very low | 46.9 | Very low | 146 Ų | 146 | 122.8 Ų | 122.8 | 57% | 0.573 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.1 | -37.9 | 177.2 | -173.3 | -96.7 | 0 | 0 | 0 | 112.3 | V61 C62 D63 S68 K69 | V61-Y65 VanDerWaalsContact O-CB 3.3Å; V61-Y65 WeakPolarHBondContact O-CB 3.48Å; V61-Y65 PolarHBondContact O-N 3.45Å; C62-Y65 PolarHBondContact O-N 3.42Å; C62-Y65 VanDerWaalsContact O-N 3.15Å; D63-Y65 VanDerWaalsContact C-N 3.33Å; D63-Y65 PolarHBondContact O-N 2.7Å; Y65-S68 WeakPolarHBondContact CA-OG 3.45Å; Y65-S68 PolarHBondContact O-OG 2.85Å; Y65-K69 PolarHBondContact O-N 2.72Å |
| 66 | L | 51.3 | Low | 45.4 | Very low | 120 Ų | 120 | 121.2 Ų | 121.2 | 63% | 0.628 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.7 | -37.1 | 175.4 | -69.6 | 171.1 | 0 | 0 | 0 | 111.7 | C62 D63 | C62-L66 WeakPolarHBondContact O-CB 3.17Å; C62-L66 VanDerWaalsContact O-CG 3.3Å; C62-L66 WeakPolarHBondContact O-CG 3.39Å; C62-L66 PolarHBondContact O-N 2.99Å; D63-L66 PolarHBondContact O-N 3.19Å |
| 67 | A | 59.1 | Low | 44.6 | Very low | 87 Ų | 87 | 124.2 Ų | 124.2 | 72% | 0.719 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -74.2 | -26.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D63 | D63-A67 WeakPolarHBondContact O-CB 3.38Å; D63-A67 PolarHBondContact O-N 3.02Å |
| 68 | S | 46.5 | Very low | 43.5 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 62% | 0.615 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -89.1 | -11 | 178.1 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | K64 Y65 S70 | K64-S68 WeakPolarHBondContact O-CB 3.39Å; K64-S68 PolarHBondContact O-N 2.94Å; K64-S68 PolarHBondContact O-OG 3.46Å; Y65-S68 WeakPolarHBondContact CA-OG 3.45Å; Y65-S68 PolarHBondContact O-OG 2.85Å; S68-S70 PolarHBondContact O-N 3.19Å |
| 69 | K | 39.3 | Very low | 43 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 59% | 0.587 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -71.7 | 88.5 | 161.1 | -95.4 | -169.1 | 173.5 | -176.3 | 0 | 108.5 | Y65 R71 | Y65-K69 PolarHBondContact O-N 2.72Å; K69-R71 PolarHBondContact O-N 3.38Å |
| 70 | S | 40.2 | Very low | 42.4 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 69% | 0.685 | 65% | 0.652 | S | S | * | * | trans | -34.3 | 127.5 | 152.3 | 173.1 | 0 | 0 | 0 | 0 | 108.1 | S68 V72 | S68-S70 PolarHBondContact O-N 3.19Å; S70-V72 PolarHBondContact O-N 3.03Å | ||
| 71 | R | 40.4 | Very low | 41.5 | Very low | 236 Ų | 236 | 126 Ų | 126 | 89% | 0.891 | 67% | 0.665 | S | S | * | * | trans | -48.3 | 94.3 | 173.4 | -80.7 | 177.4 | 170.1 | 179.4 | -3.6 | 107.2 | K69 L73 | K69-R71 PolarHBondContact O-N 3.38Å; R71-L73 PolarHBondContact O-N 3.34Å | ||
| 72 | V | 39.3 | Very low | 41 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 69% | 0.691 | 66% | 0.663 | S | S | * | * | trans | -63.6 | 102.8 | 163.4 | 178.7 | 0 | 0 | 0 | 0 | 101.6 | S70 | S70-V72 PolarHBondContact O-N 3.03Š| ||
| 73 | L | 35.8 | Very low | 41.3 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 73% | 0.728 | 68% | 0.676 | S | S | * | * | trans | -37.8 | 136.7 | 165.4 | -91.6 | 110.3 | 0 | 0 | 0 | 106.4 | R71 K75 | R71-L73 PolarHBondContact O-N 3.34Å; L73-K75 PolarHBondContact O-N 3.37Å | ||
| 74 | P | 32.9 | Very low | 41.1 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 70% | 0.695 | 69% | 0.688 | S | S | * | * | trans | -45.9 | 119.6 | 173.5 | 23.1 | -31.9 | 0 | 0 | 0 | 105.1 | V76 | P74-V76 PolarHBondContact O-N 3.07Š| ||
| 75 | K | 32.4 | Very low | 41.2 | Very low | 191 Ų | 191 | 126 Ų | 126 | 83% | 0.83 | 66% | 0.661 | S | S | * | * | trans | -55.4 | 101.1 | 173 | -98.3 | -176.6 | 173.4 | -176.5 | 0 | 102.8 | L73 L77 | L73-K75 PolarHBondContact O-N 3.37Å; K75-L77 VanDerWaalsContact C-N 3.33Å; K75-L77 PolarHBondContact O-N 3.3Å | ||
| 76 | V | 28.3 | Very low | 42 | Very low | 111 Ų | 111 | 124.6 Ų | 124.6 | 67% | 0.673 | 67% | 0.672 | S | S | * | * | trans | -52.1 | 111 | 173.3 | 178.3 | 0 | 0 | 0 | 0 | 101.2 | P74 | P74-V76 PolarHBondContact O-N 3.07Š| ||
| 77 | L | 31.8 | Very low | 43.5 | Very low | 149 Ų | 149 | 121.7 Ų | 121.7 | 78% | 0.78 | 66% | 0.657 | S | S | * | * | trans | -43.5 | 135.3 | 161.4 | -81.4 | 160 | 0 | 0 | 0 | 104.6 | K75 E79 | K75-L77 VanDerWaalsContact C-N 3.33Å; K75-L77 PolarHBondContact O-N 3.3Å; L77-E79 PolarHBondContact O-N 3.05Å | ||
| 78 | P | 29.7 | Very low | 44.8 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 71% | 0.708 | 65% | 0.648 | S | S | * | * | trans | -44.1 | 122.5 | 177.7 | -16.4 | 24.7 | 0 | 0 | 0 | 105.9 | I80 | P78-I80 PolarHBondContact O-N 2.92Š| ||
| 79 | E | 33.6 | Very low | 46.8 | Very low | 162 Ų | 162 | 124.3 Ų | 124.3 | 76% | 0.757 | 65% | 0.652 | S | S | * | * | trans | -43.9 | 120.6 | 165.8 | -104 | 175.9 | 169.8 | 0 | 0 | 103.5 | L77 L81 | L77-E79 PolarHBondContact O-N 3.05Å; E79-L81 PolarHBondContact O-N 3.49Å | ||
| 80 | I | 34.9 | Very low | 49.1 | Very low | 134 Ų | 134 | 118.9 Ų | 118.9 | 69% | 0.687 | 63% | 0.629 | S | S | * | * | trans | -60.8 | 90.4 | 178.7 | -61.7 | 165.7 | 0 | 0 | 0 | 102.6 | P78 P82 | P78-I80 PolarHBondContact O-N 2.92Å; I80-P82 WeakPolarHBondContact O-CD 3.11Å | ||
| 81 | L | 37.9 | Very low | 51.4 | Low | 143 Ų | 143 | 116.9 Ų | 116.9 | 75% | 0.749 | 61% | 0.61 | S | S | * | * | trans | -61.7 | 114.6 | 176 | -83.4 | 165 | 0 | 0 | 0 | 102 | E79 Q83 | E79-L81 PolarHBondContact O-N 3.49Å; L81-Q83 PolarHBondContact O-N 3.05Å | ||
| 82 | P | 43.3 | Very low | 53.8 | Low | 64 Ų | 64 | 111.1 Ų | 111.1 | 42% | 0.416 | 60% | 0.597 | S | S | . | * | trans | -54.1 | 122.9 | 160.4 | -6.5 | 21.2 | 0 | 0 | 0 | 102.9 | I80 F84 | I80-P82 WeakPolarHBondContact O-CD 3.11Å; P82-F84 HydrophobicContact CB-CD2 4.45Å; P82-F84 PolarHBondContact O-N 2.74Å | ||
| 83 | Q | 45.7 | Very low | 56.3 | Low | 126 Ų | 126 | 109 Ų | 109 | 59% | 0.589 | 58% | 0.579 | S | S | * | * | trans | -59.6 | 96.8 | 158.8 | -93.5 | 165.6 | -50.4 | 0 | 0 | 104.1 | L81 C85 V271 I272 | L81-Q83 PolarHBondContact O-N 3.05Å; Q83-C85 VanDerWaalsContact C-N 3.34Å; Q83-C85 PolarHBondContact O-N 3.11Å; Q83-V271 VanDerWaalsContact CB-O 3.23Å; Q83-V271 WeakPolarHBondContact CB-O 3.21Å; Q83-I272 VanDerWaalsContact CD-O 3.23Å; Q83-I272 PolarHBondContact NE2-O 2.95Å; Q83-I272 PolarHBondContact OE1-O 3.48Å | ||
| 84 | F | 52.5 | Low | 59 | Low | 168 Ų | 168 | 102.4 Ų | 102.4 | 74% | 0.737 | 54% | 0.544 | S | S | * | . | trans | -67.6 | 103.4 | -176.3 | -138.5 | -88.4 | 0 | 0 | 0 | 103.9 | P82 S86 | P82-F84 HydrophobicContact CB-CD2 4.45Å; P82-F84 PolarHBondContact O-N 2.74Å; F84-S86 VanDerWaalsContact C-N 3.35Å; F84-S86 PolarHBondContact O-N 3.36Å | ||
| 85 | C | 61.9 | Low | 61.8 | Low | 20 Ų | 20 | 99.9 Ų | 99.9 | 14% | 0.135 | 53% | 0.529 | C | S | . | . | trans | -64.1 | 106.8 | 168.7 | -175.1 | 0 | 0 | 0 | 0 | 105.8 | Q83 N87 L91 V271 | Q83-C85 VanDerWaalsContact C-N 3.34Å; Q83-C85 PolarHBondContact O-N 3.11Å; C85-N87 PolarHBondContact O-N 3.43Å; C85-N87 VanDerWaalsContact O-N 3.12Å; C85-L91 HydrophobicContact CB-CD2 4.02Å; C85-L91 HydrophobicContact CB-CG 4.21Å; C85-L91 WeakPolarHBondContact O-CD1 3.36Å; C85-V271 HydrophobicContact CB-CB 3.73Å; C85-V271 HydrophobicContact CB-CG1 4Å; C85-V271 HydrophobicContact CB-CG2 3.76Å | ||
| 86 | S | 66.3 | Low | 64.7 | Low | 115 Ų | 115 | 93.1 Ų | 93.1 | 80% | 0.804 | 51% | 0.509 | S | S | * | . | trans | -68.3 | -7.3 | 179.5 | -34.6 | 0 | 0 | 0 | 0 | 112.4 | F84 P88 | F84-S86 VanDerWaalsContact C-N 3.35Å; F84-S86 PolarHBondContact O-N 3.36Å; S86-P88 VanDerWaalsContact O-CD 3.24Å; S86-P88 WeakPolarHBondContact O-CD 3.31Å | ||
| 87 | N | 82.6 | Confident | 67.9 | Low | 59 Ų | 59 | 88.7 Ų | 88.7 | 32% | 0.316 | 48% | 0.48 | S | S | . | . | trans | -90.9 | 106 | -177.7 | -171.7 | -24.2 | 0 | 0 | 0 | 110.5 | C85 E89 I90 L91 | C85-N87 PolarHBondContact O-N 3.43Å; C85-N87 VanDerWaalsContact O-N 3.12Å; N87-E89 VanDerWaalsContact C-N 3.27Å; N87-E89 PolarHBondContact O-N 3.13Å; N87-E89 WeakPolarHBondContact OD1-CB 3.46Å; N87-E89 PolarHBondContact OD1-N 2.92Å; N87-I90 HydrophobicContact CB-CB 4.27Å; N87-I90 HydrophobicContact CB-CD1 3.94Å; N87-I90 HydrophobicContact CB-CG1 4.09Å; N87-I90 PolarHBondContact O-N 2.82Å; N87-I90 PolarHBondContact OD1-N 3.37Å; N87-L91 PolarHBondContact O-N 3.47Å | ||
| 88 | P | 86 | Confident | 70.9 | Confident | 81 Ų | 81 | 82 Ų | 82 | 53% | 0.526 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.6 | -27.2 | -179.2 | 28.9 | -35.7 | 0 | 0 | 0 | 112.9 | S86 L91 N92 | S86-P88 VanDerWaalsContact O-CD 3.24Å; S86-P88 WeakPolarHBondContact O-CD 3.31Å; P88-L91 PolarHBondContact O-N 3.25Å; P88-N92 WeakPolarHBondContact O-CB 3.48Å; P88-N92 PolarHBondContact O-N 3.03Å; P88-N92 PolarHBondContact O-ND2 3.47Å |
| 89 | E | 88.2 | Confident | 73.9 | Confident | 150 Ų | 150 | 79.4 Ų | 79.4 | 70% | 0.701 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.6 | -43.5 | 178.8 | -59.5 | -179.6 | 171.7 | 0 | 0 | 110.8 | N87 N92 F93 | N87-E89 VanDerWaalsContact C-N 3.27Å; N87-E89 PolarHBondContact O-N 3.13Å; N87-E89 WeakPolarHBondContact OD1-CB 3.46Å; N87-E89 PolarHBondContact OD1-N 2.92Å; E89-N92 PolarHBondContact O-N 3Å; E89-F93 WeakPolarHBondContact O-CB 3.34Å; E89-F93 PolarHBondContact O-N 3.48Å |
| 90 | I | 88 | Confident | 76.9 | Confident | 20 Ų | 20 | 76 Ų | 76 | 10% | 0.103 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.3 | -47 | 175.9 | -64.5 | 178 | 0 | 0 | 0 | 109.6 | N87 N92 F93 L94 S274 V279 | N87-I90 HydrophobicContact CB-CB 4.27Å; N87-I90 HydrophobicContact CB-CD1 3.94Å; N87-I90 HydrophobicContact CB-CG1 4.09Å; N87-I90 PolarHBondContact O-N 2.82Å; N87-I90 PolarHBondContact OD1-N 3.37Å; I90-N92 VanDerWaalsContact C-N 3.35Å; I90-N92 PolarHBondContact O-N 3.2Å; I90-F93 PolarHBondContact O-N 3.26Å; I90-L94 HydrophobicContact CG2-CD1 3.79Å; I90-L94 HydrophobicContact CG2-CG 4.09Å; I90-L94 WeakPolarHBondContact O-CB 3.44Å; I90-L94 VanDerWaalsContact O-CG 3.23Å; I90-L94 WeakPolarHBondContact O-CG 3.48Å; I90-L94 PolarHBondContact O-N 2.81Å; I90-S274 WeakPolarHBondContact CD1-OG 3.25Å; I90-V279 HydrophobicContact CG2-CG1 4.41Å |
| 91 | L | 87.4 | Confident | 79.8 | Confident | 57 Ų | 57 | 69.9 Ų | 69.9 | 30% | 0.298 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 178.9 | -70.2 | 177.2 | 0 | 0 | 0 | 112.5 | C85 N87 P88 L94 S95 L269 V271 | C85-L91 HydrophobicContact CB-CD2 4.02Å; C85-L91 HydrophobicContact CB-CG 4.21Å; C85-L91 WeakPolarHBondContact O-CD1 3.36Å; N87-L91 PolarHBondContact O-N 3.47Å; P88-L91 PolarHBondContact O-N 3.25Å; L91-L94 PolarHBondContact O-N 2.74Å; L91-S95 VanDerWaalsContact O-CB 3.25Å; L91-S95 WeakPolarHBondContact O-CB 3.48Å; L91-S95 PolarHBondContact O-N 3.3Å; L91-L269 HydrophobicContact CD2-CD2 4.45Å; L91-V271 HydrophobicContact CD2-CG2 3.96Å |
| 92 | N | 90.3 | Very high | 82.5 | Confident | 114 Ų | 114 | 63.1 Ų | 63.1 | 61% | 0.61 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.6 | -45.1 | 176.4 | -74 | -23.1 | 0 | 0 | 0 | 111.8 | P88 E89 I90 S95 A96 | P88-N92 WeakPolarHBondContact O-CB 3.48Å; P88-N92 PolarHBondContact O-N 3.03Å; P88-N92 PolarHBondContact O-ND2 3.47Å; E89-N92 PolarHBondContact O-N 3Å; I90-N92 VanDerWaalsContact C-N 3.35Å; I90-N92 PolarHBondContact O-N 3.2Å; N92-S95 PolarHBondContact O-N 2.93Å; N92-A96 WeakPolarHBondContact O-CB 3.41Å; N92-A96 PolarHBondContact O-N 3.42Å |
| 93 | F | 92 | Very high | 84.9 | Confident | 71 Ų | 71 | 63.3 Ų | 63.3 | 31% | 0.311 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.5 | -49.9 | 175.3 | 164.9 | -104.3 | 0 | 0 | 0 | 111.7 | E89 I90 A96 F97 Q329 | E89-F93 WeakPolarHBondContact O-CB 3.34Å; E89-F93 PolarHBondContact O-N 3.48Å; I90-F93 PolarHBondContact O-N 3.26Å; F93-A96 PolarHBondContact O-N 3.42Å; F93-F97 VanDerWaalsContact O-CB 3.26Å; F93-F97 WeakPolarHBondContact O-CB 3.45Å; F93-F97 PolarHBondContact O-N 3.48Å; F93-Q329 WeakPolarHBondContact CZ-O 3.16Å |
| 94 | L | 93 | Very high | 87.3 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.9 | -39.7 | -178.8 | -64.4 | 178.3 | 0 | 0 | 0 | 112 | I90 L91 F97 V98 L269 V271 V279 M281 L327 | I90-L94 HydrophobicContact CG2-CD1 3.79Å; I90-L94 HydrophobicContact CG2-CG 4.09Å; I90-L94 WeakPolarHBondContact O-CB 3.44Å; I90-L94 VanDerWaalsContact O-CG 3.23Å; I90-L94 WeakPolarHBondContact O-CG 3.48Å; I90-L94 PolarHBondContact O-N 2.81Å; L91-L94 PolarHBondContact O-N 2.74Å; L94-F97 WeakPolarHBondContact O-CB 3.48Å; L94-F97 PolarHBondContact O-N 2.88Å; L94-V98 WeakPolarHBondContact O-CB 3.2Å; L94-V98 WeakPolarHBondContact O-CG2 3.34Å; L94-V98 PolarHBondContact O-N 3.16Å; L94-L269 HydrophobicContact CB-CD1 4Å; L94-L269 HydrophobicContact CB-CD2 4.17Å; L94-L269 HydrophobicContact CD1-CD2 4.11Å; L94-V271 HydrophobicContact CD1-CG2 3.5Å; L94-V271 VanDerWaalsContact CD1-CG2 3.5Å; L94-V279 HydrophobicContact CD1-CG1 3.93Å; L94-V279 HydrophobicContact CD2-CG1 4.2Å; L94-M281 HydrophobicContact CB-SD 4.1Å; L94-M281 HydrophobicContact CD1-CB 4.33Å; L94-M281 HydrophobicContact CD1-SD 4.12Å; L94-M281 HydrophobicContact CD2-SD 3.74Å; L94-M281 HydrophobicContact CG-SD 4.19Å; L94-L327 HydrophobicContact CD2-CD1 4.37Å |
| 95 | S | 91.9 | Very high | 89.3 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 37% | 0.371 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 175.7 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | L91 N92 F97 V98 N99 | L91-S95 VanDerWaalsContact O-CB 3.25Å; L91-S95 WeakPolarHBondContact O-CB 3.48Å; L91-S95 PolarHBondContact O-N 3.3Å; N92-S95 PolarHBondContact O-N 2.93Å; S95-F97 VanDerWaalsContact C-N 3.35Å; S95-F97 PolarHBondContact O-N 2.89Å; S95-V98 PolarHBondContact O-N 3.48Å; S95-N99 WeakPolarHBondContact O-CB 3.21Å; S95-N99 PolarHBondContact O-N 3.48Å; S95-N99 PolarHBondContact O-ND2 2.94Å |
| 96 | A | 93.2 | Very high | 90.8 | Very high | 50 Ų | 50 | 49.5 Ų | 49.5 | 41% | 0.413 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N92 F93 N100 | N92-A96 WeakPolarHBondContact O-CB 3.41Å; N92-A96 PolarHBondContact O-N 3.42Å; F93-A96 PolarHBondContact O-N 3.42Å; A96-N100 WeakPolarHBondContact O-CB 3.45Å; A96-N100 VanDerWaalsContact O-CG 3.26Å; A96-N100 PolarHBondContact O-N 3.38Å; A96-N100 PolarHBondContact O-ND2 3.02Å |
| 97 | F | 95.3 | Very high | 92.1 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 8% | 0.075 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.1 | -53.2 | 176.4 | 173.5 | -87.5 | 0 | 0 | 0 | 111.8 | F93 L94 S95 N99 N100 Y101 F117 M281 L325 L327 G331 I333 | F93-F97 VanDerWaalsContact O-CB 3.26Å; F93-F97 WeakPolarHBondContact O-CB 3.45Å; F93-F97 PolarHBondContact O-N 3.48Å; L94-F97 WeakPolarHBondContact O-CB 3.48Å; L94-F97 PolarHBondContact O-N 2.88Å; S95-F97 VanDerWaalsContact C-N 3.35Å; S95-F97 PolarHBondContact O-N 2.89Å; F97-N99 PolarHBondContact O-N 3.48Å; F97-N100 PolarHBondContact O-N 3.34Å; F97-Y101 WeakPolarHBondContact O-CB 3.44Å; F97-Y101 PolarHBondContact O-N 3.27Å; F97-F117 HydrophobicContact CD2-CD1 4.29Å; F97-F117 AromaticContact CE2-CD1 3.61Å; F97-F117 HydrophobicContact CE2-CD1 3.61Å; F97-F117 HydrophobicContact CE2-CE1 4.35Å; F97-F117 AromaticContact CZ-CD1 3.92Å; F97-F117 HydrophobicContact CZ-CD1 3.92Å; F97-M281 HydrophobicContact CD1-CE 3.96Å; F97-M281 HydrophobicContact CE1-CE 4.07Å; F97-L325 HydrophobicContact CE1-CD2 4.31Å; F97-L327 HydrophobicContact CD1-CD2 4.03Å; F97-L327 HydrophobicContact CD2-CD2 4.32Å; F97-L327 HydrophobicContact CE1-CD2 3.41Å; F97-L327 VanDerWaalsContact CE1-CD2 3.41Å; F97-L327 HydrophobicContact CE2-CD2 3.71Å; F97-L327 HydrophobicContact CG-CD2 4.46Å; F97-L327 HydrophobicContact CZ-CD2 3.24Å; F97-G331 WeakPolarHBondContact CE2-O 3.48Å; F97-I333 HydrophobicContact CE1-CD1 4.49Å; F97-I333 HydrophobicContact CE1-CG1 4.46Å; F97-I333 HydrophobicContact CZ-CD1 3.85Å; F97-I333 HydrophobicContact CZ-CG1 3.72Å |
| 98 | V | 94.5 | Very high | 92.3 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -46 | -178.4 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | L94 S95 N100 Y101 I102 L269 M281 Y283 | L94-V98 WeakPolarHBondContact O-CB 3.2Å; L94-V98 WeakPolarHBondContact O-CG2 3.34Å; L94-V98 PolarHBondContact O-N 3.16Å; S95-V98 PolarHBondContact O-N 3.48Å; V98-N100 VanDerWaalsContact C-N 3.34Å; V98-N100 PolarHBondContact O-N 3.43Å; V98-Y101 PolarHBondContact O-N 3.19Å; V98-I102 HydrophobicContact CG1-CG1 4.1Å; V98-I102 WeakPolarHBondContact O-CB 3.35Å; V98-I102 VanDerWaalsContact O-CG1 3.26Å; V98-I102 WeakPolarHBondContact O-CG1 3.34Å; V98-I102 PolarHBondContact O-N 3.33Å; V98-L269 HydrophobicContact CB-CD1 4.4Å; V98-L269 HydrophobicContact CG2-CD1 3.84Å; V98-M281 HydrophobicContact CG2-CE 3.28Å; V98-M281 HydrophobicContact CG2-SD 4.1Å; V98-Y283 HydrophobicContact CG1-CD1 4.05Å; V98-Y283 HydrophobicContact CG1-CD2 3.67Å; V98-Y283 HydrophobicContact CG1-CE1 4Å; V98-Y283 HydrophobicContact CG1-CE2 3.65Å; V98-Y283 HydrophobicContact CG1-CG 3.87Å |
| 99 | N | 93.6 | Very high | 92.4 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 179.1 | -77.6 | -49.9 | 0 | 0 | 0 | 111.9 | S95 F97 N103 | S95-N99 WeakPolarHBondContact O-CB 3.21Å; S95-N99 PolarHBondContact O-N 3.48Å; S95-N99 PolarHBondContact O-ND2 2.94Å; F97-N99 PolarHBondContact O-N 3.48Å; N99-N103 VanDerWaalsContact O-CB 3.29Å; N99-N103 WeakPolarHBondContact O-CB 3.18Å; N99-N103 PolarHBondContact O-N 2.89Å; N99-N103 PolarHBondContact O-ND2 2.89Å; N99-N103 VanDerWaalsContact O-ND2 3.07Å |
| 100 | N | 95.2 | Very high | 92.6 | Very high | 91 Ų | 91 | 45.2 Ų | 45.2 | 49% | 0.487 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65 | -43.8 | 176.3 | -73 | -18.4 | 0 | 0 | 0 | 112.2 | A96 F97 V98 N103 V104 F117 | A96-N100 WeakPolarHBondContact O-CB 3.45Å; A96-N100 VanDerWaalsContact O-CG 3.26Å; A96-N100 PolarHBondContact O-N 3.38Å; A96-N100 PolarHBondContact O-ND2 3.02Å; F97-N100 PolarHBondContact O-N 3.34Å; V98-N100 VanDerWaalsContact C-N 3.34Å; V98-N100 PolarHBondContact O-N 3.43Å; N100-N103 WeakPolarHBondContact O-CB 3.38Å; N100-N103 PolarHBondContact O-N 2.88Å; N100-V104 WeakPolarHBondContact O-CG2 3.29Å; N100-V104 PolarHBondContact O-N 3.49Å; N100-V104 VanDerWaalsContact O-N 3.15Å; N100-F117 HydrophobicContact CB-CE1 4.24Å; N100-F117 HydrophobicContact CB-CZ 4.28Å |
| 101 | Y | 96.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -48 | 177.5 | 177.8 | -89.8 | 0 | 0 | 0 | 111.5 | F97 V98 V104 F105 L114 F117 Y118 R323 I333 | F97-Y101 WeakPolarHBondContact O-CB 3.44Å; F97-Y101 PolarHBondContact O-N 3.27Å; V98-Y101 PolarHBondContact O-N 3.19Å; Y101-V104 PolarHBondContact O-N 2.84Å; Y101-F105 WeakPolarHBondContact O-CB 3.36Å; Y101-F105 PolarHBondContact O-N 3.42Å; Y101-L114 HydrophobicContact CD2-CD2 3.96Å; Y101-L114 HydrophobicContact CE2-CD2 3.71Å; Y101-F117 HydrophobicContact CD2-CB 4.01Å; Y101-F117 AromaticContact CD2-CD1 3.83Å; Y101-F117 HydrophobicContact CD2-CD1 3.83Å; Y101-F117 HydrophobicContact CD2-CD2 4.37Å; Y101-F117 HydrophobicContact CD2-CE1 4.39Å; Y101-F117 AromaticContact CD2-CG 3.82Å; Y101-F117 HydrophobicContact CD2-CG 3.82Å; Y101-F117 HydrophobicContact CE2-CB 4.4Å; Y101-F117 HydrophobicContact CG-CD1 4.43Å; Y101-Y118 HydrophobicContact CE2-CE2 4.05Å; Y101-Y118 PolarHBondContact OH-OH 3.16Å; Y101-R323 PolarHBondContact OH-NH1 2.77Å; Y101-I333 HydrophobicContact CD2-CD1 4.19Å; Y101-I333 HydrophobicContact CE2-CD1 3.93Å |
| 102 | I | 95.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.4 | -38.5 | 179.4 | -65.5 | -60.2 | 0 | 0 | 0 | 111.7 | V98 V104 F105 D106 H260 Y283 | V98-I102 HydrophobicContact CG1-CG1 4.1Å; V98-I102 WeakPolarHBondContact O-CB 3.35Å; V98-I102 VanDerWaalsContact O-CG1 3.26Å; V98-I102 WeakPolarHBondContact O-CG1 3.34Å; V98-I102 PolarHBondContact O-N 3.33Å; I102-V104 VanDerWaalsContact C-N 3.27Å; I102-V104 PolarHBondContact O-N 2.99Å; I102-F105 PolarHBondContact O-N 3.24Å; I102-F105 VanDerWaalsContact O-N 3.14Å; I102-D106 WeakPolarHBondContact CG2-OD2 3.36Å; I102-D106 WeakPolarHBondContact O-CB 3.35Å; I102-D106 VanDerWaalsContact O-CG 3.25Å; I102-D106 PolarHBondContact O-N 3.5Å; I102-H260 HydrophobicContact CG2-CB 3.58Å; I102-Y283 HydrophobicContact CD1-CE1 3.92Å; I102-Y283 HydrophobicContact CG1-CE1 4Å |
| 103 | N | 93.6 | Very high | 93 | Very high | 68 Ų | 68 | 47.7 Ų | 47.7 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -54.2 | -43.8 | 172 | -82.3 | -32.9 | 0 | 0 | 0 | 112.4 | N99 N100 R262 | N99-N103 VanDerWaalsContact O-CB 3.29Å; N99-N103 WeakPolarHBondContact O-CB 3.18Å; N99-N103 PolarHBondContact O-N 2.89Å; N99-N103 PolarHBondContact O-ND2 2.89Å; N99-N103 VanDerWaalsContact O-ND2 3.07Å; N100-N103 WeakPolarHBondContact O-CB 3.38Å; N100-N103 PolarHBondContact O-N 2.88Å; N103-R262 PolarHBondContact OD1-NH1 3.34Å; N103-R262 PolarHBondContact OD1-NH2 2.56Å |
| 104 | V | 95.1 | Very high | 93.1 | Very high | 21 Ų | 21 | 44.3 Ų | 44.3 | 13% | 0.127 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.9 | -37.4 | 178 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | N100 Y101 I102 L110 K113 L114 F117 | N100-V104 WeakPolarHBondContact O-CG2 3.29Å; N100-V104 PolarHBondContact O-N 3.49Å; N100-V104 VanDerWaalsContact O-N 3.15Å; Y101-V104 PolarHBondContact O-N 2.84Å; I102-V104 VanDerWaalsContact C-N 3.27Å; I102-V104 PolarHBondContact O-N 2.99Å; V104-L110 HydrophobicContact CG1-CB 4.12Å; V104-L110 WeakPolarHBondContact CG1-O 3.41Å; V104-K113 HydrophobicContact CG1-CB 3.95Å; V104-L114 HydrophobicContact CB-CD2 4.02Å; V104-L114 HydrophobicContact CG1-CD2 3.66Å; V104-L114 HydrophobicContact CG1-CG 3.83Å; V104-F117 HydrophobicContact CB-CE2 4.39Å; V104-F117 HydrophobicContact CG2-CE2 4.07Å; V104-F117 HydrophobicContact CG2-CZ 4.21Å |
| 105 | F | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.4 | -44.9 | -178.3 | -173.2 | -84 | 0 | 0 | 0 | 113.2 | Y101 I102 V107 R111 L114 L252 L258 H260 W338 | Y101-F105 WeakPolarHBondContact O-CB 3.36Å; Y101-F105 PolarHBondContact O-N 3.42Å; I102-F105 PolarHBondContact O-N 3.24Å; I102-F105 VanDerWaalsContact O-N 3.14Å; F105-V107 PolarHBondContact O-N 3.47Å; F105-R111 PolarHBondContact O-NE 3.23Å; F105-L114 HydrophobicContact CB-CD2 4.38Å; F105-L114 HydrophobicContact CD2-CD1 3.78Å; F105-L114 HydrophobicContact CE2-CD1 4.45Å; F105-L252 HydrophobicContact CE2-CB 4.34Å; F105-L252 HydrophobicContact CE2-CD2 4.11Å; F105-L258 HydrophobicContact CE1-CB 4.24Å; F105-L258 HydrophobicContact CE1-CD1 4.24Å; F105-H260 AromaticContact CD1-CE1 3.55Å; F105-H260 AromaticContact CE1-CE1 3.87Å; F105-W338 HydrophobicContact CE1-CH2 4.08Å; F105-W338 AromaticContact CE2-CH2 3.71Å; F105-W338 HydrophobicContact CE2-CH2 3.71Å; F105-W338 AromaticContact CE2-CZ3 3.78Å; F105-W338 HydrophobicContact CE2-CZ3 3.78Å; F105-W338 AromaticContact CZ-CH2 3.34Å; F105-W338 HydrophobicContact CZ-CH2 3.34Å; F105-W338 HydrophobicContact CZ-CZ2 4.32Å; F105-W338 AromaticContact CZ-CZ3 3.91Å; F105-W338 HydrophobicContact CZ-CZ3 3.91Å |
| 106 | D | 94.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.6 | -28.8 | -175.6 | -69.3 | -9.5 | 0 | 0 | 0 | 111.8 | I102 H260 R262 F362 | I102-D106 WeakPolarHBondContact CG2-OD2 3.36Å; I102-D106 WeakPolarHBondContact O-CB 3.35Å; I102-D106 VanDerWaalsContact O-CG 3.25Å; I102-D106 PolarHBondContact O-N 3.5Å; D106-H260 IonicContact OD1-CE1 3Å; D106-H260 PolarHBondContact OD1-CE1 3.21Å; D106-H260 IonicContact OD1-CG 3.09Å; D106-H260 IonicContact OD1-ND1 3.15Å; D106-H260 PolarHBondContact OD1-ND1 3.09Å; D106-H260 PolarHBondContact OD2-N 3.13Å; D106-R262 IonicContact OD2-NH2 3.48Å; D106-R262 PolarHBondContact OD2-NH2 2.86Å; D106-F362 HydrophobicContact CB-CD2 4.47Å; D106-F362 HydrophobicContact CB-CE2 3.76Å; D106-F362 HydrophobicContact CB-CZ 4.43Å; D106-F362 VanDerWaalsContact O-CZ 3.31Å; D106-F362 WeakPolarHBondContact O-CZ 3.24Å |
| 107 | V | 91.8 | Very high | 93.3 | Very high | 38 Ų | 38 | 48.6 Ų | 48.6 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -95.2 | 101.1 | 177.6 | -174 | 0 | 0 | 0 | 0 | 109.8 | F105 Q109 L110 R111 F362 | F105-V107 PolarHBondContact O-N 3.47Å; V107-Q109 PolarHBondContact O-N 3.25Å; V107-Q109 VanDerWaalsContact O-N 3.07Å; V107-L110 HydrophobicContact CB-CB 4.14Å; V107-L110 HydrophobicContact CB-CD1 3.9Å; V107-L110 HydrophobicContact CB-CG 3.95Å; V107-L110 HydrophobicContact CG1-CB 4.32Å; V107-L110 HydrophobicContact CG1-CD1 4.03Å; V107-L110 HydrophobicContact CG1-CG 3.77Å; V107-L110 HydrophobicContact CG2-CD1 4.3Å; V107-L110 WeakPolarHBondContact O-CA 3.44Å; V107-L110 WeakPolarHBondContact O-CB 3.27Å; V107-L110 PolarHBondContact O-N 3.3Å; V107-R111 PolarHBondContact O-N 2.82Å; V107-F362 HydrophobicContact CG2-CE2 4.25Å |
| 108 | K | 88 | Confident | 93.3 | Very high | 111 Ų | 111 | 48 Ų | 48 | 48% | 0.483 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -46.6 | -43 | -176.8 | -167.9 | 178.3 | -162.6 | 158.1 | 0 | 114.1 | L110 R111 D257 | K108-L110 VanDerWaalsContact C-N 3.27Å; K108-L110 PolarHBondContact O-N 3.36Å; K108-R111 WeakPolarHBondContact O-CB 3.34Å; K108-R111 PolarHBondContact O-N 2.92Å; K108-D257 WeakPolarHBondContact CD-OD1 3.29Å; K108-D257 WeakPolarHBondContact CD-OD2 3.25Å; K108-D257 IonicContact NZ-OD2 3.07Å; K108-D257 PolarHBondContact NZ-OD2 3.27Å |
| 109 | Q | 87.5 | Confident | 93.4 | Very high | 104 Ų | 104 | 49.7 Ų | 49.7 | 49% | 0.486 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -63.8 | -31.5 | 179.3 | -60.6 | 87.6 | -17.4 | 0 | 0 | 112.5 | V107 D416 | V107-Q109 PolarHBondContact O-N 3.25Å; V107-Q109 VanDerWaalsContact O-N 3.07Å; Q109-D416 PolarHBondContact NE2-OD1 3.22Å |
| 110 | L | 92.4 | Very high | 93.4 | Very high | 62 Ų | 62 | 51.8 Ų | 51.8 | 33% | 0.325 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -83.6 | -13.9 | -179.8 | -62 | -175.7 | 0 | 0 | 0 | 113.2 | V104 V107 K108 R112 K113 | V104-L110 HydrophobicContact CG1-CB 4.12Å; V104-L110 WeakPolarHBondContact CG1-O 3.41Å; V107-L110 HydrophobicContact CB-CB 4.14Å; V107-L110 HydrophobicContact CB-CD1 3.9Å; V107-L110 HydrophobicContact CB-CG 3.95Å; V107-L110 HydrophobicContact CG1-CB 4.32Å; V107-L110 HydrophobicContact CG1-CD1 4.03Å; V107-L110 HydrophobicContact CG1-CG 3.77Å; V107-L110 HydrophobicContact CG2-CD1 4.3Å; V107-L110 WeakPolarHBondContact O-CA 3.44Å; V107-L110 WeakPolarHBondContact O-CB 3.27Å; V107-L110 PolarHBondContact O-N 3.3Å; K108-L110 VanDerWaalsContact C-N 3.27Å; K108-L110 PolarHBondContact O-N 3.36Å; L110-R112 PolarHBondContact O-N 3.06Å; L110-K113 HydrophobicContact CD2-CD 4.39Å; L110-K113 VanDerWaalsContact O-CB 3.32Å; L110-K113 WeakPolarHBondContact O-CB 3.28Å; L110-K113 PolarHBondContact O-N 2.96Å |
| 111 | R | 92 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -54.6 | -25.4 | -177.2 | -70.2 | -178 | 178.4 | -179.8 | -1.9 | 114.2 | F105 V107 K108 K113 L114 L249 L252 L255 P256 D257 | F105-R111 PolarHBondContact O-NE 3.23Å; V107-R111 PolarHBondContact O-N 2.82Å; K108-R111 WeakPolarHBondContact O-CB 3.34Å; K108-R111 PolarHBondContact O-N 2.92Å; R111-K113 PolarHBondContact O-N 3.37Å; R111-L114 HydrophobicContact CB-CD1 3.97Å; R111-L114 HydrophobicContact CG-CD1 4.08Å; R111-L114 WeakPolarHBondContact O-CB 3.42Å; R111-L114 VanDerWaalsContact O-CG 3.24Å; R111-L114 WeakPolarHBondContact O-CG 3.38Å; R111-L114 PolarHBondContact O-N 2.62Å; R111-L249 WeakPolarHBondContact O-CD1 3.47Å; R111-L252 PolarHBondContact NH1-O 2.81Å; R111-L255 PolarHBondContact NH1-O 2.69Å; R111-P256 PolarHBondContact NH2-O 3.21Å; R111-D257 IonicContact CZ-OD1 2.67Å; R111-D257 IonicContact NH1-OD1 3.6Å; R111-D257 IonicContact NH2-OD1 3.75Å; R111-D257 PolarHBondContact NH2-OD1 2.97Å |
| 112 | R | 89.5 | Confident | 93.2 | Very high | 137 Ų | 137 | 51.4 Ų | 51.4 | 52% | 0.517 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -57.1 | -30.3 | 172.3 | -66.1 | -175 | -179.6 | 176.6 | 0.6 | 113 | L110 L114 S115 I232 | L110-R112 PolarHBondContact O-N 3.06Å; R112-L114 PolarHBondContact O-N 3.29Å; R112-S115 PolarHBondContact O-OG 2.85Å; R112-I232 HydrophobicContact CG-CD1 4.35Å |
| 113 | K | 93.2 | Very high | 93 | Very high | 105 Ų | 105 | 54 Ų | 54 | 46% | 0.457 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -75.7 | -9 | 176.7 | -58.4 | -175.3 | 178.4 | -177.6 | 0 | 113.1 | V104 L110 R111 S115 E116 | V104-K113 HydrophobicContact CG1-CB 3.95Å; L110-K113 HydrophobicContact CD2-CD 4.39Å; L110-K113 VanDerWaalsContact O-CB 3.32Å; L110-K113 WeakPolarHBondContact O-CB 3.28Å; L110-K113 PolarHBondContact O-N 2.96Å; R111-K113 PolarHBondContact O-N 3.37Å; K113-S115 PolarHBondContact O-N 3.26Å; K113-S115 VanDerWaalsContact O-N 3.17Å; K113-E116 VanDerWaalsContact O-CB 3.3Å; K113-E116 WeakPolarHBondContact O-CB 3.28Å; K113-E116 WeakPolarHBondContact O-CG 3.25Å; K113-E116 PolarHBondContact O-N 3.39Å |
| 114 | L | 94 | Very high | 93 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -60.8 | -25.9 | 176.7 | -67.7 | 169.9 | 0 | 0 | 0 | 112 | Y101 V104 F105 R111 R112 E116 F117 Y118 L249 L252 | Y101-L114 HydrophobicContact CD2-CD2 3.96Å; Y101-L114 HydrophobicContact CE2-CD2 3.71Å; V104-L114 HydrophobicContact CB-CD2 4.02Å; V104-L114 HydrophobicContact CG1-CD2 3.66Å; V104-L114 HydrophobicContact CG1-CG 3.83Å; F105-L114 HydrophobicContact CB-CD2 4.38Å; F105-L114 HydrophobicContact CD2-CD1 3.78Å; F105-L114 HydrophobicContact CE2-CD1 4.45Å; R111-L114 HydrophobicContact CB-CD1 3.97Å; R111-L114 HydrophobicContact CG-CD1 4.08Å; R111-L114 WeakPolarHBondContact O-CB 3.42Å; R111-L114 VanDerWaalsContact O-CG 3.24Å; R111-L114 WeakPolarHBondContact O-CG 3.38Å; R111-L114 PolarHBondContact O-N 2.62Å; R112-L114 PolarHBondContact O-N 3.29Å; L114-E116 PolarHBondContact O-N 3.19Å; L114-E116 VanDerWaalsContact O-N 3.1Å; L114-F117 HydrophobicContact CD2-CD2 4.47Å; L114-F117 WeakPolarHBondContact O-CB 3.34Å; L114-F117 PolarHBondContact O-N 3.07Å; L114-Y118 HydrophobicContact CB-CE2 4.45Å; L114-Y118 WeakPolarHBondContact O-CD2 3.36Å; L114-L249 HydrophobicContact CB-CD1 3.94Å; L114-L252 HydrophobicContact CB-CD1 4.24Å; L114-L252 HydrophobicContact CD1-CB 3.9Å; L114-L252 HydrophobicContact CD1-CD1 3.87Å; L114-L252 HydrophobicContact CD1-CG 4.47Å |
| 115 | S | 91.2 | Very high | 92.7 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 30% | 0.301 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -56.4 | -25.8 | 173.9 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | R112 K113 F117 Y118 | R112-S115 PolarHBondContact O-OG 2.85Å; K113-S115 PolarHBondContact O-N 3.26Å; K113-S115 VanDerWaalsContact O-N 3.17Å; S115-F117 PolarHBondContact O-N 2.85Å; S115-Y118 PolarHBondContact O-N 3.48Å |
| 116 | E | 94.2 | Very high | 92.5 | Very high | 123 Ų | 123 | 50.2 Ų | 50.2 | 58% | 0.575 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -68.7 | -20.1 | 176.8 | -61.2 | 172.4 | -165.1 | 0 | 0 | 112.6 | K113 L114 K332 | K113-E116 VanDerWaalsContact O-CB 3.3Å; K113-E116 WeakPolarHBondContact O-CB 3.28Å; K113-E116 WeakPolarHBondContact O-CG 3.25Å; K113-E116 PolarHBondContact O-N 3.39Å; L114-E116 PolarHBondContact O-N 3.19Å; L114-E116 VanDerWaalsContact O-N 3.1Å; E116-K332 PolarHBondContact O-NZ 2.89Å |
| 117 | F | 96.5 | Very high | 92.2 | Very high | 28 Ų | 28 | 51.8 Ų | 51.8 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -90.9 | -17.7 | -179.8 | -65.4 | -100.6 | 0 | 0 | 0 | 113.1 | F97 N100 Y101 V104 L114 S115 K332 I333 | F97-F117 HydrophobicContact CD2-CD1 4.29Å; F97-F117 AromaticContact CE2-CD1 3.61Å; F97-F117 HydrophobicContact CE2-CD1 3.61Å; F97-F117 HydrophobicContact CE2-CE1 4.35Å; F97-F117 AromaticContact CZ-CD1 3.92Å; F97-F117 HydrophobicContact CZ-CD1 3.92Å; N100-F117 HydrophobicContact CB-CE1 4.24Å; N100-F117 HydrophobicContact CB-CZ 4.28Å; Y101-F117 HydrophobicContact CD2-CB 4.01Å; Y101-F117 AromaticContact CD2-CD1 3.83Å; Y101-F117 HydrophobicContact CD2-CD1 3.83Å; Y101-F117 HydrophobicContact CD2-CD2 4.37Å; Y101-F117 HydrophobicContact CD2-CE1 4.39Å; Y101-F117 AromaticContact CD2-CG 3.82Å; Y101-F117 HydrophobicContact CD2-CG 3.82Å; Y101-F117 HydrophobicContact CE2-CB 4.4Å; Y101-F117 HydrophobicContact CG-CD1 4.43Å; V104-F117 HydrophobicContact CB-CE2 4.39Å; V104-F117 HydrophobicContact CG2-CE2 4.07Å; V104-F117 HydrophobicContact CG2-CZ 4.21Å; L114-F117 HydrophobicContact CD2-CD2 4.47Å; L114-F117 WeakPolarHBondContact O-CB 3.34Å; L114-F117 PolarHBondContact O-N 3.07Å; S115-F117 PolarHBondContact O-N 2.85Å; F117-K332 CarbonylContact O-C 3.49Å; F117-K332 WeakPolarHBondContact O-CA 3.37Å; F117-I333 HydrophobicContact CB-CD1 4.21Å; F117-I333 PolarHBondContact O-N 3.4Å |
| 118 | Y | 96.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 147.1 | -176.5 | -68.5 | -85.1 | 0 | 0 | 0 | 112.1 | Y101 L114 S115 A122 V248 L252 I333 E336 | Y101-Y118 HydrophobicContact CE2-CE2 4.05Å; Y101-Y118 PolarHBondContact OH-OH 3.16Å; L114-Y118 HydrophobicContact CB-CE2 4.45Å; L114-Y118 WeakPolarHBondContact O-CD2 3.36Å; S115-Y118 PolarHBondContact O-N 3.48Å; Y118-A122 HydrophobicContact CD1-CB 3.77Å; Y118-A122 HydrophobicContact CG-CB 4.24Å; Y118-V248 HydrophobicContact CD1-CG1 3.76Å; Y118-V248 HydrophobicContact CD2-CG1 3.82Å; Y118-V248 HydrophobicContact CE1-CG1 3.55Å; Y118-V248 HydrophobicContact CE2-CG1 3.65Å; Y118-V248 HydrophobicContact CG-CG1 3.89Å; Y118-V248 VanDerWaalsContact CZ-CG1 3.5Å; Y118-L252 HydrophobicContact CE2-CD1 3.51Å; Y118-L252 VanDerWaalsContact OH-CD1 3.26Å; Y118-L252 WeakPolarHBondContact OH-CD1 3.49Å; Y118-I333 HydrophobicContact CD1-CB 3.61Å; Y118-I333 HydrophobicContact CD1-CD1 4.03Å; Y118-I333 HydrophobicContact CD1-CG1 4.41Å; Y118-I333 HydrophobicContact CD1-CG2 3.79Å; Y118-I333 HydrophobicContact CE1-CB 3.84Å; Y118-I333 HydrophobicContact CE1-CD1 3.59Å; Y118-I333 HydrophobicContact CE1-CG1 4.33Å; Y118-I333 HydrophobicContact CE1-CG2 3.68Å; Y118-I333 HydrophobicContact CE2-CD1 4.21Å; Y118-I333 HydrophobicContact CG-CB 4.38Å; Y118-E336 PolarHBondContact OH-OE2 3.5Å |
| 119 | D | 95.9 | Very high | 92 | Very high | 43 Ų | 43 | 45.2 Ų | 45.2 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 147.7 | 163.8 | -170.9 | -90.8 | 0 | 0 | 0 | 110.4 | S121 A122 K332 I333 L334 | D119-S121 PolarHBondContact O-N 2.95Å; D119-S121 VanDerWaalsContact O-N 3.1Å; D119-S121 WeakPolarHBondContact OD1-CA 3.46Å; D119-S121 WeakPolarHBondContact OD1-CB 3.48Å; D119-S121 PolarHBondContact OD1-N 2.97Å; D119-S121 PolarHBondContact OD1-OG 3.23Å; D119-A122 HydrophobicContact CB-CB 4.39Å; D119-A122 WeakPolarHBondContact O-CB 3.19Å; D119-A122 PolarHBondContact O-N 3.42Å; D119-K332 HydrophobicContact CB-CB 4.45Å; D119-I333 WeakPolarHBondContact CB-O 3.45Å; D119-I333 PolarHBondContact N-O 3.17Å; D119-L334 HydrophobicContact CB-CD2 3.7Å |
| 120 | P | 93.3 | Very high | 91.9 | Very high | 100 Ų | 100 | 40.3 Ų | 40.3 | 65% | 0.649 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -55.7 | -26.8 | 175 | -27.5 | 36.5 | 0 | 0 | 0 | 114.1 | G244 S245 | P120-G244 WeakPolarHBondContact O-CA 3.41Å; P120-S245 PolarHBondContact O-N 3.1Å |
| 121 | S | 92.7 | Very high | 91.3 | Very high | 88 Ų | 88 | 37.9 Ų | 37.9 | 62% | 0.615 | 19% | 0.193 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 8.8 | 176.6 | 71.1 | 0 | 0 | 0 | 0 | 114.1 | D119 | D119-S121 PolarHBondContact O-N 2.95Å; D119-S121 VanDerWaalsContact O-N 3.1Å; D119-S121 WeakPolarHBondContact OD1-CA 3.46Å; D119-S121 WeakPolarHBondContact OD1-CB 3.48Å; D119-S121 PolarHBondContact OD1-N 2.97Å; D119-S121 PolarHBondContact OD1-OG 3.23Å |
| 122 | A | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 151.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y118 D119 G244 I333 L334 | Y118-A122 HydrophobicContact CD1-CB 3.77Å; Y118-A122 HydrophobicContact CG-CB 4.24Å; D119-A122 HydrophobicContact CB-CB 4.39Å; D119-A122 WeakPolarHBondContact O-CB 3.19Å; D119-A122 PolarHBondContact O-N 3.42Å; A122-G244 WeakPolarHBondContact O-CA 3.43Å; A122-G244 PolarHBondContact O-N 3.07Å; A122-I333 WeakPolarHBondContact CB-O 3.22Å; A122-L334 CarbonylContact C-O 3.57Å; A122-L334 VanDerWaalsContact CA-O 3.29Å; A122-L334 WeakPolarHBondContact CA-O 3.29Å |
| 123 | Y | 91.6 | Very high | 90 | Very high | 55 Ų | 55 | 36.2 Ų | 36.2 | 22% | 0.216 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.4 | -176.4 | 178.9 | -96.3 | 0 | 0 | 0 | 110.6 | T125 E241 C242 R243 L334 Q335 E336 | Y123-T125 HydrophobicContact CD1-CG2 4.44Å; Y123-T125 HydrophobicContact CE1-CG2 3.41Å; Y123-T125 VanDerWaalsContact CE1-CG2 3.41Å; Y123-T125 WeakPolarHBondContact OH-CG2 3.12Å; Y123-E241 HydrophobicContact CD2-CB 4.48Å; Y123-E241 HydrophobicContact CE2-CB 3.48Å; Y123-E241 VanDerWaalsContact CE2-CB 3.48Å; Y123-E241 HydrophobicContact CE2-CG 3.73Å; Y123-E241 WeakPolarHBondContact OH-CB 3.38Å; Y123-E241 VanDerWaalsContact OH-CD 3.3Å; Y123-E241 PolarHBondContact OH-OE2 2.69Å; Y123-C242 WeakPolarHBondContact CA-O 3.42Å; Y123-R243 HydrophobicContact CD2-CG 3.99Å; Y123-R243 HydrophobicContact CE2-CG 4.33Å; Y123-L334 PolarHBondContact N-O 3.27Å; Y123-Q335 HydrophobicContact CD1-CG 4.03Å; Y123-Q335 CarbonylContact O-C 3.51Å; Y123-Q335 VanDerWaalsContact O-CA 3.29Å; Y123-Q335 WeakPolarHBondContact O-CA 3.45Å; Y123-E336 PolarHBondContact O-N 3.12Å |
| 124 | L | 92.9 | Very high | 89 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 128.9 | 177.9 | -173 | 162.5 | 0 | 0 | 0 | 112.5 | F126 C242 V248 L251 L252 E336 | L124-F126 HydrophobicContact CD2-CB 4.14Å; L124-C242 HydrophobicContact CB-CB 4.29Å; L124-C242 PolarHBondContact N-O 2.87Å; L124-C242 PolarHBondContact O-N 2.91Å; L124-V248 HydrophobicContact CB-CG1 4.37Å; L124-V248 HydrophobicContact CB-CG2 3.84Å; L124-V248 HydrophobicContact CD1-CG1 3.84Å; L124-L251 HydrophobicContact CD2-CD2 3.28Å; L124-L252 HydrophobicContact CD1-CD2 3.87Å; L124-L252 HydrophobicContact CD1-CG 4.33Å; L124-E336 VanDerWaalsContact CA-O 3.25Å; L124-E336 WeakPolarHBondContact CA-O 3.38Å; L124-E336 HydrophobicContact CD1-CB 4.4Å; L124-E336 WeakPolarHBondContact CD1-OE2 3.38Å; L124-E336 HydrophobicContact CG-CB 4.22Å |
| 125 | T | 89.9 | Confident | 87.4 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.1 | 164.3 | 78.3 | 0 | 0 | 0 | 0 | 111.5 | Y123 E241 E336 D337 W338 | Y123-T125 HydrophobicContact CD1-CG2 4.44Å; Y123-T125 HydrophobicContact CE1-CG2 3.41Å; Y123-T125 VanDerWaalsContact CE1-CG2 3.41Å; Y123-T125 WeakPolarHBondContact OH-CG2 3.12Å; T125-E241 HydrophobicContact CG2-CB 4.41Å; T125-E336 PolarHBondContact N-O 3.33Å; T125-D337 PolarHBondContact OG1-OD1 3.47Å; T125-W338 PolarHBondContact O-N 3.37Å |
| 126 | F | 90.2 | Very high | 85.9 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.7 | -179.8 | -179.9 | -105.5 | 0 | 0 | 0 | 109 | L124 I128 Y156 F159 A160 V161 L251 L255 W338 V340 | L124-F126 HydrophobicContact CD2-CB 4.14Å; F126-I128 HydrophobicContact CE1-CG2 3.76Å; F126-I128 HydrophobicContact CZ-CG2 3.9Å; F126-Y156 AromaticContact CE1-CD1 3.76Å; F126-Y156 HydrophobicContact CE1-CD1 3.76Å; F126-Y156 HydrophobicContact CE1-CG 4.34Å; F126-Y156 HydrophobicContact CE2-CD1 4.48Å; F126-Y156 AromaticContact CZ-CD1 3.36Å; F126-Y156 HydrophobicContact CZ-CD1 3.36Å; F126-Y156 HydrophobicContact CZ-CE1 4.01Å; F126-Y156 HydrophobicContact CZ-CG 4.23Å; F126-F159 HydrophobicContact CD1-CB 4.2Å; F126-A160 HydrophobicContact CD1-CB 4.21Å; F126-A160 HydrophobicContact CE1-CB 4.38Å; F126-A160 CarbonylContact O-C 3.48Å; F126-A160 WeakPolarHBondContact O-CA 3.24Å; F126-V161 PolarHBondContact O-N 3.31Å; F126-L251 HydrophobicContact CB-CD2 4.01Å; F126-L255 HydrophobicContact CD1-CD2 4.15Å; F126-L255 HydrophobicContact CD2-CD1 4.13Å; F126-L255 HydrophobicContact CD2-CD2 4.46Å; F126-L255 HydrophobicContact CE1-CD2 3.81Å; F126-L255 HydrophobicContact CE2-CD1 4.16Å; F126-L255 HydrophobicContact CE2-CD2 4.13Å; F126-L255 HydrophobicContact CG-CD2 4.5Å; F126-L255 HydrophobicContact CZ-CD2 3.83Å; F126-W338 CarbonylContact C-O 3.59Å; F126-W338 WeakPolarHBondContact CA-O 3.2Å; F126-W338 HydrophobicContact CD2-CB 4.17Å; F126-W338 AromaticContact CD2-CD2 3.75Å; F126-W338 HydrophobicContact CD2-CD2 3.75Å; F126-W338 AromaticContact CD2-CE3 3.91Å; F126-W338 HydrophobicContact CD2-CE3 3.91Å; F126-W338 AromaticContact CD2-CG 3.91Å; F126-W338 HydrophobicContact CD2-CG 3.91Å; F126-W338 AromaticContact CE2-CD2 3.78Å; F126-W338 HydrophobicContact CE2-CD2 3.78Å; F126-W338 AromaticContact CE2-CE2 3.85Å; F126-W338 HydrophobicContact CE2-CE3 4.16Å; F126-W338 HydrophobicContact CE2-CG 4.11Å; F126-W338 HydrophobicContact CE2-CZ2 4.22Å; F126-V340 HydrophobicContact CE2-CG2 3.71Å; F126-V340 HydrophobicContact CZ-CB 4.41Å; F126-V340 HydrophobicContact CZ-CG2 3.9Å |
| 127 | Q | 89.2 | Confident | 84.4 | Confident | 37 Ų | 37 | 33.3 Ų | 33.3 | 17% | 0.173 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 150.5 | -171.9 | -52.7 | -173.9 | 13.8 | 0 | 0 | 110.1 | V161 N162 W338 C339 V340 | Q127-V161 WeakPolarHBondContact CG-O 3.37Å; Q127-N162 WeakPolarHBondContact CA-OD1 3.05Å; Q127-W338 PolarHBondContact N-O 3.18Å; Q127-C339 HydrophobicContact CB-CB 4.26Å; Q127-C339 WeakPolarHBondContact O-CA 3.42Å; Q127-V340 PolarHBondContact O-N 3.22Å |
| 128 | I | 89 | Confident | 82.6 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 145.9 | 172.8 | 61.8 | 178.2 | 0 | 0 | 0 | 112.2 | F126 W153 Y156 E157 A160 N162 L214 V340 | F126-I128 HydrophobicContact CE1-CG2 3.76Å; F126-I128 HydrophobicContact CZ-CG2 3.9Å; I128-W153 HydrophobicContact CB-CE3 4.18Å; I128-W153 HydrophobicContact CB-CZ3 4.07Å; I128-W153 HydrophobicContact CD1-CE3 4.37Å; I128-W153 HydrophobicContact CG2-CE3 4.14Å; I128-W153 HydrophobicContact CG2-CZ3 4Å; I128-Y156 HydrophobicContact CG2-CG 4.27Å; I128-E157 HydrophobicContact CD1-CG 3.81Å; I128-A160 HydrophobicContact CB-CB 4.45Å; I128-A160 HydrophobicContact CD1-CB 3.87Å; I128-A160 HydrophobicContact CG1-CB 3.68Å; I128-A160 HydrophobicContact CG2-CB 4.2Å; I128-N162 PolarHBondContact N-OD1 2.97Å; I128-N162 PolarHBondContact O-ND2 3.15Å; I128-N162 PolarHBondContact O-OD1 3.19Å; I128-L214 HydrophobicContact CD1-CD2 4.31Å; I128-V340 WeakPolarHBondContact CA-O 3.25Å; I128-V340 HydrophobicContact CG2-CB 4.46Å |
| 129 | A | 86.4 | Confident | 81 | Confident | 9 Ų | 9 | 44 Ų | 44 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | trans | -128.4 | 66.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y131 V132 G166 V340 T341 P342 | A129-Y131 PolarHBondContact O-N 3.1Å; A129-V132 HydrophobicContact CB-CB 4.03Å; A129-V132 WeakPolarHBondContact O-CG1 3.44Å; A129-V132 PolarHBondContact O-N 3.07Å; A129-V132 VanDerWaalsContact O-N 3.15Å; A129-G166 VanDerWaalsContact CB-O 3.25Å; A129-G166 WeakPolarHBondContact CB-O 3.35Å; A129-V340 PolarHBondContact N-O 3.01Å; A129-V340 VanDerWaalsContact N-O 3.1Å; A129-T341 HydrophobicContact CB-CG2 3.8Å; A129-P342 WeakPolarHBondContact O-CD 3.46Å | ||
| 130 | P | 84.6 | Confident | 79.5 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.7 | -172.5 | 25.5 | -35.6 | 0 | 0 | 0 | 113.3 | Q150 W153 | P130-Q150 PolarHBondContact O-OE1 3.15Å; P130-W153 HydrophobicContact CB-CB 4.48Å; P130-W153 HydrophobicContact CB-CD2 3.62Å; P130-W153 HydrophobicContact CB-CE3 4.16Å; P130-W153 HydrophobicContact CB-CG 3.76Å; P130-W153 HydrophobicContact CB-CZ2 4.21Å |
| 131 | Y | 80.8 | Confident | 77.9 | Confident | 11 Ų | 11 | 40.1 Ų | 40.1 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 3 | -175.5 | -47.7 | -54.6 | 0 | 0 | 0 | 113.7 | A129 C133 Q134 P147 K148 G167 F168 P169 H210 | A129-Y131 PolarHBondContact O-N 3.1Å; Y131-C133 PolarHBondContact O-N 3.02Å; Y131-Q134 WeakPolarHBondContact O-CB 3.5Å; Y131-Q134 PolarHBondContact O-N 2.8Å; Y131-P147 HydrophobicContact CD1-CB 4.27Å; Y131-P147 HydrophobicContact CD2-CB 4.39Å; Y131-P147 HydrophobicContact CE1-CB 4.11Å; Y131-P147 HydrophobicContact CE2-CB 4.26Å; Y131-P147 HydrophobicContact CG-CB 4.4Å; Y131-K148 WeakPolarHBondContact CE1-O 3.48Å; Y131-G167 WeakPolarHBondContact CB-O 3.45Å; Y131-G167 WeakPolarHBondContact CD2-O 3.32Å; Y131-G167 PolarHBondContact N-O 3.24Å; Y131-F168 AromaticContact CD2-CD2 3.94Å; Y131-F168 HydrophobicContact CD2-CD2 3.94Å; Y131-F168 HydrophobicContact CG-CD2 4.06Å; Y131-F168 HydrophobicContact CG-CE2 4.42Å; Y131-P169 VanDerWaalsContact O-CD 3.24Å; Y131-P169 WeakPolarHBondContact O-CD 3.45Å; Y131-H210 AromaticContact CE2-ND1 3.69Å |
| 132 | V | 78.8 | Confident | 76.7 | Confident | 61 Ų | 61 | 39.8 Ų | 39.8 | 37% | 0.37 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -32.1 | -171.3 | 77.6 | 0 | 0 | 0 | 0 | 113.2 | A129 P169 T341 P342 | A129-V132 HydrophobicContact CB-CB 4.03Å; A129-V132 WeakPolarHBondContact O-CG1 3.44Å; A129-V132 PolarHBondContact O-N 3.07Å; A129-V132 VanDerWaalsContact O-N 3.15Å; V132-P169 HydrophobicContact CG2-CB 4.4Å; V132-T341 HydrophobicContact CG1-CG2 4.47Å; V132-P342 HydrophobicContact CG1-CG 3.91Å |
| 133 | C | 75.8 | Confident | 75.4 | Confident | 41 Ų | 41 | 48 Ų | 48 | 28% | 0.277 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 0.9 | 178.8 | -63.1 | 0 | 0 | 0 | 0 | 113.9 | Y131 S135 P342 | Y131-C133 PolarHBondContact O-N 3.02Å; C133-S135 PolarHBondContact O-N 2.82Å; C133-P342 HydrophobicContact CB-CG 4.04Å |
| 134 | Q | 71.3 | Confident | 74.3 | Confident | 38 Ų | 38 | 49.5 Ų | 49.5 | 18% | 0.178 | 28% | 0.277 | C | S | . | . | trans | -68.8 | 120.5 | 179.3 | -70 | -172.1 | -14.2 | 0 | 0 | 110.3 | Y131 S136 Y145 | Y131-Q134 WeakPolarHBondContact O-CB 3.5Å; Y131-Q134 PolarHBondContact O-N 2.8Å; Q134-S136 PolarHBondContact O-N 3.3Å; Q134-S136 VanDerWaalsContact O-N 3.09Å; Q134-Y145 PolarHBondContact OE1-OH 2.62Å | ||
| 135 | S | 60.6 | Low | 73.2 | Confident | 116 Ų | 116 | 51.2 Ų | 51.2 | 81% | 0.811 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -65.4 | -7.8 | 177.4 | 22.6 | 0 | 0 | 0 | 0 | 113.7 | C133 L137 | C133-S135 PolarHBondContact O-N 2.82Å; S135-L137 VanDerWaalsContact C-N 3.27Å; S135-L137 PolarHBondContact O-N 3.2Å |
| 136 | S | 60.2 | Low | 72.2 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 7% | 0.07 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -77.6 | 10.4 | -172.4 | 61.9 | 0 | 0 | 0 | 0 | 115.7 | Q134 N138 E139 C140 Y145 | Q134-S136 PolarHBondContact O-N 3.3Å; Q134-S136 VanDerWaalsContact O-N 3.09Å; S136-N138 PolarHBondContact O-N 3.38Å; S136-E139 WeakPolarHBondContact O-CA 3.3Å; S136-E139 WeakPolarHBondContact O-CB 3.32Å; S136-E139 PolarHBondContact O-N 2.74Å; S136-C140 PolarHBondContact O-N 3.03Å; S136-C140 VanDerWaalsContact O-N 3.07Å; S136-C140 PolarHBondContact O-SG 3.12Å; S136-Y145 VanDerWaalsContact CB-OH 3.28Å; S136-Y145 WeakPolarHBondContact CB-OH 3.38Å; S136-Y145 VanDerWaalsContact OG-CZ 3.31Å; S136-Y145 PolarHBondContact OG-OH 3.03Å |
| 137 | L | 61.4 | Low | 71.3 | Confident | 46 Ų | 46 | 62 Ų | 62 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -53.2 | -31.4 | 174.6 | -102.1 | 154.9 | 0 | 0 | 0 | 112.4 | S135 C140 P169 P171 L203 | S135-L137 VanDerWaalsContact C-N 3.27Å; S135-L137 PolarHBondContact O-N 3.2Å; L137-C140 WeakPolarHBondContact O-CB 3.22Å; L137-P169 HydrophobicContact CD1-CB 3.93Å; L137-P169 HydrophobicContact CD1-CG 3.77Å; L137-P169 HydrophobicContact CG-CG 4.13Å; L137-P171 HydrophobicContact CD2-CG 4.39Å; L137-L203 HydrophobicContact CD2-CD2 3.9Å |
| 138 | N | 58.3 | Low | 70.5 | Confident | 141 Ų | 141 | 68.3 Ų | 68.3 | 75% | 0.754 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -71.7 | -33.4 | 174.4 | -65.9 | -26.3 | 0 | 0 | 0 | 112.8 | S136 C140 S141 | S136-N138 PolarHBondContact O-N 3.38Å; N138-C140 VanDerWaalsContact C-N 3.32Å; N138-S141 PolarHBondContact O-OG 3.02Å |
| 139 | E | 64.4 | Low | 69.7 | Low | 116 Ų | 116 | 72.6 Ų | 72.6 | 54% | 0.542 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -76.5 | -19 | 178.1 | -58.3 | -179 | 170.9 | 0 | 0 | 112.5 | S136 S141 D142 Y145 | S136-E139 WeakPolarHBondContact O-CA 3.3Å; S136-E139 WeakPolarHBondContact O-CB 3.32Å; S136-E139 PolarHBondContact O-N 2.74Å; E139-S141 PolarHBondContact O-N 2.9Å; E139-D142 WeakPolarHBondContact O-CB 3.31Å; E139-D142 PolarHBondContact O-N 3.25Å; E139-Y145 HydrophobicContact CB-CD2 3.91Å; E139-Y145 HydrophobicContact CB-CE2 4.27Å; E139-Y145 HydrophobicContact CB-CG 4.38Å; E139-Y145 WeakPolarHBondContact OE2-CE2 3.22Å |
| 140 | C | 63.3 | Low | 69.3 | Low | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -61 | -13.1 | 176.8 | -69.3 | 0 | 0 | 0 | 0 | 114.2 | S136 L137 N138 D142 F168 L199 S202 L203 Y206 | S136-C140 PolarHBondContact O-N 3.03Å; S136-C140 VanDerWaalsContact O-N 3.07Å; S136-C140 PolarHBondContact O-SG 3.12Å; L137-C140 WeakPolarHBondContact O-CB 3.22Å; N138-C140 VanDerWaalsContact C-N 3.32Å; C140-D142 VanDerWaalsContact C-N 3.28Å; C140-F168 WeakPolarHBondContact SG-CE1 3.46Å; C140-F168 WeakPolarHBondContact SG-CZ 3.45Å; C140-L199 HydrophobicContact CB-CD1 3.87Å; C140-S202 VanDerWaalsContact O-CB 3.23Å; C140-S202 WeakPolarHBondContact O-CB 3.16Å; C140-S202 PolarHBondContact O-OG 3.32Å; C140-L203 HydrophobicContact CB-CD2 4.31Å; C140-Y206 HydrophobicContact CB-CE2 3.93Å |
| 141 | S | 60.7 | Low | 69.1 | Low | 60 Ų | 60 | 74.3 Ų | 74.3 | 42% | 0.42 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -74.2 | -19.4 | 173.2 | 69.4 | 0 | 0 | 0 | 0 | 113.4 | N138 E139 K198 | N138-S141 PolarHBondContact O-OG 3.02Å; E139-S141 PolarHBondContact O-N 2.9Å; S141-K198 PolarHBondContact O-NZ 3.17Å; S141-K198 VanDerWaalsContact O-NZ 3.11Å |
| 142 | D | 67.3 | Low | 69.3 | Low | 82 Ų | 82 | 74.5 Ų | 74.5 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -80.7 | 134.7 | 170.4 | -169.1 | -2.8 | 0 | 0 | 0 | 110.4 | E139 C140 S144 Y206 | E139-D142 WeakPolarHBondContact O-CB 3.31Å; E139-D142 PolarHBondContact O-N 3.25Å; C140-D142 VanDerWaalsContact C-N 3.28Å; D142-S144 PolarHBondContact OD1-N 2.91Å; D142-S144 PolarHBondContact OD1-OG 2.84Å; D142-S144 PolarHBondContact OD2-OG 2.65Å; D142-Y206 PolarHBondContact O-OH 2.91Å |
| 143 | K | 66.8 | Low | 69.8 | Low | 173 Ų | 173 | 71.7 Ų | 71.7 | 75% | 0.752 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -74.3 | -18.2 | 176.1 | -65.7 | -178.1 | 179.2 | 178.4 | 0 | 112.5 | ||
| 144 | S | 68.4 | Low | 70.1 | Confident | 85 Ų | 85 | 70.9 Ų | 70.9 | 59% | 0.594 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -78.7 | -24.9 | 178.7 | 83.5 | 0 | 0 | 0 | 0 | 112.3 | D142 R146 | D142-S144 PolarHBondContact OD1-N 2.91Å; D142-S144 PolarHBondContact OD1-OG 2.84Å; D142-S144 PolarHBondContact OD2-OG 2.65Å; S144-R146 PolarHBondContact O-N 3.12Å |
| 145 | Y | 69.7 | Low | 70.7 | Confident | 37 Ų | 37 | 71.8 Ų | 71.8 | 15% | 0.145 | 37% | 0.369 | C | S | . | . | trans | -60.8 | 132.1 | -178.4 | -175.6 | -98.5 | 0 | 0 | 0 | 110.4 | Q134 S136 E139 P147 F168 Y206 | Q134-Y145 PolarHBondContact OE1-OH 2.62Å; S136-Y145 VanDerWaalsContact CB-OH 3.28Å; S136-Y145 WeakPolarHBondContact CB-OH 3.38Å; S136-Y145 VanDerWaalsContact OG-CZ 3.31Å; S136-Y145 PolarHBondContact OG-OH 3.03Å; E139-Y145 HydrophobicContact CB-CD2 3.91Å; E139-Y145 HydrophobicContact CB-CE2 4.27Å; E139-Y145 HydrophobicContact CB-CG 4.38Å; E139-Y145 WeakPolarHBondContact OE2-CE2 3.22Å; Y145-P147 HydrophobicContact CE1-CG 4Å; Y145-F168 HydrophobicContact CE1-CE2 4.41Å; Y145-F168 HydrophobicContact CE1-CZ 4.18Å; Y145-Y206 HydrophobicContact CD1-CE1 4.34Å; Y145-Y206 HydrophobicContact CD1-CE2 4.17Å; Y145-Y206 AromaticContact CD1-CZ 3.81Å; Y145-Y206 WeakPolarHBondContact O-CE1 3.22Å; Y145-Y206 PolarHBondContact O-OH 2.75Å | ||
| 146 | R | 69.5 | Low | 72.1 | Confident | 208 Ų | 208 | 66.2 Ų | 66.2 | 79% | 0.785 | 33% | 0.33 | S | S | * | . | trans | -136.1 | 127 | 168.1 | -66.6 | -165.2 | -178.1 | -152.6 | 3.5 | 107.3 | S144 K148 | S144-R146 PolarHBondContact O-N 3.12Å; R146-K148 PolarHBondContact O-N 3.34Å; R146-K148 VanDerWaalsContact O-N 3.12Å | ||
| 147 | P | 70.3 | Confident | 73.3 | Confident | 28 Ų | 28 | 65.8 Ų | 65.8 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 123.2 | 172.4 | -23.3 | 32.2 | 0 | 0 | 0 | 108.8 | Y131 Y145 Y149 F168 Y206 | Y131-P147 HydrophobicContact CD1-CB 4.27Å; Y131-P147 HydrophobicContact CD2-CB 4.39Å; Y131-P147 HydrophobicContact CE1-CB 4.11Å; Y131-P147 HydrophobicContact CE2-CB 4.26Å; Y131-P147 HydrophobicContact CG-CB 4.4Å; Y145-P147 HydrophobicContact CE1-CG 4Å; P147-Y149 PolarHBondContact O-N 3.37Å; P147-F168 HydrophobicContact CB-CD2 4.43Å; P147-F168 HydrophobicContact CB-CE2 4.08Å; P147-F168 HydrophobicContact CG-CD2 3.82Å; P147-F168 HydrophobicContact CG-CE2 3.5Å; P147-F168 VanDerWaalsContact CG-CE2 3.5Å; P147-F168 HydrophobicContact CG-CZ 4.43Å; P147-Y206 HydrophobicContact CG-CD1 4.04Å; P147-Y206 HydrophobicContact CG-CG 4.33Å |
| 148 | K | 72 | Confident | 74.2 | Confident | 169 Ų | 169 | 67.8 Ų | 67.8 | 74% | 0.735 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 134.1 | 177.1 | -71.6 | -175.4 | 179 | -179.6 | 0 | 108.4 | Y131 R146 | Y131-K148 WeakPolarHBondContact CE1-O 3.48Å; R146-K148 PolarHBondContact O-N 3.34Å; R146-K148 VanDerWaalsContact O-N 3.12Å |
| 149 | Y | 72.3 | Confident | 75.4 | Confident | 92 Ų | 92 | 62.9 Ų | 62.9 | 36% | 0.361 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 138.4 | 169.7 | 173.2 | -125.4 | 0 | 0 | 0 | 109.5 | P147 P151 A154 E157 R213 | P147-Y149 PolarHBondContact O-N 3.37Å; Y149-P151 HydrophobicContact CD1-CG 4.11Å; Y149-P151 HydrophobicContact CE1-CB 4.17Å; Y149-P151 HydrophobicContact CE1-CG 4.01Å; Y149-A154 WeakPolarHBondContact OH-CB 3.33Å; Y149-E157 VanDerWaalsContact CE2-OE2 3.3Å; Y149-E157 WeakPolarHBondContact CE2-OE2 3.33Å; Y149-R213 VanDerWaalsContact CE2-CZ 3.45Å; Y149-R213 VanDerWaalsContact CG-NH2 3.34Å |
| 150 | Q | 78.8 | Confident | 76.4 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | trans | -113.2 | 101.8 | 177.8 | -68.4 | -179.8 | -13 | 0 | 0 | 108 | P130 L152 W153 I303 | P130-Q150 PolarHBondContact O-OE1 3.15Å; Q150-L152 PolarHBondContact O-N 3.29Å; Q150-L152 VanDerWaalsContact O-N 3.15Å; Q150-W153 HydrophobicContact CB-CG 4.49Å; Q150-W153 PolarHBondContact O-N 3.2Å; Q150-I303 HydrophobicContact CB-CG2 4.18Å; Q150-I303 VanDerWaalsContact CD-CG2 3.47Å; Q150-I303 HydrophobicContact CG-CG2 3.85Å | ||
| 151 | P | 80.7 | Confident | 77.2 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 25% | 0.247 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -56.6 | -31.1 | -173.3 | -27.9 | 35.8 | 0 | 0 | 0 | 114.6 | Y149 W153 A154 D299 | Y149-P151 HydrophobicContact CD1-CG 4.11Å; Y149-P151 HydrophobicContact CE1-CB 4.17Å; Y149-P151 HydrophobicContact CE1-CG 4.01Å; P151-W153 PolarHBondContact O-N 2.86Å; P151-W153 VanDerWaalsContact O-N 3.14Å; P151-A154 WeakPolarHBondContact O-CB 3.47Å; P151-A154 PolarHBondContact O-N 3.3Å; P151-D299 HydrophobicContact CB-CB 3.91Å; P151-D299 HydrophobicContact CG-CB 3.86Å |
| 152 | L | 85.7 | Confident | 77.9 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -64.1 | -16.7 | 176.1 | -81.2 | 168.2 | 0 | 0 | 0 | 114.3 | Q150 A154 V291 T295 L300 I303 | Q150-L152 PolarHBondContact O-N 3.29Å; Q150-L152 VanDerWaalsContact O-N 3.15Å; L152-A154 VanDerWaalsContact C-N 3.35Å; L152-V291 HydrophobicContact CD1-CG2 4.46Å; L152-V291 HydrophobicContact CD2-CG1 4.25Å; L152-T295 HydrophobicContact CD2-CG2 4.42Å; L152-L300 HydrophobicContact CD1-CD2 3.39Å; L152-L300 HydrophobicContact CG-CD2 4.25Å; L152-I303 HydrophobicContact CB-CD1 4.39Å; L152-I303 HydrophobicContact CD1-CD1 3.1Å; L152-I303 HydrophobicContact CD1-CG1 3.92Å; L152-I303 HydrophobicContact CG-CD1 4.34Å |
| 153 | W | 87.6 | Confident | 77.5 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -87.2 | -5.6 | 172.6 | -67.6 | 88.5 | 0 | 0 | 0 | 113.4 | I128 P130 Q150 P151 T155 Y156 E157 R319 V340 P342 | I128-W153 HydrophobicContact CB-CE3 4.18Å; I128-W153 HydrophobicContact CB-CZ3 4.07Å; I128-W153 HydrophobicContact CD1-CE3 4.37Å; I128-W153 HydrophobicContact CG2-CE3 4.14Å; I128-W153 HydrophobicContact CG2-CZ3 4Å; P130-W153 HydrophobicContact CB-CB 4.48Å; P130-W153 HydrophobicContact CB-CD2 3.62Å; P130-W153 HydrophobicContact CB-CE3 4.16Å; P130-W153 HydrophobicContact CB-CG 3.76Å; P130-W153 HydrophobicContact CB-CZ2 4.21Å; Q150-W153 HydrophobicContact CB-CG 4.49Å; Q150-W153 PolarHBondContact O-N 3.2Å; P151-W153 PolarHBondContact O-N 2.86Å; P151-W153 VanDerWaalsContact O-N 3.14Å; W153-T155 PolarHBondContact O-N 3.29Å; W153-Y156 HydrophobicContact CD2-CD2 4.37Å; W153-Y156 AromaticContact CE3-CD2 3.65Å; W153-Y156 HydrophobicContact CE3-CD2 3.65Å; W153-Y156 HydrophobicContact CE3-CE2 4.28Å; W153-Y156 HydrophobicContact CE3-CG 4.25Å; W153-Y156 HydrophobicContact CZ3-CD2 4.16Å; W153-Y156 HydrophobicContact CZ3-CE2 4.48Å; W153-Y156 PolarHBondContact O-N 3.19Å; W153-E157 WeakPolarHBondContact O-CG 3.36Å; W153-E157 PolarHBondContact O-N 2.85Å; W153-R319 VanDerWaalsContact CE2-NH1 3.25Å; W153-V340 HydrophobicContact CH2-CG1 4Å; W153-V340 HydrophobicContact CZ3-CB 4.32Å; W153-V340 HydrophobicContact CZ3-CG1 3.88Å; W153-P342 HydrophobicContact CZ2-CB 4.22Å; W153-P342 HydrophobicContact CZ2-CG 4.35Å |
| 154 | A | 83.8 | Confident | 77.1 | Confident | 24 Ų | 24 | 52 Ų | 52 | 20% | 0.198 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -53 | -42.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y149 P151 L152 Y156 E157 R158 | Y149-A154 WeakPolarHBondContact OH-CB 3.33Å; P151-A154 WeakPolarHBondContact O-CB 3.47Å; P151-A154 PolarHBondContact O-N 3.3Å; L152-A154 VanDerWaalsContact C-N 3.35Å; A154-Y156 VanDerWaalsContact C-N 3.35Å; A154-Y156 PolarHBondContact O-N 2.73Å; A154-E157 PolarHBondContact O-N 3Å; A154-R158 WeakPolarHBondContact O-CG 3.39Å; A154-R158 PolarHBondContact O-N 3.2Å |
| 155 | T | 83.2 | Confident | 76.4 | Confident | 57 Ų | 57 | 49.7 Ų | 49.7 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.8 | -42 | -179.2 | -51.5 | 0 | 0 | 0 | 0 | 111.2 | W153 F159 P256 | W153-T155 PolarHBondContact O-N 3.29Å; T155-F159 WeakPolarHBondContact O-CD2 3.46Å; T155-F159 WeakPolarHBondContact O-CE2 3.38Å; T155-P256 HydrophobicContact CG2-CG 3.84Å |
| 156 | Y | 88.7 | Confident | 75.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70 | -40.2 | 175.3 | -60.7 | -70.2 | 0 | 0 | 0 | 112.7 | F126 I128 W153 A154 R158 F159 A160 L255 P256 E289 V340 | F126-Y156 AromaticContact CE1-CD1 3.76Å; F126-Y156 HydrophobicContact CE1-CD1 3.76Å; F126-Y156 HydrophobicContact CE1-CG 4.34Å; F126-Y156 HydrophobicContact CE2-CD1 4.48Å; F126-Y156 AromaticContact CZ-CD1 3.36Å; F126-Y156 HydrophobicContact CZ-CD1 3.36Å; F126-Y156 HydrophobicContact CZ-CE1 4.01Å; F126-Y156 HydrophobicContact CZ-CG 4.23Å; I128-Y156 HydrophobicContact CG2-CG 4.27Å; W153-Y156 HydrophobicContact CD2-CD2 4.37Å; W153-Y156 AromaticContact CE3-CD2 3.65Å; W153-Y156 HydrophobicContact CE3-CD2 3.65Å; W153-Y156 HydrophobicContact CE3-CE2 4.28Å; W153-Y156 HydrophobicContact CE3-CG 4.25Å; W153-Y156 HydrophobicContact CZ3-CD2 4.16Å; W153-Y156 HydrophobicContact CZ3-CE2 4.48Å; W153-Y156 PolarHBondContact O-N 3.19Å; A154-Y156 VanDerWaalsContact C-N 3.35Å; A154-Y156 PolarHBondContact O-N 2.73Å; Y156-R158 PolarHBondContact O-N 2.86Å; Y156-R158 VanDerWaalsContact O-N 3.13Å; Y156-F159 PolarHBondContact O-N 3.25Å; Y156-A160 WeakPolarHBondContact O-CB 3.39Å; Y156-A160 PolarHBondContact O-N 2.98Å; Y156-L255 HydrophobicContact CD1-CD2 4.08Å; Y156-P256 HydrophobicContact CD1-CG 4.18Å; Y156-P256 HydrophobicContact CD2-CG 4.49Å; Y156-P256 HydrophobicContact CE1-CB 4.4Å; Y156-P256 VanDerWaalsContact CE1-CD 3.46Å; Y156-P256 HydrophobicContact CE1-CG 3.67Å; Y156-P256 HydrophobicContact CE2-CG 3.96Å; Y156-E289 VanDerWaalsContact CE2-OE2 3.22Å; Y156-E289 WeakPolarHBondContact CE2-OE2 3.33Å; Y156-E289 VanDerWaalsContact OH-CD 3.23Å; Y156-E289 PolarHBondContact OH-OE2 3.45Å; Y156-V340 HydrophobicContact CE1-CG2 4.49Å |
| 157 | E | 85.8 | Confident | 75.3 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.5 | -29.7 | 179.1 | -74.9 | -171.8 | 165.6 | 0 | 0 | 112.4 | I128 Y149 W153 A154 F159 R213 L214 V217 | I128-E157 HydrophobicContact CD1-CG 3.81Å; Y149-E157 VanDerWaalsContact CE2-OE2 3.3Å; Y149-E157 WeakPolarHBondContact CE2-OE2 3.33Å; W153-E157 WeakPolarHBondContact O-CG 3.36Å; W153-E157 PolarHBondContact O-N 2.85Å; A154-E157 PolarHBondContact O-N 3Å; E157-F159 PolarHBondContact O-N 3.13Å; E157-R213 IonicContact OE1-NE 2.59Å; E157-R213 PolarHBondContact OE1-NE 3Å; E157-R213 VanDerWaalsContact OE1-NE 3.15Å; E157-R213 IonicContact OE2-CZ 2.64Å; E157-R213 IonicContact OE2-NE 2.68Å; E157-R213 PolarHBondContact OE2-NE 3.28Å; E157-R213 IonicContact OE2-NH2 3.58Å; E157-L214 HydrophobicContact CB-CD2 3.81Å; E157-L214 HydrophobicContact CG-CD2 3.79Å; E157-V217 HydrophobicContact CB-CG1 4.04Å |
| 158 | R | 80.7 | Confident | 75.3 | Confident | 88 Ų | 88 | 38 Ų | 38 | 33% | 0.332 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -31.4 | 176.8 | -66.3 | 179 | -176.9 | -171.7 | 2.3 | 113 | A154 Y156 V217 T218 A221 D226 | A154-R158 WeakPolarHBondContact O-CG 3.39Å; A154-R158 PolarHBondContact O-N 3.2Å; Y156-R158 PolarHBondContact O-N 2.86Å; Y156-R158 VanDerWaalsContact O-N 3.13Å; R158-V217 HydrophobicContact CG-CG1 3.98Å; R158-T218 PolarHBondContact O-OG1 3.15Å; R158-A221 HydrophobicContact CB-CB 4.02Å; R158-A221 HydrophobicContact CG-CB 3.84Å; R158-D226 IonicContact NH1-OD2 3.62Å; R158-D226 PolarHBondContact NH1-OD2 3.17Å; R158-D226 VanDerWaalsContact NH1-OD2 3.07Å |
| 159 | F | 83.4 | Confident | 75 | Confident | 37 Ų | 37 | 30.8 Ų | 30.8 | 16% | 0.162 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -15.5 | -172.2 | -54.7 | -65.5 | 0 | 0 | 0 | 113.9 | F126 T155 Y156 E157 L251 R254 L255 | F126-F159 HydrophobicContact CD1-CB 4.2Å; T155-F159 WeakPolarHBondContact O-CD2 3.46Å; T155-F159 WeakPolarHBondContact O-CE2 3.38Å; Y156-F159 PolarHBondContact O-N 3.25Å; E157-F159 PolarHBondContact O-N 3.13Å; F159-L251 HydrophobicContact CB-CD1 3.4Å; F159-L251 HydrophobicContact CD1-CD1 3.68Å; F159-L251 HydrophobicContact CD2-CD1 4.21Å; F159-L251 HydrophobicContact CG-CD1 3.49Å; F159-L251 VanDerWaalsContact CG-CD1 3.49Å; F159-R254 HydrophobicContact CE1-CB 4.15Å; F159-R254 HydrophobicContact CE2-CB 4Å; F159-R254 HydrophobicContact CZ-CB 3.54Å; F159-R254 HydrophobicContact CZ-CG 4.33Å; F159-L255 HydrophobicContact CD2-CD2 3.98Å |
| 160 | A | 86.3 | Confident | 75.1 | Confident | 2 Ų | 2 | 27.3 Ų | 27.3 | 2% | 0.017 | 16% | 0.16 | C | C | . | . | trans | -69.9 | 139.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F126 I128 Y156 L214 | F126-A160 HydrophobicContact CD1-CB 4.21Å; F126-A160 HydrophobicContact CE1-CB 4.38Å; F126-A160 CarbonylContact O-C 3.48Å; F126-A160 WeakPolarHBondContact O-CA 3.24Å; I128-A160 HydrophobicContact CB-CB 4.45Å; I128-A160 HydrophobicContact CD1-CB 3.87Å; I128-A160 HydrophobicContact CG1-CB 3.68Å; I128-A160 HydrophobicContact CG2-CB 4.2Å; Y156-A160 WeakPolarHBondContact O-CB 3.39Å; Y156-A160 PolarHBondContact O-N 2.98Å; A160-L214 HydrophobicContact CB-CD1 4.36Å; A160-L214 HydrophobicContact CB-CD2 4.22Å | ||
| 161 | V | 79.4 | Confident | 74.8 | Confident | 14 Ų | 14 | 28.5 Ų | 28.5 | 9% | 0.085 | 17% | 0.169 | C | C | . | . | trans | -126.6 | 82.2 | -179.7 | -174 | 0 | 0 | 0 | 0 | 107.6 | F126 Q127 S163 M240 | F126-V161 PolarHBondContact O-N 3.31Å; Q127-V161 WeakPolarHBondContact CG-O 3.37Å; V161-S163 PolarHBondContact O-N 3.31Å; V161-M240 HydrophobicContact CB-CE 4.47Å; V161-M240 VanDerWaalsContact CB-O 3.24Å; V161-M240 WeakPolarHBondContact CB-O 3.26Å; V161-M240 HydrophobicContact CG1-CB 3.42Å; V161-M240 VanDerWaalsContact CG1-CB 3.42Å; V161-M240 HydrophobicContact CG1-CE 3.51Å; V161-M240 HydrophobicContact CG1-CG 4.06Å; V161-M240 WeakPolarHBondContact CG1-O 3.5Å; V161-M240 HydrophobicContact CG1-SD 3.88Å; V161-M240 HydrophobicContact CG2-CB 4.41Å; V161-M240 WeakPolarHBondContact CG2-O 3.34Å | ||
| 162 | N | 75.3 | Confident | 74.5 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | trans | -79.3 | 79.1 | 174.2 | -68.4 | 7.1 | 0 | 0 | 0 | 109.2 | Q127 I128 L164 H210 L214 | Q127-N162 WeakPolarHBondContact CA-OD1 3.05Å; I128-N162 PolarHBondContact N-OD1 2.97Å; I128-N162 PolarHBondContact O-ND2 3.15Å; I128-N162 PolarHBondContact O-OD1 3.19Å; N162-L164 PolarHBondContact O-N 2.9Å; N162-H210 PolarHBondContact ND2-NE2 3.36Å; N162-L214 HydrophobicContact CB-CD1 3.82Å | ||
| 163 | S | 59.8 | Low | 74.3 | Confident | 82 Ų | 82 | 34.6 Ų | 34.6 | 57% | 0.573 | 20% | 0.201 | S | C | * | . | trans | -64.6 | -31 | 173.7 | 57.5 | 0 | 0 | 0 | 0 | 111.5 | V161 | V161-S163 PolarHBondContact O-N 3.31Š| ||
| 164 | L | 57 | Low | 74 | Confident | 98 Ų | 98 | 34.5 Ų | 34.5 | 51% | 0.513 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -96.9 | 142.3 | 172.1 | -65.9 | 173.7 | 0 | 0 | 0 | 110.6 | N162 G166 W175 | N162-L164 PolarHBondContact O-N 2.9Å; L164-G166 PolarHBondContact O-N 3.24Å; L164-W175 HydrophobicContact CB-CH2 4.33Å |
| 165 | P | 54.8 | Low | 73.8 | Confident | 36 Ų | 36 | 38.2 Ų | 38.2 | 23% | 0.234 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -66.8 | 85 | 172.6 | 26.3 | -31.2 | 0 | 0 | 0 | 109.7 | L170 W175 Q207 | P165-L170 HydrophobicContact CB-CD1 4.09Å; P165-L170 HydrophobicContact CG-CD1 4.19Å; P165-L170 WeakPolarHBondContact O-CD1 3.07Å; P165-W175 HydrophobicContact CG-CH2 3.63Å; P165-W175 HydrophobicContact CG-CZ3 3.71Å; P165-W175 VanDerWaalsContact O-CH2 3.27Å; P165-W175 WeakPolarHBondContact O-CH2 3.21Å; P165-W175 WeakPolarHBondContact O-CZ2 3.49Å; P165-Q207 VanDerWaalsContact C-CD 3.47Å; P165-Q207 HydrophobicContact CB-CB 4.18Å; P165-Q207 HydrophobicContact CB-CG 3.92Å; P165-Q207 PolarHBondContact O-NE2 2.91Å |
| 166 | G | 52.1 | Low | 73.7 | Confident | 26 Ų | 26 | 41.1 Ų | 41.1 | 27% | 0.268 | 22% | 0.218 | S | C | . | . | trans | -136 | -3.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A129 L164 F168 | A129-G166 VanDerWaalsContact CB-O 3.25Å; A129-G166 WeakPolarHBondContact CB-O 3.35Å; L164-G166 PolarHBondContact O-N 3.24Å; G166-F168 PolarHBondContact O-N 2.74Å | ||
| 167 | G | 63.2 | Low | 73.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -62 | -34.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y131 | Y131-G167 WeakPolarHBondContact CB-O 3.45Å; Y131-G167 WeakPolarHBondContact CD2-O 3.32Å; Y131-G167 PolarHBondContact N-O 3.24Å |
| 168 | F | 69.7 | Low | 73.3 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -106.3 | 144.9 | 170.3 | -151.8 | -97.5 | 0 | 0 | 0 | 110.5 | Y131 C140 Y145 P147 G166 L170 L203 Q207 | Y131-F168 AromaticContact CD2-CD2 3.94Å; Y131-F168 HydrophobicContact CD2-CD2 3.94Å; Y131-F168 HydrophobicContact CG-CD2 4.06Å; Y131-F168 HydrophobicContact CG-CE2 4.42Å; C140-F168 WeakPolarHBondContact SG-CE1 3.46Å; C140-F168 WeakPolarHBondContact SG-CZ 3.45Å; Y145-F168 HydrophobicContact CE1-CE2 4.41Å; Y145-F168 HydrophobicContact CE1-CZ 4.18Å; P147-F168 HydrophobicContact CB-CD2 4.43Å; P147-F168 HydrophobicContact CB-CE2 4.08Å; P147-F168 HydrophobicContact CG-CD2 3.82Å; P147-F168 HydrophobicContact CG-CE2 3.5Å; P147-F168 VanDerWaalsContact CG-CE2 3.5Å; P147-F168 HydrophobicContact CG-CZ 4.43Å; G166-F168 PolarHBondContact O-N 2.74Å; F168-L170 PolarHBondContact O-N 3.44Å; F168-L203 HydrophobicContact CD1-CD2 3.73Å; F168-L203 HydrophobicContact CE1-CD2 3.75Å; F168-Q207 PolarHBondContact O-NE2 2.5Å |
| 169 | P | 67.1 | Low | 73.3 | Confident | 17 Ų | 17 | 45.7 Ų | 45.7 | 11% | 0.11 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 122.1 | 177.2 | 25.4 | -33.3 | 0 | 0 | 0 | 109.8 | Y131 V132 L137 | Y131-P169 VanDerWaalsContact O-CD 3.24Å; Y131-P169 WeakPolarHBondContact O-CD 3.45Å; V132-P169 HydrophobicContact CG2-CB 4.4Å; L137-P169 HydrophobicContact CD1-CB 3.93Å; L137-P169 HydrophobicContact CD1-CG 3.77Å; L137-P169 HydrophobicContact CG-CG 4.13Å |
| 170 | L | 73.6 | Confident | 73.4 | Confident | 19 Ų | 19 | 45.1 Ų | 45.1 | 10% | 0.099 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -98.5 | 118.8 | 166.7 | -67.9 | -178.8 | 0 | 0 | 0 | 108 | P165 F168 A174 W175 L203 Q207 | P165-L170 HydrophobicContact CB-CD1 4.09Å; P165-L170 HydrophobicContact CG-CD1 4.19Å; P165-L170 WeakPolarHBondContact O-CD1 3.07Å; F168-L170 PolarHBondContact O-N 3.44Å; L170-A174 HydrophobicContact CB-CB 4.39Å; L170-A174 HydrophobicContact CD2-CB 4.4Å; L170-W175 HydrophobicContact CB-CD2 4.27Å; L170-W175 HydrophobicContact CB-CG 4.09Å; L170-W175 HydrophobicContact CD1-CD2 4.08Å; L170-W175 HydrophobicContact CD1-CE3 4.36Å; L170-W175 HydrophobicContact CD1-CH2 4.43Å; L170-W175 HydrophobicContact CD1-CZ2 4.15Å; L170-W175 PolarHBondContact O-NE1 2.93Å; L170-L203 HydrophobicContact CD2-CB 3.77Å; L170-L203 HydrophobicContact CD2-CD1 4.21Å; L170-L203 HydrophobicContact CD2-CG 4.42Å; L170-Q207 HydrophobicContact CD1-CG 4.5Å; L170-Q207 HydrophobicContact CD2-CG 4.21Å; L170-Q207 HydrophobicContact CG-CG 4.47Å |
| 171 | P | 72.8 | Confident | 73.1 | Confident | 33 Ų | 33 | 49.9 Ų | 49.9 | 21% | 0.214 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 154.3 | 171.5 | 27 | -34 | 0 | 0 | 0 | 109.8 | L137 W173 A174 W175 L203 | L137-P171 HydrophobicContact CD2-CG 4.39Å; P171-W173 HydrophobicContact CG-CD2 4.32Å; P171-W173 VanDerWaalsContact CG-CE2 3.49Å; P171-W173 HydrophobicContact CG-CG 4.46Å; P171-W173 HydrophobicContact CG-CZ2 3.79Å; P171-W173 PolarHBondContact O-N 2.98Å; P171-W173 VanDerWaalsContact O-N 3.13Å; P171-A174 HydrophobicContact CG-CB 3.83Å; P171-A174 WeakPolarHBondContact O-CA 3.21Å; P171-A174 VanDerWaalsContact O-CB 3.32Å; P171-A174 WeakPolarHBondContact O-CB 3.26Å; P171-A174 PolarHBondContact O-N 3.4Å; P171-W175 PolarHBondContact O-N 3.34Å; P171-L203 HydrophobicContact CG-CD1 4.36Å |
| 172 | S | 74.8 | Confident | 73.1 | Confident | 100 Ų | 100 | 54.1 Ų | 54.1 | 70% | 0.699 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -52.5 | -39 | -174.8 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | A174 W175 F176 | S172-A174 VanDerWaalsContact C-N 3.29Å; S172-A174 PolarHBondContact O-N 2.83Å; S172-W175 WeakPolarHBondContact O-CB 3.38Å; S172-W175 PolarHBondContact O-N 2.89Å; S172-F176 WeakPolarHBondContact O-CB 3.45Å; S172-F176 PolarHBondContact O-N 3.44Å |
| 173 | W | 81.9 | Confident | 73.5 | Confident | 81 Ų | 81 | 56.4 Ų | 56.4 | 31% | 0.307 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.3 | -33.6 | 175.6 | 70 | -99.4 | 0 | 0 | 0 | 112.5 | P171 A177 L192 D196 L199 L200 L203 | P171-W173 HydrophobicContact CG-CD2 4.32Å; P171-W173 VanDerWaalsContact CG-CE2 3.49Å; P171-W173 HydrophobicContact CG-CG 4.46Å; P171-W173 HydrophobicContact CG-CZ2 3.79Å; P171-W173 PolarHBondContact O-N 2.98Å; P171-W173 VanDerWaalsContact O-N 3.13Å; W173-A177 WeakPolarHBondContact O-CB 3.45Å; W173-A177 PolarHBondContact O-N 2.79Å; W173-L192 HydrophobicContact CE3-CD1 4.43Å; W173-L192 HydrophobicContact CE3-CD2 4.31Å; W173-L192 HydrophobicContact CZ3-CD1 4.11Å; W173-D196 HydrophobicContact CH2-CB 4.39Å; W173-D196 HydrophobicContact CZ3-CB 4.11Å; W173-L199 HydrophobicContact CH2-CB 4.27Å; W173-L199 HydrophobicContact CH2-CD2 4.1Å; W173-L199 HydrophobicContact CH2-CG 4.11Å; W173-L199 HydrophobicContact CZ2-CD2 3.67Å; W173-L199 HydrophobicContact CZ2-CG 4.11Å; W173-L200 HydrophobicContact CH2-CB 4.26Å; W173-L200 HydrophobicContact CZ3-CB 4.07Å; W173-L200 HydrophobicContact CZ3-CD1 4.46Å; W173-L203 HydrophobicContact CH2-CD1 4.43Å; W173-L203 HydrophobicContact CZ2-CD1 4.38Å |
| 174 | A | 81.1 | Confident | 74.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.7 | -44.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L170 P171 S172 F176 A177 V178 L200 L203 | L170-A174 HydrophobicContact CB-CB 4.39Å; L170-A174 HydrophobicContact CD2-CB 4.4Å; P171-A174 HydrophobicContact CG-CB 3.83Å; P171-A174 WeakPolarHBondContact O-CA 3.21Å; P171-A174 VanDerWaalsContact O-CB 3.32Å; P171-A174 WeakPolarHBondContact O-CB 3.26Å; P171-A174 PolarHBondContact O-N 3.4Å; S172-A174 VanDerWaalsContact C-N 3.29Å; S172-A174 PolarHBondContact O-N 2.83Å; A174-F176 VanDerWaalsContact C-N 3.32Å; A174-F176 PolarHBondContact O-N 3.1Å; A174-A177 PolarHBondContact O-N 2.91Å; A174-V178 VanDerWaalsContact O-CG2 3.28Å; A174-V178 WeakPolarHBondContact O-CG2 3.46Å; A174-V178 PolarHBondContact O-N 2.89Å; A174-L200 HydrophobicContact CB-CD1 3.87Å; A174-L203 HydrophobicContact CB-CD1 4.14Å |
| 175 | W | 78.7 | Confident | 75.8 | Confident | 101 Ų | 101 | 62.3 Ų | 62.3 | 38% | 0.383 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -53.2 | -50.3 | 170.8 | -88 | 116.7 | 0 | 0 | 0 | 112 | L164 P165 L170 P171 S172 A177 V178 K179 | L164-W175 HydrophobicContact CB-CH2 4.33Å; P165-W175 HydrophobicContact CG-CH2 3.63Å; P165-W175 HydrophobicContact CG-CZ3 3.71Å; P165-W175 VanDerWaalsContact O-CH2 3.27Å; P165-W175 WeakPolarHBondContact O-CH2 3.21Å; P165-W175 WeakPolarHBondContact O-CZ2 3.49Å; L170-W175 HydrophobicContact CB-CD2 4.27Å; L170-W175 HydrophobicContact CB-CG 4.09Å; L170-W175 HydrophobicContact CD1-CD2 4.08Å; L170-W175 HydrophobicContact CD1-CE3 4.36Å; L170-W175 HydrophobicContact CD1-CH2 4.43Å; L170-W175 HydrophobicContact CD1-CZ2 4.15Å; L170-W175 PolarHBondContact O-NE1 2.93Å; P171-W175 PolarHBondContact O-N 3.34Å; S172-W175 WeakPolarHBondContact O-CB 3.38Å; S172-W175 PolarHBondContact O-N 2.89Å; W175-A177 VanDerWaalsContact C-N 3.34Å; W175-A177 PolarHBondContact O-N 2.97Å; W175-V178 PolarHBondContact O-N 2.67Å; W175-K179 PolarHBondContact O-N 2.93Å |
| 176 | F | 81.4 | Confident | 77 | Confident | 119 Ų | 119 | 72.3 Ų | 72.3 | 52% | 0.522 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 177.2 | -176.8 | -100.2 | 0 | 0 | 0 | 111.2 | S172 A174 V178 K179 E180 | S172-F176 WeakPolarHBondContact O-CB 3.45Å; S172-F176 PolarHBondContact O-N 3.44Å; A174-F176 VanDerWaalsContact C-N 3.32Å; A174-F176 PolarHBondContact O-N 3.1Å; F176-V178 PolarHBondContact O-N 3.34Å; F176-K179 CarbonylContact O-C 3.59Å; F176-K179 WeakPolarHBondContact O-CB 3.08Å; F176-K179 PolarHBondContact O-N 3.14Å; F176-K179 VanDerWaalsContact O-N 3.15Å; F176-E180 HydrophobicContact CD1-CG 4.02Å; F176-E180 HydrophobicContact CE1-CG 3.62Å; F176-E180 WeakPolarHBondContact CE1-OE1 3.48Å; F176-E180 WeakPolarHBondContact CE1-OE2 3.31Å; F176-E180 HydrophobicContact CE2-CG 4.4Å; F176-E180 HydrophobicContact CZ-CG 3.82Å; F176-E180 WeakPolarHBondContact CZ-OE1 3.29Å; F176-E180 WeakPolarHBondContact O-CG 3.35Å; F176-E180 PolarHBondContact O-N 2.91Å |
| 177 | A | 84.7 | Confident | 78.3 | Confident | 6 Ų | 6 | 76.9 Ų | 76.9 | 5% | 0.05 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | W173 A174 W175 K179 E180 E181 L192 L200 | W173-A177 WeakPolarHBondContact O-CB 3.45Å; W173-A177 PolarHBondContact O-N 2.79Å; A174-A177 PolarHBondContact O-N 2.91Å; W175-A177 VanDerWaalsContact C-N 3.34Å; W175-A177 PolarHBondContact O-N 2.97Å; A177-K179 VanDerWaalsContact C-N 3.35Å; A177-E180 PolarHBondContact O-N 3.33Å; A177-E181 WeakPolarHBondContact O-CG 3.32Å; A177-E181 PolarHBondContact O-N 2.9Å; A177-E181 VanDerWaalsContact O-N 3.15Å; A177-L192 HydrophobicContact CB-CD1 3.72Å; A177-L192 HydrophobicContact CB-CG 4.43Å; A177-L200 HydrophobicContact CB-CD2 3.71Å |
| 178 | V | 81.6 | Confident | 79.2 | Confident | 42 Ų | 42 | 81.9 Ų | 81.9 | 26% | 0.255 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 172.3 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | A174 W175 F176 E181 L200 K204 | A174-V178 VanDerWaalsContact O-CG2 3.28Å; A174-V178 WeakPolarHBondContact O-CG2 3.46Å; A174-V178 PolarHBondContact O-N 2.89Å; W175-V178 PolarHBondContact O-N 2.67Å; F176-V178 PolarHBondContact O-N 3.34Å; V178-E181 PolarHBondContact O-N 3.26Å; V178-L200 HydrophobicContact CG2-CD1 4.06Å; V178-K204 VanDerWaalsContact CG2-CE 3.46Å |
| 179 | K | 81.4 | Confident | 79.6 | Confident | 137 Ų | 137 | 83.2 Ų | 83.2 | 60% | 0.596 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.3 | -39.8 | 178 | -166.6 | -177.5 | 178.4 | 177 | 0 | 112.2 | W175 F176 A177 E181 S182 M183 | W175-K179 PolarHBondContact O-N 2.93Å; F176-K179 CarbonylContact O-C 3.59Å; F176-K179 WeakPolarHBondContact O-CB 3.08Å; F176-K179 PolarHBondContact O-N 3.14Å; F176-K179 VanDerWaalsContact O-N 3.15Å; A177-K179 VanDerWaalsContact C-N 3.35Å; K179-E181 VanDerWaalsContact C-N 3.27Å; K179-E181 PolarHBondContact O-N 3.44Å; K179-S182 PolarHBondContact O-N 2.64Å; K179-S182 PolarHBondContact O-OG 2.87Å; K179-M183 HydrophobicContact CD-CE 4.29Å; K179-M183 HydrophobicContact CG-CE 4.07Å |
| 180 | E | 84.3 | Confident | 80.2 | Confident | 25 Ų | 25 | 88.5 Ų | 88.5 | 12% | 0.117 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64.7 | -30.4 | 176 | -77.2 | -165.3 | 130.9 | 0 | 0 | 112.8 | F176 A177 S182 M183 R188 G189 | F176-E180 HydrophobicContact CD1-CG 4.02Å; F176-E180 HydrophobicContact CE1-CG 3.62Å; F176-E180 WeakPolarHBondContact CE1-OE1 3.48Å; F176-E180 WeakPolarHBondContact CE1-OE2 3.31Å; F176-E180 HydrophobicContact CE2-CG 4.4Å; F176-E180 HydrophobicContact CZ-CG 3.82Å; F176-E180 WeakPolarHBondContact CZ-OE1 3.29Å; F176-E180 WeakPolarHBondContact O-CG 3.35Å; F176-E180 PolarHBondContact O-N 2.91Å; A177-E180 PolarHBondContact O-N 3.33Å; E180-S182 PolarHBondContact O-N 2.77Å; E180-M183 HydrophobicContact CG-SD 4.49Å; E180-M183 WeakPolarHBondContact O-CB 3.27Å; E180-M183 PolarHBondContact O-N 3.27Å; E180-R188 WeakPolarHBondContact O-CG 3.4Å; E180-R188 PolarHBondContact O-NE 2.86Å; E180-G189 VanDerWaalsContact OE1-CA 3.31Å; E180-G189 WeakPolarHBondContact OE1-CA 3.4Å; E180-G189 PolarHBondContact OE1-N 3.4Å |
| 181 | E | 81.3 | Confident | 80.5 | Confident | 101 Ų | 101 | 92.1 Ų | 92.1 | 47% | 0.472 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.5 | -26.3 | 177.8 | -82 | -178.8 | -154.5 | 0 | 0 | 113.5 | A177 V178 K179 R188 K204 | A177-E181 WeakPolarHBondContact O-CG 3.32Å; A177-E181 PolarHBondContact O-N 2.9Å; A177-E181 VanDerWaalsContact O-N 3.15Å; V178-E181 PolarHBondContact O-N 3.26Å; K179-E181 VanDerWaalsContact C-N 3.27Å; K179-E181 PolarHBondContact O-N 3.44Å; E181-R188 PolarHBondContact O-NH2 3.07Å; E181-K204 IonicContact OE1-NZ 3.82Å; E181-K204 PolarHBondContact OE1-NZ 2.94Å; E181-K204 IonicContact OE2-NZ 2.75Å; E181-K204 PolarHBondContact OE2-NZ 2.98Å |
| 182 | S | 79.1 | Confident | 81 | Confident | 103 Ų | 103 | 92.6 Ų | 92.6 | 72% | 0.72 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -84.1 | -11.6 | 172.1 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | K179 E180 | K179-S182 PolarHBondContact O-N 2.64Å; K179-S182 PolarHBondContact O-OG 2.87Å; E180-S182 PolarHBondContact O-N 2.77Å |
| 183 | M | 82.6 | Confident | 81.5 | Confident | 56 Ų | 56 | 90.7 Ų | 90.7 | 28% | 0.276 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -79 | 152 | 178.7 | -63.1 | -176 | -176.6 | 0 | 0 | 112.4 | K179 E180 L187 R188 | K179-M183 HydrophobicContact CD-CE 4.29Å; K179-M183 HydrophobicContact CG-CE 4.07Å; E180-M183 HydrophobicContact CG-SD 4.49Å; E180-M183 WeakPolarHBondContact O-CB 3.27Å; E180-M183 PolarHBondContact O-N 3.27Å; M183-L187 HydrophobicContact CB-CB 4.47Å; M183-R188 PolarHBondContact O-NE 3.15Å; M183-R188 PolarHBondContact O-NH2 3.42Å |
| 184 | P | 83.2 | Confident | 81.8 | Confident | 85 Ų | 85 | 95.8 Ų | 95.8 | 55% | 0.552 | 48% | 0.476 | S | S | * | . | trans | -50.8 | 140 | 166.9 | -26.1 | 33.7 | 0 | 0 | 0 | 111.5 | R186 L187 | P184-R186 PolarHBondContact O-N 2.76Å; P184-L187 HydrophobicContact CG-CD1 4.34Å; P184-L187 PolarHBondContact O-N 2.9Å | ||
| 185 | R | 81.5 | Confident | 81.9 | Confident | 218 Ų | 218 | 103.3 Ų | 103.3 | 82% | 0.823 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -53.5 | -28.7 | -174.9 | -73 | -173.9 | -178.3 | 176.8 | 2.7 | 114.4 | L187 R188 | R185-L187 VanDerWaalsContact C-N 3.31Å; R185-R188 PolarHBondContact O-N 2.68Å |
| 186 | R | 81.5 | Confident | 82.2 | Confident | 247 Ų | 247 | 101.2 Ų | 101.2 | 93% | 0.932 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -70.3 | -25 | -179.7 | -60.2 | -177.7 | -175.8 | 176.8 | 1.5 | 113.3 | P184 | P184-R186 PolarHBondContact O-N 2.76Š|
| 187 | L | 79.4 | Confident | 82.4 | Confident | 121 Ų | 121 | 101.8 Ų | 101.8 | 63% | 0.634 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -96.9 | -3.6 | -179.2 | -62.1 | 178 | 0 | 0 | 0 | 112.9 | M183 P184 R185 | M183-L187 HydrophobicContact CB-CB 4.47Å; P184-L187 HydrophobicContact CG-CD1 4.34Å; P184-L187 PolarHBondContact O-N 2.9Å; R185-L187 VanDerWaalsContact C-N 3.31Å |
| 188 | R | 82.3 | Confident | 82.5 | Confident | 105 Ų | 105 | 106.8 Ų | 106.8 | 40% | 0.396 | 53% | 0.527 | S | S | . | . | trans | -75.6 | 133.1 | 178.8 | -61.7 | -176.6 | -168.2 | -161.3 | -5.1 | 109.5 | E180 E181 M183 R185 | E180-R188 WeakPolarHBondContact O-CG 3.4Å; E180-R188 PolarHBondContact O-NE 2.86Å; E181-R188 PolarHBondContact O-NH2 3.07Å; M183-R188 PolarHBondContact O-NE 3.15Å; M183-R188 PolarHBondContact O-NH2 3.42Å; R185-R188 PolarHBondContact O-N 2.68Å | ||
| 189 | G | 77.1 | Confident | 82.6 | Confident | 32 Ų | 32 | 106.5 Ų | 106.5 | 33% | 0.33 | 52% | 0.523 | S | S | . | . | trans | -63.5 | -179.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E180 S191 | E180-G189 VanDerWaalsContact OE1-CA 3.31Å; E180-G189 WeakPolarHBondContact OE1-CA 3.4Å; E180-G189 PolarHBondContact OE1-N 3.4Å; G189-S191 PolarHBondContact O-N 2.96Å | ||
| 190 | P | 79.2 | Confident | 82.7 | Confident | 128 Ų | 128 | 100.3 Ų | 100.3 | 83% | 0.831 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -55.8 | 136 | 177.4 | 23.2 | -32.4 | 0 | 0 | 0 | 110.7 | L192 | P190-L192 PolarHBondContact O-N 3.48Š|
| 191 | S | 80.7 | Confident | 82.8 | Confident | 94 Ų | 94 | 107.1 Ų | 107.1 | 66% | 0.657 | 53% | 0.526 | S | S | * | . | trans | -59.6 | 131.4 | -178.4 | 67.9 | 0 | 0 | 0 | 0 | 110.8 | G189 R197 | G189-S191 PolarHBondContact O-N 2.96Å; S191-R197 PolarHBondContact OG-NH2 3.02Å | ||
| 192 | L | 83.6 | Confident | 83 | Confident | 44 Ų | 44 | 103.4 Ų | 103.4 | 23% | 0.23 | 51% | 0.511 | C | S | . | . | trans | -45.7 | 150.5 | 174.7 | -72.1 | 179 | 0 | 0 | 0 | 112.6 | W173 A177 P190 D196 R197 L200 | W173-L192 HydrophobicContact CE3-CD1 4.43Å; W173-L192 HydrophobicContact CE3-CD2 4.31Å; W173-L192 HydrophobicContact CZ3-CD1 4.11Å; A177-L192 HydrophobicContact CB-CD1 3.72Å; A177-L192 HydrophobicContact CB-CG 4.43Å; P190-L192 PolarHBondContact O-N 3.48Å; L192-D196 HydrophobicContact CB-CB 4.07Å; L192-D196 HydrophobicContact CD1-CB 4.33Å; L192-D196 HydrophobicContact CD2-CB 4.19Å; L192-D196 HydrophobicContact CG-CB 4.44Å; L192-R197 HydrophobicContact CB-CG 3.72Å; L192-R197 VanDerWaalsContact O-CZ 3.23Å; L192-R197 PolarHBondContact O-NE 3.36Å; L192-R197 PolarHBondContact O-NH2 3.45Å; L192-L200 HydrophobicContact CD1-CD2 3.7Å | ||
| 193 | C | 85.7 | Confident | 83.1 | Confident | 60 Ų | 60 | 98.5 Ų | 98.5 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | trans | -65.4 | 163.7 | 174.3 | 86.7 | 0 | 0 | 0 | 0 | 110.7 | Q195 D196 R197 | C193-Q195 PolarHBondContact O-N 3.49Å; C193-D196 PolarHBondContact O-N 2.84Å; C193-D196 PolarHBondContact SG-N 3.08Å; C193-D196 VanDerWaalsContact SG-N 3.42Å; C193-D196 PolarHBondContact SG-OD2 3.31Å; C193-R197 WeakPolarHBondContact O-CG 3.39Å; C193-R197 PolarHBondContact O-N 2.9Å | ||
| 194 | K | 86.4 | Confident | 83.1 | Confident | 187 Ų | 187 | 98.7 Ų | 98.7 | 81% | 0.813 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.2 | -35.6 | -176.8 | -174.4 | -178.8 | 177 | -174.9 | 0 | 112.5 | K198 | K194-K198 PolarHBondContact O-N 3.12Å |
| 195 | Q | 84.9 | Confident | 83.1 | Confident | 158 Ų | 158 | 96.8 Ų | 96.8 | 74% | 0.738 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.8 | -50.3 | 178.8 | -69.5 | 170.6 | -19.1 | 0 | 0 | 110.6 | C193 R197 K198 L199 | C193-Q195 PolarHBondContact O-N 3.49Å; Q195-R197 VanDerWaalsContact C-N 3.32Å; Q195-R197 PolarHBondContact O-N 3.21Å; Q195-K198 WeakPolarHBondContact O-CA 3.38Å; Q195-K198 WeakPolarHBondContact O-CB 2.94Å; Q195-K198 PolarHBondContact O-N 3.2Å; Q195-L199 PolarHBondContact O-N 3.01Å |
| 196 | D | 83.8 | Confident | 83.1 | Confident | 57 Ų | 57 | 88.1 Ų | 88.1 | 31% | 0.305 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.9 | -38 | 178 | -59.3 | -23.8 | 0 | 0 | 0 | 112.3 | W173 L192 C193 K198 L199 L200 | W173-D196 HydrophobicContact CH2-CB 4.39Å; W173-D196 HydrophobicContact CZ3-CB 4.11Å; L192-D196 HydrophobicContact CB-CB 4.07Å; L192-D196 HydrophobicContact CD1-CB 4.33Å; L192-D196 HydrophobicContact CD2-CB 4.19Å; L192-D196 HydrophobicContact CG-CB 4.44Å; C193-D196 PolarHBondContact O-N 2.84Å; C193-D196 PolarHBondContact SG-N 3.08Å; C193-D196 VanDerWaalsContact SG-N 3.42Å; C193-D196 PolarHBondContact SG-OD2 3.31Å; D196-K198 VanDerWaalsContact C-N 3.31Å; D196-K198 PolarHBondContact O-N 2.8Å; D196-L199 PolarHBondContact O-N 3.46Å; D196-L200 VanDerWaalsContact O-CB 3.24Å; D196-L200 WeakPolarHBondContact O-CB 3.37Å; D196-L200 PolarHBondContact O-N 3.06Å |
| 197 | R | 86.2 | Confident | 83 | Confident | 132 Ų | 132 | 76.7 Ų | 76.7 | 50% | 0.498 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 173.2 | -70.8 | -174.7 | -145.6 | 176.2 | 7.5 | 112.3 | S191 L192 C193 Q195 K201 | S191-R197 PolarHBondContact OG-NH2 3.02Å; L192-R197 HydrophobicContact CB-CG 3.72Å; L192-R197 VanDerWaalsContact O-CZ 3.23Å; L192-R197 PolarHBondContact O-NE 3.36Å; L192-R197 PolarHBondContact O-NH2 3.45Å; C193-R197 WeakPolarHBondContact O-CG 3.39Å; C193-R197 PolarHBondContact O-N 2.9Å; Q195-R197 VanDerWaalsContact C-N 3.32Å; Q195-R197 PolarHBondContact O-N 3.21Å; R197-K201 WeakPolarHBondContact O-CB 3.17Å; R197-K201 PolarHBondContact O-N 2.71Å |
| 198 | K | 86.3 | Confident | 83.1 | Confident | 110 Ų | 110 | 76 Ų | 76 | 48% | 0.478 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66 | -45.9 | 177.1 | -173.6 | -169.6 | 171.9 | -154.7 | 0 | 109.8 | S141 K194 Q195 D196 K201 S202 | S141-K198 PolarHBondContact O-NZ 3.17Å; S141-K198 VanDerWaalsContact O-NZ 3.11Å; K194-K198 PolarHBondContact O-N 3.12Å; Q195-K198 WeakPolarHBondContact O-CA 3.38Å; Q195-K198 WeakPolarHBondContact O-CB 2.94Å; Q195-K198 PolarHBondContact O-N 3.2Å; D196-K198 VanDerWaalsContact C-N 3.31Å; D196-K198 PolarHBondContact O-N 2.8Å; K198-K201 WeakPolarHBondContact O-CB 3.44Å; K198-K201 PolarHBondContact O-N 3.36Å; K198-S202 PolarHBondContact O-N 3.01Å; K198-S202 PolarHBondContact O-OG 3.13Å |
| 199 | L | 83.6 | Confident | 83 | Confident | 36 Ų | 36 | 72.6 Ų | 72.6 | 19% | 0.188 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 178.3 | -178.3 | 57 | 0 | 0 | 0 | 111.9 | C140 W173 Q195 D196 K201 S202 L203 | C140-L199 HydrophobicContact CB-CD1 3.87Å; W173-L199 HydrophobicContact CH2-CB 4.27Å; W173-L199 HydrophobicContact CH2-CD2 4.1Å; W173-L199 HydrophobicContact CH2-CG 4.11Å; W173-L199 HydrophobicContact CZ2-CD2 3.67Å; W173-L199 HydrophobicContact CZ2-CG 4.11Å; Q195-L199 PolarHBondContact O-N 3.01Å; D196-L199 PolarHBondContact O-N 3.46Å; L199-K201 VanDerWaalsContact C-N 3.26Å; L199-K201 PolarHBondContact O-N 3.41Å; L199-S202 WeakPolarHBondContact O-CB 3.06Å; L199-S202 PolarHBondContact O-N 3.32Å; L199-L203 HydrophobicContact CD1-CD1 4.43Å; L199-L203 HydrophobicContact CD1-CG 4.26Å; L199-L203 HydrophobicContact CG-CD1 4.13Å; L199-L203 HydrophobicContact CG-CG 4.42Å; L199-L203 WeakPolarHBondContact O-CG 3.33Å; L199-L203 PolarHBondContact O-N 3.33Å |
| 200 | L | 84.5 | Confident | 83.2 | Confident | 8 Ų | 8 | 71.6 Ų | 71.6 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -56.6 | -41 | 175 | -177.3 | 62.6 | 0 | 0 | 0 | 111.5 | W173 A174 A177 V178 L192 D196 L203 K204 | W173-L200 HydrophobicContact CH2-CB 4.26Å; W173-L200 HydrophobicContact CZ3-CB 4.07Å; W173-L200 HydrophobicContact CZ3-CD1 4.46Å; A174-L200 HydrophobicContact CB-CD1 3.87Å; A177-L200 HydrophobicContact CB-CD2 3.71Å; V178-L200 HydrophobicContact CG2-CD1 4.06Å; L192-L200 HydrophobicContact CD1-CD2 3.7Å; D196-L200 VanDerWaalsContact O-CB 3.24Å; D196-L200 WeakPolarHBondContact O-CB 3.37Å; D196-L200 PolarHBondContact O-N 3.06Å; L200-L203 PolarHBondContact O-N 3.44Å; L200-K204 HydrophobicContact CG-CD 4.34Å; L200-K204 WeakPolarHBondContact O-CB 3.45Å; L200-K204 VanDerWaalsContact O-CG 3.31Å; L200-K204 WeakPolarHBondContact O-CG 3.19Å; L200-K204 PolarHBondContact O-N 2.82Å |
| 201 | K | 86.7 | Confident | 83.3 | Confident | 167 Ų | 167 | 67.7 Ų | 67.7 | 73% | 0.726 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.3 | -42.6 | 175.4 | -171.9 | -179.9 | -180 | 179.8 | 0 | 111.9 | R197 K198 L199 G205 | R197-K201 WeakPolarHBondContact O-CB 3.17Å; R197-K201 PolarHBondContact O-N 2.71Å; K198-K201 WeakPolarHBondContact O-CB 3.44Å; K198-K201 PolarHBondContact O-N 3.36Å; L199-K201 VanDerWaalsContact C-N 3.26Å; L199-K201 PolarHBondContact O-N 3.41Å; K201-G205 PolarHBondContact O-N 3.05Å |
| 202 | S | 83.8 | Confident | 83.3 | Confident | 23 Ų | 23 | 69.2 Ų | 69.2 | 16% | 0.161 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.5 | -49.5 | 174.6 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | C140 K198 L199 K204 G205 Y206 | C140-S202 VanDerWaalsContact O-CB 3.23Å; C140-S202 WeakPolarHBondContact O-CB 3.16Å; C140-S202 PolarHBondContact O-OG 3.32Å; K198-S202 PolarHBondContact O-N 3.01Å; K198-S202 PolarHBondContact O-OG 3.13Å; L199-S202 WeakPolarHBondContact O-CB 3.06Å; L199-S202 PolarHBondContact O-N 3.32Å; S202-K204 VanDerWaalsContact C-N 3.34Å; S202-K204 PolarHBondContact O-N 3.49Å; S202-G205 CarbonylContact O-C 3.58Å; S202-G205 WeakPolarHBondContact O-CA 3.23Å; S202-G205 PolarHBondContact O-N 3.19Å; S202-Y206 VanDerWaalsContact O-CD2 3.25Å; S202-Y206 WeakPolarHBondContact O-CD2 3.48Å; S202-Y206 PolarHBondContact O-N 2.76Å |
| 203 | L | 81.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 179 | -69.4 | 173.2 | 0 | 0 | 0 | 111.9 | L137 C140 F168 L170 P171 W173 A174 L199 L200 G205 Y206 Q207 | L137-L203 HydrophobicContact CD2-CD2 3.9Å; C140-L203 HydrophobicContact CB-CD2 4.31Å; F168-L203 HydrophobicContact CD1-CD2 3.73Å; F168-L203 HydrophobicContact CE1-CD2 3.75Å; L170-L203 HydrophobicContact CD2-CB 3.77Å; L170-L203 HydrophobicContact CD2-CD1 4.21Å; L170-L203 HydrophobicContact CD2-CG 4.42Å; P171-L203 HydrophobicContact CG-CD1 4.36Å; W173-L203 HydrophobicContact CH2-CD1 4.43Å; W173-L203 HydrophobicContact CZ2-CD1 4.38Å; A174-L203 HydrophobicContact CB-CD1 4.14Å; L199-L203 HydrophobicContact CD1-CD1 4.43Å; L199-L203 HydrophobicContact CD1-CG 4.26Å; L199-L203 HydrophobicContact CG-CD1 4.13Å; L199-L203 HydrophobicContact CG-CG 4.42Å; L199-L203 WeakPolarHBondContact O-CG 3.33Å; L199-L203 PolarHBondContact O-N 3.33Å; L200-L203 PolarHBondContact O-N 3.44Å; L203-G205 VanDerWaalsContact C-N 3.3Å; L203-G205 PolarHBondContact O-N 2.92Å; L203-Y206 PolarHBondContact O-N 2.98Å; L203-Q207 WeakPolarHBondContact O-CG 3.36Å; L203-Q207 PolarHBondContact O-N 2.59Å |
| 204 | K | 83 | Confident | 83.1 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 27% | 0.265 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.1 | -39.1 | 172.6 | -76.3 | 178.8 | 175.5 | -177.1 | 0 | 112.8 | V178 E181 L200 S202 Q207 M208 | V178-K204 VanDerWaalsContact CG2-CE 3.46Å; E181-K204 IonicContact OE1-NZ 3.82Å; E181-K204 PolarHBondContact OE1-NZ 2.94Å; E181-K204 IonicContact OE2-NZ 2.75Å; E181-K204 PolarHBondContact OE2-NZ 2.98Å; L200-K204 HydrophobicContact CG-CD 4.34Å; L200-K204 WeakPolarHBondContact O-CB 3.45Å; L200-K204 VanDerWaalsContact O-CG 3.31Å; L200-K204 WeakPolarHBondContact O-CG 3.19Å; L200-K204 PolarHBondContact O-N 2.82Å; S202-K204 VanDerWaalsContact C-N 3.34Å; S202-K204 PolarHBondContact O-N 3.49Å; K204-Q207 PolarHBondContact O-N 3.04Å; K204-M208 WeakPolarHBondContact O-CB 3.35Å; K204-M208 PolarHBondContact O-N 3.14Å |
| 205 | G | 83.6 | Confident | 82.8 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 45% | 0.454 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K201 S202 L203 M208 G209 | K201-G205 PolarHBondContact O-N 3.05Å; S202-G205 CarbonylContact O-C 3.58Å; S202-G205 WeakPolarHBondContact O-CA 3.23Å; S202-G205 PolarHBondContact O-N 3.19Å; L203-G205 VanDerWaalsContact C-N 3.3Å; L203-G205 PolarHBondContact O-N 2.92Å; G205-M208 PolarHBondContact O-N 3.14Å; G205-G209 PolarHBondContact O-N 3.01Å |
| 206 | Y | 81.1 | Confident | 82.6 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 14% | 0.141 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 176.6 | -62.2 | -50.3 | 0 | 0 | 0 | 112.3 | C140 D142 Y145 P147 S202 L203 M208 G209 H210 | C140-Y206 HydrophobicContact CB-CE2 3.93Å; D142-Y206 PolarHBondContact O-OH 2.91Å; Y145-Y206 HydrophobicContact CD1-CE1 4.34Å; Y145-Y206 HydrophobicContact CD1-CE2 4.17Å; Y145-Y206 AromaticContact CD1-CZ 3.81Å; Y145-Y206 WeakPolarHBondContact O-CE1 3.22Å; Y145-Y206 PolarHBondContact O-OH 2.75Å; P147-Y206 HydrophobicContact CG-CD1 4.04Å; P147-Y206 HydrophobicContact CG-CG 4.33Å; S202-Y206 VanDerWaalsContact O-CD2 3.25Å; S202-Y206 WeakPolarHBondContact O-CD2 3.48Å; S202-Y206 PolarHBondContact O-N 2.76Å; L203-Y206 PolarHBondContact O-N 2.98Å; Y206-M208 PolarHBondContact O-N 2.7Å; Y206-G209 PolarHBondContact O-N 2.87Å; Y206-H210 WeakPolarHBondContact O-CB 3.5Å; Y206-H210 PolarHBondContact O-N 2.83Å |
| 207 | Q | 80.1 | Confident | 82.5 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.7 | -50.1 | 174.9 | -70.9 | -67.8 | -4.8 | 0 | 0 | 111.7 | P165 F168 L170 L203 K204 G209 H210 I211 | P165-Q207 VanDerWaalsContact C-CD 3.47Å; P165-Q207 HydrophobicContact CB-CB 4.18Å; P165-Q207 HydrophobicContact CB-CG 3.92Å; P165-Q207 PolarHBondContact O-NE2 2.91Å; F168-Q207 PolarHBondContact O-NE2 2.5Å; L170-Q207 HydrophobicContact CD1-CG 4.5Å; L170-Q207 HydrophobicContact CD2-CG 4.21Å; L170-Q207 HydrophobicContact CG-CG 4.47Å; L203-Q207 WeakPolarHBondContact O-CG 3.36Å; L203-Q207 PolarHBondContact O-N 2.59Å; K204-Q207 PolarHBondContact O-N 3.04Å; Q207-G209 VanDerWaalsContact C-N 3.35Å; Q207-G209 PolarHBondContact O-N 2.88Å; Q207-H210 PolarHBondContact O-N 2.85Å; Q207-I211 WeakPolarHBondContact O-CG1 3.38Å; Q207-I211 PolarHBondContact O-N 2.86Å |
| 208 | M | 80.9 | Confident | 81.9 | Confident | 106 Ų | 106 | 51.2 Ų | 51.2 | 52% | 0.522 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 179.4 | -172.6 | 59.1 | 60.7 | 0 | 0 | 111.6 | K204 G205 Y206 H210 I211 Q212 | K204-M208 WeakPolarHBondContact O-CB 3.35Å; K204-M208 PolarHBondContact O-N 3.14Å; G205-M208 PolarHBondContact O-N 3.14Å; Y206-M208 PolarHBondContact O-N 2.7Å; M208-H210 VanDerWaalsContact C-N 3.33Å; M208-H210 PolarHBondContact O-N 2.82Å; M208-I211 PolarHBondContact O-N 2.67Å; M208-Q212 WeakPolarHBondContact O-CB 3.29Å; M208-Q212 VanDerWaalsContact O-CG 3.25Å; M208-Q212 WeakPolarHBondContact O-CG 3.46Å; M208-Q212 PolarHBondContact O-N 2.85Å |
| 209 | G | 81.7 | Confident | 81.3 | Confident | 34 Ų | 34 | 54.5 Ų | 54.5 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G205 Y206 Q207 Q212 R213 | G205-G209 PolarHBondContact O-N 3.01Å; Y206-G209 PolarHBondContact O-N 2.87Å; Q207-G209 VanDerWaalsContact C-N 3.35Å; Q207-G209 PolarHBondContact O-N 2.88Å; G209-Q212 PolarHBondContact O-N 2.85Å; G209-R213 WeakPolarHBondContact O-CB 3.47Å; G209-R213 PolarHBondContact O-N 3.46Å |
| 210 | H | 81.1 | Confident | 80.8 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 5% | 0.046 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.2 | -44.2 | 175.7 | -178.4 | 69.2 | 0 | 0 | 0 | 112.1 | Y131 N162 Y206 Q207 M208 Q212 R213 L214 | Y131-H210 AromaticContact CE2-ND1 3.69Å; N162-H210 PolarHBondContact ND2-NE2 3.36Å; Y206-H210 WeakPolarHBondContact O-CB 3.5Å; Y206-H210 PolarHBondContact O-N 2.83Å; Q207-H210 PolarHBondContact O-N 2.85Å; M208-H210 VanDerWaalsContact C-N 3.33Å; M208-H210 PolarHBondContact O-N 2.82Å; H210-Q212 VanDerWaalsContact C-N 3.32Å; H210-Q212 PolarHBondContact O-N 3.36Å; H210-R213 WeakPolarHBondContact O-CA 3.33Å; H210-R213 VanDerWaalsContact O-CB 3.32Å; H210-R213 WeakPolarHBondContact O-CB 3.48Å; H210-R213 PolarHBondContact O-N 2.89Å; H210-R213 VanDerWaalsContact O-N 3.11Å; H210-L214 PolarHBondContact O-N 3.26Å |
| 211 | I | 80.1 | Confident | 80 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 174.4 | -67.7 | 166.1 | 0 | 0 | 0 | 110.7 | Q207 M208 R213 L214 V215 | Q207-I211 WeakPolarHBondContact O-CG1 3.38Å; Q207-I211 PolarHBondContact O-N 2.86Å; M208-I211 PolarHBondContact O-N 2.67Å; I211-R213 VanDerWaalsContact C-N 3.29Å; I211-R213 PolarHBondContact O-N 2.84Å; I211-L214 PolarHBondContact O-N 3.46Å; I211-V215 WeakPolarHBondContact O-CG2 3.35Å; I211-V215 PolarHBondContact O-N 3.36Å |
| 212 | Q | 81.9 | Confident | 78.7 | Confident | 126 Ų | 126 | 50.9 Ų | 50.9 | 59% | 0.589 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.2 | -38.5 | 175.5 | -74.7 | 174.3 | -3 | 0 | 0 | 112.2 | M208 G209 H210 S216 | M208-Q212 WeakPolarHBondContact O-CB 3.29Å; M208-Q212 VanDerWaalsContact O-CG 3.25Å; M208-Q212 WeakPolarHBondContact O-CG 3.46Å; M208-Q212 PolarHBondContact O-N 2.85Å; G209-Q212 PolarHBondContact O-N 2.85Å; H210-Q212 VanDerWaalsContact C-N 3.32Å; H210-Q212 PolarHBondContact O-N 3.36Å; Q212-S216 WeakPolarHBondContact O-CB 3.41Å; Q212-S216 PolarHBondContact O-N 2.78Å |
| 213 | R | 82.8 | Confident | 77.3 | Confident | 85 Ų | 85 | 54.6 Ų | 54.6 | 32% | 0.321 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.2 | -50.4 | 173.7 | -178 | -173.5 | -178.2 | 88.5 | 21.3 | 110.9 | Y149 E157 G209 H210 I211 V215 S216 V217 | Y149-R213 VanDerWaalsContact CE2-CZ 3.45Å; Y149-R213 VanDerWaalsContact CG-NH2 3.34Å; E157-R213 IonicContact OE1-NE 2.59Å; E157-R213 PolarHBondContact OE1-NE 3Å; E157-R213 VanDerWaalsContact OE1-NE 3.15Å; E157-R213 IonicContact OE2-CZ 2.64Å; E157-R213 IonicContact OE2-NE 2.68Å; E157-R213 PolarHBondContact OE2-NE 3.28Å; E157-R213 IonicContact OE2-NH2 3.58Å; G209-R213 WeakPolarHBondContact O-CB 3.47Å; G209-R213 PolarHBondContact O-N 3.46Å; H210-R213 WeakPolarHBondContact O-CA 3.33Å; H210-R213 VanDerWaalsContact O-CB 3.32Å; H210-R213 WeakPolarHBondContact O-CB 3.48Å; H210-R213 PolarHBondContact O-N 2.89Å; H210-R213 VanDerWaalsContact O-N 3.11Å; I211-R213 VanDerWaalsContact C-N 3.29Å; I211-R213 PolarHBondContact O-N 2.84Å; R213-V215 PolarHBondContact O-N 2.92Å; R213-S216 CarbonylContact O-C 3.54Å; R213-S216 WeakPolarHBondContact O-CA 3.23Å; R213-S216 WeakPolarHBondContact O-CB 3.35Å; R213-S216 PolarHBondContact O-N 2.85Å; R213-S216 VanDerWaalsContact O-N 3.07Å; R213-V217 HydrophobicContact CG-CG2 4.13Å; R213-V217 WeakPolarHBondContact O-CG2 3.44Å; R213-V217 PolarHBondContact O-N 3.29Å |
| 214 | L | 81.5 | Confident | 76.2 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55.6 | -51.9 | 177.3 | -66.8 | -179.4 | 0 | 0 | 0 | 110.4 | I128 E157 A160 N162 H210 I211 S216 V217 T218 | I128-L214 HydrophobicContact CD1-CD2 4.31Å; E157-L214 HydrophobicContact CB-CD2 3.81Å; E157-L214 HydrophobicContact CG-CD2 3.79Å; A160-L214 HydrophobicContact CB-CD1 4.36Å; A160-L214 HydrophobicContact CB-CD2 4.22Å; N162-L214 HydrophobicContact CB-CD1 3.82Å; H210-L214 PolarHBondContact O-N 3.26Å; I211-L214 PolarHBondContact O-N 3.46Å; L214-S216 PolarHBondContact O-N 3.46Å; L214-S216 VanDerWaalsContact O-N 3.17Å; L214-V217 PolarHBondContact O-N 3.46Å; L214-V217 VanDerWaalsContact O-N 3.09Å; L214-T218 WeakPolarHBondContact O-CB 3.21Å; L214-T218 PolarHBondContact O-N 3.41Å; L214-T218 PolarHBondContact O-OG1 2.85Å |
| 215 | V | 79.6 | Confident | 74.8 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 29% | 0.285 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54.7 | -40.5 | 176.3 | 173 | 0 | 0 | 0 | 0 | 112 | I211 R213 R219 | I211-V215 WeakPolarHBondContact O-CG2 3.35Å; I211-V215 PolarHBondContact O-N 3.36Å; R213-V215 PolarHBondContact O-N 2.92Å; V215-R219 WeakPolarHBondContact O-CB 3.36Å; V215-R219 WeakPolarHBondContact O-CG 3.48Å; V215-R219 PolarHBondContact O-N 3.46Å |
| 216 | S | 81.9 | Confident | 73.5 | Confident | 70 Ų | 70 | 59.7 Ų | 59.7 | 49% | 0.49 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.5 | -45.7 | 176.8 | -170.8 | 0 | 0 | 0 | 0 | 112.8 | Q212 R213 L214 R219 S220 | Q212-S216 WeakPolarHBondContact O-CB 3.41Å; Q212-S216 PolarHBondContact O-N 2.78Å; R213-S216 CarbonylContact O-C 3.54Å; R213-S216 WeakPolarHBondContact O-CA 3.23Å; R213-S216 WeakPolarHBondContact O-CB 3.35Å; R213-S216 PolarHBondContact O-N 2.85Å; R213-S216 VanDerWaalsContact O-N 3.07Å; L214-S216 PolarHBondContact O-N 3.46Å; L214-S216 VanDerWaalsContact O-N 3.17Å; S216-R219 PolarHBondContact O-N 2.94Å; S216-S220 PolarHBondContact O-N 3.28Å; S216-S220 PolarHBondContact O-OG 2.88Å; S216-S220 VanDerWaalsContact O-OG 3.12Å |
| 217 | V | 80 | Confident | 72.2 | Confident | 32 Ų | 32 | 65.1 Ų | 65.1 | 19% | 0.194 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.8 | -46.7 | -179 | 172.2 | 0 | 0 | 0 | 0 | 110.1 | E157 R158 R213 L214 R219 S220 A221 | E157-V217 HydrophobicContact CB-CG1 4.04Å; R158-V217 HydrophobicContact CG-CG1 3.98Å; R213-V217 HydrophobicContact CG-CG2 4.13Å; R213-V217 WeakPolarHBondContact O-CG2 3.44Å; R213-V217 PolarHBondContact O-N 3.29Å; L214-V217 PolarHBondContact O-N 3.46Å; L214-V217 VanDerWaalsContact O-N 3.09Å; V217-R219 PolarHBondContact O-N 3.43Å; V217-S220 PolarHBondContact O-N 2.97Å; V217-S220 VanDerWaalsContact O-N 3.17Å; V217-A221 WeakPolarHBondContact O-CB 3.41Å; V217-A221 PolarHBondContact O-N 3.26Å |
| 218 | T | 74.2 | Confident | 70.7 | Confident | 20 Ų | 20 | 68.9 Ų | 68.9 | 12% | 0.123 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -55.4 | -49.5 | 174 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | R158 L214 S220 A221 S222 I237 | R158-T218 PolarHBondContact O-OG1 3.15Å; L214-T218 WeakPolarHBondContact O-CB 3.21Å; L214-T218 PolarHBondContact O-N 3.41Å; L214-T218 PolarHBondContact O-OG1 2.85Å; T218-S220 PolarHBondContact O-N 3.45Å; T218-A221 PolarHBondContact O-N 2.94Å; T218-S222 PolarHBondContact O-N 2.76Å; T218-S222 VanDerWaalsContact O-N 3.15Å; T218-I237 HydrophobicContact CG2-CB 4.41Å; T218-I237 HydrophobicContact CG2-CG2 3.34Å; T218-I237 WeakPolarHBondContact CG2-O 3.46Å; T218-I237 WeakPolarHBondContact O-CG2 3.4Å |
| 219 | R | 74 | Confident | 69.6 | Low | 180 Ų | 180 | 66.7 Ų | 66.7 | 68% | 0.679 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -57.5 | -44.3 | 174.8 | -76.9 | 174.3 | -172.2 | -174.3 | 3.5 | 113 | V215 S216 V217 S222 | V215-R219 WeakPolarHBondContact O-CB 3.36Å; V215-R219 WeakPolarHBondContact O-CG 3.48Å; V215-R219 PolarHBondContact O-N 3.46Å; S216-R219 PolarHBondContact O-N 2.94Å; V217-R219 PolarHBondContact O-N 3.43Å; R219-S222 WeakPolarHBondContact O-CB 3.26Å; R219-S222 PolarHBondContact O-N 2.86Å; R219-S222 PolarHBondContact O-OG 3.48Å |
| 220 | S | 72.8 | Confident | 68.3 | Low | 76 Ų | 76 | 70 Ų | 70 | 53% | 0.531 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.9 | -32.2 | 178.4 | -59.7 | 0 | 0 | 0 | 0 | 113.2 | S216 V217 T218 S222 S223 | S216-S220 PolarHBondContact O-N 3.28Å; S216-S220 PolarHBondContact O-OG 2.88Å; S216-S220 VanDerWaalsContact O-OG 3.12Å; V217-S220 PolarHBondContact O-N 2.97Å; V217-S220 VanDerWaalsContact O-N 3.17Å; T218-S220 PolarHBondContact O-N 3.45Å; S220-S222 PolarHBondContact O-N 3.41Å; S220-S223 PolarHBondContact O-N 3.34Å; S220-S223 PolarHBondContact O-OG 2.9Å |
| 221 | A | 67.8 | Low | 67.2 | Low | 17 Ų | 17 | 76.4 Ų | 76.4 | 14% | 0.14 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.3 | -23.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R158 V217 T218 S223 A224 | R158-A221 HydrophobicContact CB-CB 4.02Å; R158-A221 HydrophobicContact CG-CB 3.84Å; V217-A221 WeakPolarHBondContact O-CB 3.41Å; V217-A221 PolarHBondContact O-N 3.26Å; T218-A221 PolarHBondContact O-N 2.94Å; A221-S223 PolarHBondContact O-N 2.98Å; A221-S223 VanDerWaalsContact O-N 3.12Å; A221-A224 WeakPolarHBondContact O-CB 3.39Å; A221-A224 PolarHBondContact O-N 3.04Å |
| 222 | S | 59.8 | Low | 66.2 | Low | 42 Ų | 42 | 75.1 Ų | 75.1 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.7 | 175.2 | 78.4 | 0 | 0 | 0 | 0 | 113.3 | T218 R219 S220 R227 I237 | T218-S222 PolarHBondContact O-N 2.76Å; T218-S222 VanDerWaalsContact O-N 3.15Å; R219-S222 WeakPolarHBondContact O-CB 3.26Å; R219-S222 PolarHBondContact O-N 2.86Å; R219-S222 PolarHBondContact O-OG 3.48Å; S220-S222 PolarHBondContact O-N 3.41Å; S222-R227 PolarHBondContact O-NE 3.45Å; S222-R227 PolarHBondContact O-NH2 2.96Å; S222-I237 VanDerWaalsContact CA-CD1 3.48Å |
| 223 | S | 54.9 | Low | 65 | Low | 100 Ų | 100 | 72.5 Ų | 72.5 | 70% | 0.699 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 1.3 | 177 | 45.1 | 0 | 0 | 0 | 0 | 115.2 | S220 A221 | S220-S223 PolarHBondContact O-N 3.34Å; S220-S223 PolarHBondContact O-OG 2.9Å; A221-S223 PolarHBondContact O-N 2.98Å; A221-S223 VanDerWaalsContact O-N 3.12Å |
| 224 | A | 56.8 | Low | 64 | Low | 29 Ų | 29 | 70.7 Ų | 70.7 | 24% | 0.24 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -74.7 | 150.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A221 D226 | A221-A224 WeakPolarHBondContact O-CB 3.39Å; A221-A224 PolarHBondContact O-N 3.04Å; A224-D226 PolarHBondContact O-N 2.81Å |
| 225 | S | 54.7 | Low | 62.8 | Low | 101 Ų | 101 | 71 Ų | 71 | 71% | 0.706 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -66.5 | -16.2 | -179.2 | 48.9 | 0 | 0 | 0 | 0 | 114.5 | R227 S228 | S225-R227 PolarHBondContact O-N 3.07Å; S225-S228 PolarHBondContact O-N 2.87Å; S225-S228 PolarHBondContact O-OG 3.33Å |
| 226 | D | 56.2 | Low | 61.7 | Low | 82 Ų | 82 | 70.9 Ų | 70.9 | 44% | 0.439 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -61.7 | 0.8 | 178 | -64.8 | -25.2 | 0 | 0 | 0 | 114.5 | R158 A224 S228 R254 | R158-D226 IonicContact NH1-OD2 3.62Å; R158-D226 PolarHBondContact NH1-OD2 3.17Å; R158-D226 VanDerWaalsContact NH1-OD2 3.07Å; A224-D226 PolarHBondContact O-N 2.81Å; D226-S228 PolarHBondContact O-N 2.94Å; D226-R254 PolarHBondContact O-NE 3.09Å; D226-R254 PolarHBondContact O-NH2 2.8Å |
| 227 | R | 53.6 | Low | 60.5 | Low | 151 Ų | 151 | 69.7 Ų | 69.7 | 57% | 0.57 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -60.8 | -19.5 | 167.7 | -69.2 | -177.1 | 175.2 | -153.3 | -0.2 | 112.3 | S222 S225 I229 P234 | S222-R227 PolarHBondContact O-NE 3.45Å; S222-R227 PolarHBondContact O-NH2 2.96Å; S225-R227 PolarHBondContact O-N 3.07Å; R227-I229 PolarHBondContact O-N 2.93Å; R227-P234 HydrophobicContact CG-CG 4.36Å |
| 228 | S | 49.2 | Very low | 58.9 | Low | 87 Ų | 87 | 73 Ų | 73 | 61% | 0.608 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -83.4 | 11.9 | -173.7 | 64.3 | 0 | 0 | 0 | 0 | 116.3 | S225 D226 T230 | S225-S228 PolarHBondContact O-N 2.87Å; S225-S228 PolarHBondContact O-OG 3.33Å; D226-S228 PolarHBondContact O-N 2.94Å; S228-T230 VanDerWaalsContact O-CA 3.29Å; S228-T230 WeakPolarHBondContact O-CA 3.37Å; S228-T230 VanDerWaalsContact O-CG2 3.28Å; S228-T230 WeakPolarHBondContact O-CG2 3.28Å; S228-T230 PolarHBondContact O-N 3Å |
| 229 | I | 56.9 | Low | 58 | Low | 59 Ų | 59 | 79.2 Ų | 79.2 | 30% | 0.303 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -61.1 | 110.3 | 168.2 | -59 | -178.7 | 0 | 0 | 0 | 107.7 | R227 N231 I232 R254 | R227-I229 PolarHBondContact O-N 2.93Å; I229-N231 PolarHBondContact O-N 3.15Å; I229-I232 PolarHBondContact O-N 3.24Å; I229-R254 HydrophobicContact CD1-CG 3.51Å |
| 230 | T | 54.1 | Low | 57.5 | Low | 104 Ų | 104 | 74.6 Ų | 74.6 | 64% | 0.638 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 1.5 | -138.8 | 38.5 | 0 | 0 | 0 | 0 | 118.3 | S228 | S228-T230 VanDerWaalsContact O-CA 3.29Å; S228-T230 WeakPolarHBondContact O-CA 3.37Å; S228-T230 VanDerWaalsContact O-CG2 3.28Å; S228-T230 WeakPolarHBondContact O-CG2 3.28Å; S228-T230 PolarHBondContact O-N 3Å |
| 231 | N | 59 | Low | 57.7 | Low | 144 Ų | 144 | 73.4 Ų | 73.4 | 77% | 0.77 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.1 | 8.9 | 177.4 | -76.6 | -49.6 | 0 | 0 | 0 | 114.7 | I229 | I229-N231 PolarHBondContact O-N 3.15Š|
| 232 | I | 59.3 | Low | 58.6 | Low | 20 Ų | 20 | 73 Ų | 73 | 10% | 0.103 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -123.1 | 116 | -173.7 | -54.3 | 167.8 | 0 | 0 | 0 | 109.3 | R112 I229 L249 G250 | R112-I232 HydrophobicContact CG-CD1 4.35Å; I229-I232 PolarHBondContact O-N 3.24Å; I232-L249 HydrophobicContact CD1-CD2 3.66Å; I232-L249 HydrophobicContact CD1-CG 3.99Å; I232-L249 HydrophobicContact CG1-CD2 4.2Å; I232-L249 HydrophobicContact CG2-CD2 4.38Å; I232-L249 HydrophobicContact CG2-CG 4.44Å; I232-G250 VanDerWaalsContact CG2-CA 3.48Å |
| 233 | P | 56.9 | Low | 60 | Low | 71 Ų | 71 | 77.8 Ų | 77.8 | 46% | 0.461 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 136.5 | -178.9 | 23.5 | -31.7 | 0 | 0 | 0 | 109.7 | D246 | P233-D246 HydrophobicContact CG-CB 4.26Š|
| 234 | P | 59.9 | Low | 61.5 | Low | 48 Ų | 48 | 73.9 Ų | 73.9 | 31% | 0.312 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 143.7 | 174.9 | 27.5 | -33.7 | 0 | 0 | 0 | 108.9 | R227 | R227-P234 HydrophobicContact CG-CG 4.36Š|
| 235 | P | 58.2 | Low | 63 | Low | 11 Ų | 11 | 73.7 Ų | 73.7 | 7% | 0.071 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -56 | 141.1 | 171.8 | 24.9 | -33 | 0 | 0 | 0 | 108.7 | I237 Q247 L251 | P235-I237 WeakPolarHBondContact O-CG1 3.47Å; P235-I237 PolarHBondContact O-N 2.87Å; P235-Q247 HydrophobicContact CB-CB 4.46Å; P235-L251 HydrophobicContact CG-CB 4.26Å |
| 236 | P | 55.2 | Low | 64.5 | Low | 44 Ų | 44 | 73.4 Ų | 73.4 | 29% | 0.286 | 40% | 0.396 | S | S | . | . | trans | -63.7 | 103.6 | 179.2 | 24.1 | -31 | 0 | 0 | 0 | 108.9 | A238 R239 Q247 | P236-A238 PolarHBondContact O-N 2.64Å; P236-R239 HydrophobicContact CB-CG 4.37Å; P236-R239 HydrophobicContact CG-CB 4.22Å; P236-R239 HydrophobicContact CG-CG 4.25Å; P236-R239 PolarHBondContact O-N 2.74Å; P236-Q247 VanDerWaalsContact CD-OE1 3.23Å | ||
| 237 | I | 56.9 | Low | 65.9 | Low | 45 Ų | 45 | 71.5 Ų | 71.5 | 23% | 0.231 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.6 | -176.4 | -69.8 | 168.6 | 0 | 0 | 0 | 112.5 | T218 S222 P235 R239 | T218-I237 HydrophobicContact CG2-CB 4.41Å; T218-I237 HydrophobicContact CG2-CG2 3.34Å; T218-I237 WeakPolarHBondContact CG2-O 3.46Å; T218-I237 WeakPolarHBondContact O-CG2 3.4Å; S222-I237 VanDerWaalsContact CA-CD1 3.48Å; P235-I237 WeakPolarHBondContact O-CG1 3.47Å; P235-I237 PolarHBondContact O-N 2.87Å; I237-R239 VanDerWaalsContact C-N 3.29Å |
| 238 | A | 47.3 | Very low | 67.7 | Low | 102 Ų | 102 | 64.3 Ų | 64.3 | 84% | 0.843 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P236 | P236-A238 PolarHBondContact O-N 2.64Š|
| 239 | R | 54.2 | Low | 69.7 | Low | 150 Ų | 150 | 60.8 Ų | 60.8 | 57% | 0.566 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -102.8 | 130.8 | -179.6 | -63.9 | -172.8 | 177.7 | 169 | -0.3 | 108.9 | P236 I237 E241 | P236-R239 HydrophobicContact CB-CG 4.37Å; P236-R239 HydrophobicContact CG-CB 4.22Å; P236-R239 HydrophobicContact CG-CG 4.25Å; P236-R239 PolarHBondContact O-N 2.74Å; I237-R239 VanDerWaalsContact C-N 3.29Å; R239-E241 PolarHBondContact O-N 2.84Å |
| 240 | M | 62.9 | Low | 71.1 | Confident | 84 Ų | 84 | 58 Ų | 58 | 41% | 0.414 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -69.9 | 20.3 | 178.2 | -73.5 | -57.8 | -91.2 | 0 | 0 | 112 | V161 | V161-M240 HydrophobicContact CB-CE 4.47Å; V161-M240 VanDerWaalsContact CB-O 3.24Å; V161-M240 WeakPolarHBondContact CB-O 3.26Å; V161-M240 HydrophobicContact CG1-CB 3.42Å; V161-M240 VanDerWaalsContact CG1-CB 3.42Å; V161-M240 HydrophobicContact CG1-CE 3.51Å; V161-M240 HydrophobicContact CG1-CG 4.06Å; V161-M240 WeakPolarHBondContact CG1-O 3.5Å; V161-M240 HydrophobicContact CG1-SD 3.88Å; V161-M240 HydrophobicContact CG2-CB 4.41Å; V161-M240 WeakPolarHBondContact CG2-O 3.34Å |
| 241 | E | 78.8 | Confident | 72.7 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 24% | 0.238 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -172.1 | 145.1 | -168.8 | 51.9 | -162.8 | -136.5 | 0 | 0 | 109.8 | Y123 T125 R239 R243 | Y123-E241 HydrophobicContact CD2-CB 4.48Å; Y123-E241 HydrophobicContact CE2-CB 3.48Å; Y123-E241 VanDerWaalsContact CE2-CB 3.48Å; Y123-E241 HydrophobicContact CE2-CG 3.73Å; Y123-E241 WeakPolarHBondContact OH-CB 3.38Å; Y123-E241 VanDerWaalsContact OH-CD 3.3Å; Y123-E241 PolarHBondContact OH-OE2 2.69Å; T125-E241 HydrophobicContact CG2-CB 4.41Å; R239-E241 PolarHBondContact O-N 2.84Å; E241-R243 IonicContact OE1-CZ 3.4Å; E241-R243 IonicContact OE1-NE 3.67Å; E241-R243 PolarHBondContact OE1-NE 3.15Å; E241-R243 IonicContact OE1-NH2 3.44Å; E241-R243 PolarHBondContact OE1-NH2 3.26Å |
| 242 | C | 85.6 | Confident | 74.2 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 128.6 | 172.8 | -65.2 | 0 | 0 | 0 | 0 | 109.2 | Y123 L124 Q247 V248 | Y123-C242 WeakPolarHBondContact CA-O 3.42Å; L124-C242 HydrophobicContact CB-CB 4.29Å; L124-C242 PolarHBondContact N-O 2.87Å; L124-C242 PolarHBondContact O-N 2.91Å; C242-Q247 HydrophobicContact CB-CB 4.01Å; C242-V248 HydrophobicContact CB-CG2 4.02Å |
| 243 | R | 88.6 | Confident | 75.6 | Confident | 142 Ų | 142 | 46.1 Ų | 46.1 | 54% | 0.536 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 125.4 | 177.1 | -66.2 | -172.1 | 177.7 | -140.8 | 1.2 | 110.6 | Y123 E241 Q247 | Y123-R243 HydrophobicContact CD2-CG 3.99Å; Y123-R243 HydrophobicContact CE2-CG 4.33Å; E241-R243 IonicContact OE1-CZ 3.4Å; E241-R243 IonicContact OE1-NE 3.67Å; E241-R243 PolarHBondContact OE1-NE 3.15Å; E241-R243 IonicContact OE1-NH2 3.44Å; E241-R243 PolarHBondContact OE1-NH2 3.26Å; R243-Q247 WeakPolarHBondContact O-CG 3.18Å; R243-Q247 PolarHBondContact O-NE2 3.29Å; R243-Q247 PolarHBondContact O-OE1 2.96Å |
| 244 | G | 87.9 | Confident | 77 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 19% | 0.186 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 84.2 | 155.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P120 A122 D246 Q247 V248 | P120-G244 WeakPolarHBondContact O-CA 3.41Å; A122-G244 WeakPolarHBondContact O-CA 3.43Å; A122-G244 PolarHBondContact O-N 3.07Å; G244-D246 PolarHBondContact O-N 3.24Å; G244-D246 VanDerWaalsContact O-N 3.15Å; G244-Q247 PolarHBondContact O-N 2.98Å; G244-V248 WeakPolarHBondContact O-CG2 3.49Å; G244-V248 PolarHBondContact O-N 2.85Å; G244-V248 VanDerWaalsContact O-N 3.13Å |
| 245 | S | 87.6 | Confident | 78.4 | Confident | 25 Ų | 25 | 42 Ų | 42 | 18% | 0.175 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -52.5 | -38.7 | -173.8 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | P120 L249 | P120-S245 PolarHBondContact O-N 3.1Å; S245-L249 VanDerWaalsContact O-CB 3.22Å; S245-L249 WeakPolarHBondContact O-CB 3.3Å; S245-L249 PolarHBondContact O-N 2.85Å |
| 246 | D | 85.6 | Confident | 79.9 | Confident | 94 Ų | 94 | 42.3 Ų | 42.3 | 50% | 0.503 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -70.8 | -39.7 | -175.7 | -62.1 | -14.3 | 0 | 0 | 0 | 112.6 | P233 G244 G250 | P233-D246 HydrophobicContact CG-CB 4.26Å; G244-D246 PolarHBondContact O-N 3.24Å; G244-D246 VanDerWaalsContact O-N 3.15Å; D246-G250 PolarHBondContact O-N 3.02Å |
| 247 | Q | 87.3 | Confident | 81.7 | Confident | 42 Ų | 42 | 42.9 Ų | 42.9 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.8 | -42 | 177.7 | -65.3 | -179.1 | 19.5 | 0 | 0 | 110.6 | P235 P236 C242 R243 G244 G250 L251 | P235-Q247 HydrophobicContact CB-CB 4.46Å; P236-Q247 VanDerWaalsContact CD-OE1 3.23Å; C242-Q247 HydrophobicContact CB-CB 4.01Å; R243-Q247 WeakPolarHBondContact O-CG 3.18Å; R243-Q247 PolarHBondContact O-NE2 3.29Å; R243-Q247 PolarHBondContact O-OE1 2.96Å; G244-Q247 PolarHBondContact O-N 2.98Å; Q247-G250 PolarHBondContact O-N 2.87Å; Q247-L251 PolarHBondContact O-N 2.74Å |
| 248 | V | 90.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.6 | -53.1 | 173.9 | 170.8 | 0 | 0 | 0 | 0 | 109.6 | Y118 L124 C242 G244 G250 L251 L252 | Y118-V248 HydrophobicContact CD1-CG1 3.76Å; Y118-V248 HydrophobicContact CD2-CG1 3.82Å; Y118-V248 HydrophobicContact CE1-CG1 3.55Å; Y118-V248 HydrophobicContact CE2-CG1 3.65Å; Y118-V248 HydrophobicContact CG-CG1 3.89Å; Y118-V248 VanDerWaalsContact CZ-CG1 3.5Å; L124-V248 HydrophobicContact CB-CG1 4.37Å; L124-V248 HydrophobicContact CB-CG2 3.84Å; L124-V248 HydrophobicContact CD1-CG1 3.84Å; C242-V248 HydrophobicContact CB-CG2 4.02Å; G244-V248 WeakPolarHBondContact O-CG2 3.49Å; G244-V248 PolarHBondContact O-N 2.85Å; G244-V248 VanDerWaalsContact O-N 3.13Å; V248-G250 VanDerWaalsContact C-N 3.31Å; V248-G250 PolarHBondContact O-N 2.83Å; V248-L251 WeakPolarHBondContact O-CB 3.21Å; V248-L251 PolarHBondContact O-N 3.39Å; V248-L251 VanDerWaalsContact O-N 3.15Å; V248-L252 HydrophobicContact CG1-CD1 3.8Å; V248-L252 HydrophobicContact CG1-CG 4.36Å; V248-L252 VanDerWaalsContact O-CG 3.32Å; V248-L252 WeakPolarHBondContact O-CG 3.36Å; V248-L252 PolarHBondContact O-N 2.84Å |
| 249 | L | 90.7 | Very high | 85.8 | Confident | 14 Ų | 14 | 36.4 Ų | 36.4 | 7% | 0.073 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.7 | -43.6 | 177.1 | -172.8 | 68.3 | 0 | 0 | 0 | 112 | R111 L114 I232 S245 L251 L252 C253 | R111-L249 WeakPolarHBondContact O-CD1 3.47Å; L114-L249 HydrophobicContact CB-CD1 3.94Å; I232-L249 HydrophobicContact CD1-CD2 3.66Å; I232-L249 HydrophobicContact CD1-CG 3.99Å; I232-L249 HydrophobicContact CG1-CD2 4.2Å; I232-L249 HydrophobicContact CG2-CD2 4.38Å; I232-L249 HydrophobicContact CG2-CG 4.44Å; S245-L249 VanDerWaalsContact O-CB 3.22Å; S245-L249 WeakPolarHBondContact O-CB 3.3Å; S245-L249 PolarHBondContact O-N 2.85Å; L249-L251 PolarHBondContact O-N 2.97Å; L249-L252 PolarHBondContact O-N 2.84Å; L249-C253 WeakPolarHBondContact O-CB 3.35Å; L249-C253 PolarHBondContact O-N 2.86Å; L249-C253 PolarHBondContact O-SG 2.84Å; L249-C253 VanDerWaalsContact O-SG 3.4Å |
| 250 | G | 85.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.9 | -34.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I232 D246 Q247 V248 R254 | I232-G250 VanDerWaalsContact CG2-CA 3.48Å; D246-G250 PolarHBondContact O-N 3.02Å; Q247-G250 PolarHBondContact O-N 2.87Å; V248-G250 VanDerWaalsContact C-N 3.31Å; V248-G250 PolarHBondContact O-N 2.83Å; G250-R254 WeakPolarHBondContact O-CD 3.06Å; G250-R254 WeakPolarHBondContact O-CG 2.84Å; G250-R254 PolarHBondContact O-NH1 2.88Å |
| 251 | L | 88.4 | Confident | 89.3 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72.7 | -54.2 | 171.6 | 171.8 | 63.8 | 0 | 0 | 0 | 111.8 | L124 F126 F159 P235 Q247 V248 L249 C253 R254 L255 | L124-L251 HydrophobicContact CD2-CD2 3.28Å; F126-L251 HydrophobicContact CB-CD2 4.01Å; F159-L251 HydrophobicContact CB-CD1 3.4Å; F159-L251 HydrophobicContact CD1-CD1 3.68Å; F159-L251 HydrophobicContact CD2-CD1 4.21Å; F159-L251 HydrophobicContact CG-CD1 3.49Å; F159-L251 VanDerWaalsContact CG-CD1 3.49Å; P235-L251 HydrophobicContact CG-CB 4.26Å; Q247-L251 PolarHBondContact O-N 2.74Å; V248-L251 WeakPolarHBondContact O-CB 3.21Å; V248-L251 PolarHBondContact O-N 3.39Å; V248-L251 VanDerWaalsContact O-N 3.15Å; L249-L251 PolarHBondContact O-N 2.97Å; L251-C253 VanDerWaalsContact C-N 3.26Å; L251-C253 PolarHBondContact O-N 3.35Å; L251-R254 PolarHBondContact O-N 2.86Å; L251-L255 HydrophobicContact CD1-CD1 4.22Å; L251-L255 HydrophobicContact CD1-CD2 4.22Å; L251-L255 HydrophobicContact CD1-CG 4.09Å; L251-L255 HydrophobicContact CG-CD1 4.09Å; L251-L255 HydrophobicContact CG-CG 4.4Å; L251-L255 PolarHBondContact O-N 3.22Å |
| 252 | L | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.7 | -38 | -174.1 | -63.4 | 173 | 0 | 0 | 0 | 112.2 | F105 R111 L114 Y118 L124 V248 L249 R254 L255 W338 | F105-L252 HydrophobicContact CE2-CB 4.34Å; F105-L252 HydrophobicContact CE2-CD2 4.11Å; R111-L252 PolarHBondContact NH1-O 2.81Å; L114-L252 HydrophobicContact CB-CD1 4.24Å; L114-L252 HydrophobicContact CD1-CB 3.9Å; L114-L252 HydrophobicContact CD1-CD1 3.87Å; L114-L252 HydrophobicContact CD1-CG 4.47Å; Y118-L252 HydrophobicContact CE2-CD1 3.51Å; Y118-L252 VanDerWaalsContact OH-CD1 3.26Å; Y118-L252 WeakPolarHBondContact OH-CD1 3.49Å; L124-L252 HydrophobicContact CD1-CD2 3.87Å; L124-L252 HydrophobicContact CD1-CG 4.33Å; V248-L252 HydrophobicContact CG1-CD1 3.8Å; V248-L252 HydrophobicContact CG1-CG 4.36Å; V248-L252 VanDerWaalsContact O-CG 3.32Å; V248-L252 WeakPolarHBondContact O-CG 3.36Å; V248-L252 PolarHBondContact O-N 2.84Å; L249-L252 PolarHBondContact O-N 2.84Å; L252-R254 PolarHBondContact O-N 2.83Å; L252-L255 HydrophobicContact CD2-CD1 4.41Å; L252-W338 HydrophobicContact CD2-CE3 3.88Å; L252-W338 HydrophobicContact CD2-CZ3 3.53Å |
| 253 | C | 88.4 | Confident | 89.8 | Confident | 15 Ų | 15 | 29.3 Ų | 29.3 | 10% | 0.101 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -21.9 | 175.6 | -74.2 | 0 | 0 | 0 | 0 | 113.9 | L249 L251 | L249-C253 WeakPolarHBondContact O-CB 3.35Å; L249-C253 PolarHBondContact O-N 2.86Å; L249-C253 PolarHBondContact O-SG 2.84Å; L249-C253 VanDerWaalsContact O-SG 3.4Å; L251-C253 VanDerWaalsContact C-N 3.26Å; L251-C253 PolarHBondContact O-N 3.35Å |
| 254 | R | 85.3 | Confident | 89.5 | Confident | 28 Ų | 28 | 29.9 Ų | 29.9 | 11% | 0.106 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -12.3 | -176.8 | -73 | 178 | 174 | 85.4 | -0.3 | 114.3 | F159 D226 I229 G250 L251 L252 | F159-R254 HydrophobicContact CE1-CB 4.15Å; F159-R254 HydrophobicContact CE2-CB 4Å; F159-R254 HydrophobicContact CZ-CB 3.54Å; F159-R254 HydrophobicContact CZ-CG 4.33Å; D226-R254 PolarHBondContact O-NE 3.09Å; D226-R254 PolarHBondContact O-NH2 2.8Å; I229-R254 HydrophobicContact CD1-CG 3.51Å; G250-R254 WeakPolarHBondContact O-CD 3.06Å; G250-R254 WeakPolarHBondContact O-CG 2.84Å; G250-R254 PolarHBondContact O-NH1 2.88Å; L251-R254 PolarHBondContact O-N 2.86Å; L252-R254 PolarHBondContact O-N 2.83Å |
| 255 | L | 89.6 | Confident | 89.3 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -69.3 | 155.1 | 175.3 | -71.1 | 169.4 | 0 | 0 | 0 | 110.8 | R111 F126 Y156 F159 L251 L252 W338 | R111-L255 PolarHBondContact NH1-O 2.69Å; F126-L255 HydrophobicContact CD1-CD2 4.15Å; F126-L255 HydrophobicContact CD2-CD1 4.13Å; F126-L255 HydrophobicContact CD2-CD2 4.46Å; F126-L255 HydrophobicContact CE1-CD2 3.81Å; F126-L255 HydrophobicContact CE2-CD1 4.16Å; F126-L255 HydrophobicContact CE2-CD2 4.13Å; F126-L255 HydrophobicContact CG-CD2 4.5Å; F126-L255 HydrophobicContact CZ-CD2 3.83Å; Y156-L255 HydrophobicContact CD1-CD2 4.08Å; F159-L255 HydrophobicContact CD2-CD2 3.98Å; L251-L255 HydrophobicContact CD1-CD1 4.22Å; L251-L255 HydrophobicContact CD1-CD2 4.22Å; L251-L255 HydrophobicContact CD1-CG 4.09Å; L251-L255 HydrophobicContact CG-CD1 4.09Å; L251-L255 HydrophobicContact CG-CG 4.4Å; L251-L255 PolarHBondContact O-N 3.22Å; L252-L255 HydrophobicContact CD2-CD1 4.41Å; L255-W338 HydrophobicContact CB-CH2 4.38Å; L255-W338 HydrophobicContact CD1-CE3 3.78Å; L255-W338 HydrophobicContact CD1-CH2 3.46Å; L255-W338 VanDerWaalsContact CD1-CH2 3.46Å; L255-W338 HydrophobicContact CD1-CZ2 4.46Å; L255-W338 HydrophobicContact CD1-CZ3 3.08Å; L255-W338 HydrophobicContact CG-CZ3 4.43Å |
| 256 | P | 90.4 | Very high | 89.3 | Confident | 18 Ų | 18 | 38 Ų | 38 | 12% | 0.117 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -53.3 | 156.5 | 177 | -29.6 | 38.6 | 0 | 0 | 0 | 113.7 | R111 T155 Y156 E289 | R111-P256 PolarHBondContact NH2-O 3.21Å; T155-P256 HydrophobicContact CG2-CG 3.84Å; Y156-P256 HydrophobicContact CD1-CG 4.18Å; Y156-P256 HydrophobicContact CD2-CG 4.49Å; Y156-P256 HydrophobicContact CE1-CB 4.4Å; Y156-P256 VanDerWaalsContact CE1-CD 3.46Å; Y156-P256 HydrophobicContact CE1-CG 3.67Å; Y156-P256 HydrophobicContact CE2-CG 3.96Å; P256-E289 HydrophobicContact CB-CG 4.03Å |
| 257 | D | 92.1 | Very high | 89.5 | Confident | 56 Ų | 56 | 34.5 Ų | 34.5 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | P | Polyproline II helix | trans | -73.3 | 128.2 | 172.5 | -62.6 | -34.7 | 0 | 0 | 0 | 109.1 | K108 R111 | K108-D257 WeakPolarHBondContact CD-OD1 3.29Å; K108-D257 WeakPolarHBondContact CD-OD2 3.25Å; K108-D257 IonicContact NZ-OD2 3.07Å; K108-D257 PolarHBondContact NZ-OD2 3.27Å; R111-D257 IonicContact CZ-OD1 2.67Å; R111-D257 IonicContact NH1-OD1 3.6Å; R111-D257 IonicContact NH2-OD1 3.75Å; R111-D257 PolarHBondContact NH2-OD1 2.97Å |
| 258 | L | 95.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 137.2 | -177.4 | -66.2 | 177.5 | 0 | 0 | 0 | 108.6 | F105 A287 A288 E289 R319 V321 W338 | F105-L258 HydrophobicContact CE1-CB 4.24Å; F105-L258 HydrophobicContact CE1-CD1 4.24Å; L258-A287 HydrophobicContact CB-CB 4.29Å; L258-A287 HydrophobicContact CD2-CB 4.39Å; L258-A288 WeakPolarHBondContact CA-O 3.24Å; L258-E289 HydrophobicContact CD2-CB 3.74Å; L258-E289 HydrophobicContact CD2-CG 4.19Å; L258-R319 HydrophobicContact CD2-CG 4.47Å; L258-V321 HydrophobicContact CD1-CG2 4.2Å; L258-W338 HydrophobicContact CD1-CH2 4.46Å; L258-W338 HydrophobicContact CD1-CZ2 3.92Å |
| 259 | V | 96.2 | Very high | 89.7 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 6% | 0.055 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 106.6 | 167.6 | -177.6 | 0 | 0 | 0 | 0 | 107.4 | A287 A288 V359 F362 | V259-A287 CarbonylContact O-C 3.57Å; V259-A287 VanDerWaalsContact O-CA 3.23Å; V259-A287 WeakPolarHBondContact O-CA 3.36Å; V259-A288 HydrophobicContact CB-CB 4.42Å; V259-A288 PolarHBondContact N-O 2.92Å; V259-A288 PolarHBondContact O-N 3.26Å; V259-V359 HydrophobicContact CB-CG2 4.38Å; V259-V359 HydrophobicContact CG1-CG2 4.38Å; V259-F362 HydrophobicContact CG1-CB 3.74Å; V259-F362 HydrophobicContact CG1-CD1 4.46Å; V259-F362 HydrophobicContact CG1-CD2 4.35Å; V259-F362 HydrophobicContact CG1-CG 3.94Å; V259-F362 HydrophobicContact CG2-CB 4.33Å; V259-F362 HydrophobicContact CG2-CD1 3.53Å; V259-F362 HydrophobicContact CG2-CD2 4.42Å; V259-F362 HydrophobicContact CG2-CE1 3.81Å; V259-F362 HydrophobicContact CG2-CG 3.84Å; V259-F362 HydrophobicContact CG2-CZ 4.36Å |
| 260 | H | 96.1 | Very high | 89.7 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 2% | 0.023 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 133.5 | -178.2 | -67.3 | 67.1 | 0 | 0 | 0 | 110.6 | I102 F105 D106 R262 C285 | I102-H260 HydrophobicContact CG2-CB 3.58Å; F105-H260 AromaticContact CD1-CE1 3.55Å; F105-H260 AromaticContact CE1-CE1 3.87Å; D106-H260 IonicContact OD1-CE1 3Å; D106-H260 PolarHBondContact OD1-CE1 3.21Å; D106-H260 IonicContact OD1-CG 3.09Å; D106-H260 IonicContact OD1-ND1 3.15Å; D106-H260 PolarHBondContact OD1-ND1 3.09Å; D106-H260 PolarHBondContact OD2-N 3.13Å; H260-R262 PolarHBondContact O-N 3.42Å; H260-C285 PolarHBondContact CD2-SG 3.22Å |
| 261 | V | 93.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | trans | -86 | 109.4 | -179.1 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | S263 S267 I286 I354 I355 A358 | V261-S263 VanDerWaalsContact C-N 3.32Å; V261-S263 PolarHBondContact O-N 2.8Å; V261-S267 PolarHBondContact O-OG 3.48Å; V261-I286 HydrophobicContact CB-CB 4.38Å; V261-I286 WeakPolarHBondContact CB-O 3.36Å; V261-I286 HydrophobicContact CG2-CB 4.39Å; V261-I286 HydrophobicContact CG2-CG2 4.36Å; V261-I286 PolarHBondContact N-O 3.49Å; V261-I354 HydrophobicContact CG1-CG2 3.46Å; V261-I354 VanDerWaalsContact CG1-CG2 3.46Å; V261-I355 HydrophobicContact CG2-CG1 4.06Å; V261-A358 HydrophobicContact CG2-CB 4.06Å | ||
| 262 | R | 88.2 | Confident | 89.9 | Confident | 110 Ų | 110 | 42.8 Ų | 42.8 | 42% | 0.415 | 21% | 0.205 | S | C | . | . | trans | -92.7 | 47.4 | -174.8 | -55.1 | -178.9 | -163.2 | 167 | 2.2 | 113.5 | N103 D106 H260 | N103-R262 PolarHBondContact OD1-NH1 3.34Å; N103-R262 PolarHBondContact OD1-NH2 2.56Å; D106-R262 IonicContact OD2-NH2 3.48Å; D106-R262 PolarHBondContact OD2-NH2 2.86Å; H260-R262 PolarHBondContact O-N 3.42Å | ||
| 263 | S | 86.6 | Confident | 89.8 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | trans | -98.2 | 131.2 | 176.2 | 178.1 | 0 | 0 | 0 | 0 | 110.1 | V261 R265 Y266 S267 | V261-S263 VanDerWaalsContact C-N 3.32Å; V261-S263 PolarHBondContact O-N 2.8Å; S263-R265 PolarHBondContact O-N 3.45Å; S263-R265 PolarHBondContact OG-N 3.41Å; S263-Y266 CarbonylContact O-C 3.51Å; S263-Y266 PolarHBondContact O-N 3.28Å; S263-S267 WeakPolarHBondContact O-CB 3.46Å; S263-S267 PolarHBondContact O-N 2.88Å | ||
| 264 | D | 82.8 | Confident | 89.7 | Confident | 154 Ų | 154 | 48.7 Ų | 48.7 | 82% | 0.824 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | -22.2 | 176.3 | -61.7 | -20.7 | 0 | 0 | 0 | 113.6 | ||
| 265 | R | 84 | Confident | 89.7 | Confident | 187 Ų | 187 | 53.4 Ų | 53.4 | 71% | 0.706 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -28.5 | 176.3 | -66.3 | -171.8 | -178.5 | -172.7 | 1.8 | 113.9 | S263 | S263-R265 PolarHBondContact O-N 3.45Å; S263-R265 PolarHBondContact OG-N 3.41Å |
| 266 | Y | 86.9 | Confident | 89.4 | Confident | 28 Ų | 28 | 58.6 Ų | 58.6 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 4.8 | -170.4 | -58.3 | -64.1 | 0 | 0 | 0 | 113.5 | S263 C285 I286 E350 C351 I354 | S263-Y266 CarbonylContact O-C 3.51Å; S263-Y266 PolarHBondContact O-N 3.28Å; Y266-C285 WeakPolarHBondContact O-CA 3.4Å; Y266-I286 HydrophobicContact CD1-CD1 3.76Å; Y266-I286 HydrophobicContact CG-CD1 3.84Å; Y266-I286 PolarHBondContact O-N 3.41Å; Y266-E350 PolarHBondContact OH-OE1 3.22Å; Y266-C351 WeakPolarHBondContact CE1-SG 3.39Å; Y266-C351 HydrophobicContact CE2-CB 4.45Å; Y266-I354 HydrophobicContact CD2-CD1 4.1Å; Y266-I354 HydrophobicContact CD2-CG2 4.36Å; Y266-I354 HydrophobicContact CE2-CD1 3.57Å |
| 267 | S | 89.5 | Confident | 89.3 | Confident | 20 Ų | 20 | 60.2 Ų | 60.2 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 122.3 | 170.1 | -89.3 | 0 | 0 | 0 | 0 | 107.9 | V261 S263 Y283 S284 C285 | V261-S267 PolarHBondContact O-OG 3.48Å; S263-S267 WeakPolarHBondContact O-CB 3.46Å; S263-S267 PolarHBondContact O-N 2.88Å; S267-Y283 PolarHBondContact OG-OH 2.94Å; S267-S284 CarbonylContact C-O 3.53Å; S267-S284 WeakPolarHBondContact CA-O 3.38Å; S267-C285 VanDerWaalsContact OG-CB 3.22Å; S267-C285 WeakPolarHBondContact OG-CB 3.45Å |
| 268 | H | 90.8 | Very high | 89.3 | Confident | 93 Ų | 93 | 60 Ų | 60 | 43% | 0.431 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134 | -179.4 | -56.4 | -63.5 | 0 | 0 | 0 | 109.9 | Y283 S284 | H268-Y283 CarbonylContact O-C 3.49Å; H268-Y283 WeakPolarHBondContact O-CA 3.45Å; H268-Y283 WeakPolarHBondContact O-CD2 3.35Å; H268-S284 PolarHBondContact N-O 2.88Å; H268-S284 PolarHBondContact O-N 2.91Å |
| 269 | L | 91.1 | Very high | 89.1 | Confident | 50 Ų | 50 | 60.1 Ų | 60.1 | 26% | 0.262 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 108.1 | 172.2 | -171.2 | 159.1 | 0 | 0 | 0 | 107.5 | L91 L94 V98 V271 R282 | L91-L269 HydrophobicContact CD2-CD2 4.45Å; L94-L269 HydrophobicContact CB-CD1 4Å; L94-L269 HydrophobicContact CB-CD2 4.17Å; L94-L269 HydrophobicContact CD1-CD2 4.11Å; V98-L269 HydrophobicContact CB-CD1 4.4Å; V98-L269 HydrophobicContact CG2-CD1 3.84Å; L269-V271 HydrophobicContact CD2-CG2 4.25Å; L269-R282 WeakPolarHBondContact CA-O 3.28Å |
| 270 | D | 90 | Very high | 89 | Confident | 26 Ų | 26 | 60.5 Ų | 60.5 | 14% | 0.139 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.3 | 178.3 | -53.8 | -55.5 | 0 | 0 | 0 | 109.6 | M281 R282 | D270-M281 CarbonylContact O-C 3.54Å; D270-M281 VanDerWaalsContact O-CA 3.25Å; D270-M281 WeakPolarHBondContact O-CA 3.47Å; D270-R282 HydrophobicContact CB-CB 4.31Å; D270-R282 PolarHBondContact N-O 3.26Å; D270-R282 PolarHBondContact O-N 3.45Å; D270-R282 IonicContact OD2-CZ 3.27Å; D270-R282 VanDerWaalsContact OD2-CZ 3.26Å; D270-R282 IonicContact OD2-NE 3.04Å; D270-R282 PolarHBondContact OD2-NE 3.41Å; D270-R282 IonicContact OD2-NH2 2.91Å; D270-R282 PolarHBondContact OD2-NH2 3.11Å |
| 271 | V | 90.7 | Very high | 88.8 | Confident | 10 Ų | 10 | 60.3 Ų | 60.3 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 113.6 | 169 | 178.1 | 0 | 0 | 0 | 0 | 107.8 | Q83 C85 L91 L94 L269 V279 | Q83-V271 VanDerWaalsContact CB-O 3.23Å; Q83-V271 WeakPolarHBondContact CB-O 3.21Å; C85-V271 HydrophobicContact CB-CB 3.73Å; C85-V271 HydrophobicContact CB-CG1 4Å; C85-V271 HydrophobicContact CB-CG2 3.76Å; L91-V271 HydrophobicContact CD2-CG2 3.96Å; L94-V271 HydrophobicContact CD1-CG2 3.5Å; L94-V271 VanDerWaalsContact CD1-CG2 3.5Å; L269-V271 HydrophobicContact CD2-CG2 4.25Å; V271-V279 HydrophobicContact CG1-CG1 4.28Å |
| 272 | I | 89.3 | Confident | 88.9 | Confident | 54 Ų | 54 | 63.7 Ų | 63.7 | 28% | 0.277 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -39.5 | -179.4 | -67.5 | 169.7 | 0 | 0 | 0 | 109.9 | Q83 C280 R282 M324 | Q83-I272 VanDerWaalsContact CD-O 3.23Å; Q83-I272 PolarHBondContact NE2-O 2.95Å; Q83-I272 PolarHBondContact OE1-O 3.48Å; I272-C280 PolarHBondContact N-O 3.25Å; I272-R282 HydrophobicContact CD1-CB 3.88Å; I272-M324 HydrophobicContact CD1-CE 3.25Å; I272-M324 HydrophobicContact CD1-SD 3.38Å; I272-M324 WeakPolarHBondContact CD1-SD 3.37Å |
| 273 | W | 87.9 | Confident | 89.2 | Confident | 99 Ų | 99 | 59 Ų | 59 | 38% | 0.375 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 146.8 | -179.1 | 168.3 | 83.2 | 0 | 0 | 0 | 110 | E275 L278 C280 | W273-E275 VanDerWaalsContact CE2-CD 3.47Å; W273-E275 HydrophobicContact CH2-CB 4.03Å; W273-E275 HydrophobicContact CZ2-CB 3.39Å; W273-E275 HydrophobicContact CZ2-CG 3.61Å; W273-E275 WeakPolarHBondContact CZ2-OE2 3.33Å; W273-E275 VanDerWaalsContact NE1-CG 3.29Å; W273-E275 PolarHBondContact NE1-OE1 3.42Å; W273-L278 HydrophobicContact CH2-CB 3.91Å; W273-L278 HydrophobicContact CH2-CD1 4.37Å; W273-L278 HydrophobicContact CZ3-CB 3.71Å; W273-C280 HydrophobicContact CB-CB 4.19Å; W273-C280 HydrophobicContact CE3-CB 3.9Å; W273-C280 PolarHBondContact N-O 3.37Å; W273-C280 PolarHBondContact O-N 3.43Å |
| 274 | S | 86.7 | Confident | 89.6 | Confident | 41 Ų | 41 | 58.7 Ų | 58.7 | 29% | 0.287 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 106 | 178.8 | 172.2 | 0 | 0 | 0 | 0 | 108.8 | I90 | I90-S274 WeakPolarHBondContact CD1-OG 3.25Å |
| 275 | E | 85.3 | Confident | 90.2 | Very high | 126 Ų | 126 | 51.4 Ų | 51.4 | 59% | 0.589 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 107 | 165.3 | -70.7 | 170.2 | -156.9 | 0 | 0 | 107.2 | W273 L278 | W273-E275 VanDerWaalsContact CE2-CD 3.47Å; W273-E275 HydrophobicContact CH2-CB 4.03Å; W273-E275 HydrophobicContact CZ2-CB 3.39Å; W273-E275 HydrophobicContact CZ2-CG 3.61Å; W273-E275 WeakPolarHBondContact CZ2-OE2 3.33Å; W273-E275 VanDerWaalsContact NE1-CG 3.29Å; W273-E275 PolarHBondContact NE1-OE1 3.42Å; E275-L278 CarbonylContact C-O 3.59Å; E275-L278 VanDerWaalsContact C-O 3.31Å; E275-L278 PolarHBondContact N-O 2.93Å; E275-L278 CarbonylContact O-C 3.54Å; E275-L278 WeakPolarHBondContact O-CA 3.39Å; E275-L278 PolarHBondContact O-N 2.91Å |
| 276 | L | 82.8 | Confident | 90.7 | Very high | 113 Ų | 113 | 42.7 Ų | 42.7 | 59% | 0.592 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 136.1 | -174.7 | -65.8 | 178.7 | 0 | 0 | 0 | 110.7 | Q329 | L276-Q329 HydrophobicContact CD2-CB 4.38Š|
| 277 | P | 89.2 | Confident | 91.2 | Very high | 53 Ų | 53 | 41.4 Ų | 41.4 | 34% | 0.344 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -92 | 13.6 | 15.4 | 38.7 | -38.5 | 0 | 0 | 0 | 114.8 | H328 Q329 | P277-H328 WeakPolarHBondContact CB-NE2 3.35Å; P277-H328 CarbonylContact O-C 3.59Å; P277-H328 WeakPolarHBondContact O-CA 3.27Å; P277-Q329 HydrophobicContact CB-CG 3.83Å; P277-Q329 PolarHBondContact O-N 3.12Å |
| 278 | L | 91.9 | Very high | 91.5 | Very high | 52 Ų | 52 | 40.4 Ų | 40.4 | 27% | 0.272 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.2 | -174.3 | -61.1 | -179.8 | 0 | 0 | 0 | 112.8 | W273 E275 L327 H328 L334 | W273-L278 HydrophobicContact CH2-CB 3.91Å; W273-L278 HydrophobicContact CH2-CD1 4.37Å; W273-L278 HydrophobicContact CZ3-CB 3.71Å; E275-L278 CarbonylContact C-O 3.59Å; E275-L278 VanDerWaalsContact C-O 3.31Å; E275-L278 PolarHBondContact N-O 2.93Å; E275-L278 CarbonylContact O-C 3.54Å; E275-L278 WeakPolarHBondContact O-CA 3.39Å; E275-L278 PolarHBondContact O-N 2.91Å; L278-L327 WeakPolarHBondContact CA-O 3.29Å; L278-H328 HydrophobicContact CD2-CB 4.41Å; L278-L334 HydrophobicContact CD2-CD1 3.49Å; L278-L334 VanDerWaalsContact CD2-CD1 3.49Å |
| 279 | V | 91 | Very high | 91.7 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 128.6 | 174.8 | -174.8 | 0 | 0 | 0 | 0 | 109 | I90 L94 V271 I326 L327 | I90-V279 HydrophobicContact CG2-CG1 4.41Å; L94-V279 HydrophobicContact CD1-CG1 3.93Å; L94-V279 HydrophobicContact CD2-CG1 4.2Å; V271-V279 HydrophobicContact CG1-CG1 4.28Å; V279-I326 WeakPolarHBondContact O-CA 3.33Å; V279-L327 PolarHBondContact N-O 2.95Å; V279-L327 PolarHBondContact O-N 3.45Å |
| 280 | C | 93.8 | Very high | 91.8 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 12% | 0.115 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120 | 170.5 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | I272 W273 L325 | I272-C280 PolarHBondContact N-O 3.25Å; W273-C280 HydrophobicContact CB-CB 4.19Å; W273-C280 HydrophobicContact CE3-CB 3.9Å; W273-C280 PolarHBondContact N-O 3.37Å; W273-C280 PolarHBondContact O-N 3.43Å; C280-L325 CarbonylContact C-O 3.58Å; C280-L325 WeakPolarHBondContact CA-O 3.49Å |
| 281 | M | 93.4 | Very high | 92 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 156.5 | 178.8 | 74.2 | 175 | -166 | 0 | 0 | 111.8 | L94 F97 V98 D270 M324 L325 L327 | L94-M281 HydrophobicContact CB-SD 4.1Å; L94-M281 HydrophobicContact CD1-CB 4.33Å; L94-M281 HydrophobicContact CD1-SD 4.12Å; L94-M281 HydrophobicContact CD2-SD 3.74Å; L94-M281 HydrophobicContact CG-SD 4.19Å; F97-M281 HydrophobicContact CD1-CE 3.96Å; F97-M281 HydrophobicContact CE1-CE 4.07Å; V98-M281 HydrophobicContact CG2-CE 3.28Å; V98-M281 HydrophobicContact CG2-SD 4.1Å; D270-M281 CarbonylContact O-C 3.54Å; D270-M281 VanDerWaalsContact O-CA 3.25Å; D270-M281 WeakPolarHBondContact O-CA 3.47Å; M281-M324 WeakPolarHBondContact O-CA 3.49Å; M281-L325 HydrophobicContact CE-CB 4.22Å; M281-L325 HydrophobicContact CE-CD1 3.64Å; M281-L325 HydrophobicContact CE-CD2 4.02Å; M281-L325 HydrophobicContact CE-CG 4.18Å; M281-L325 HydrophobicContact CG-CB 4.1Å; M281-L325 HydrophobicContact CG-CD1 4.19Å; M281-L325 PolarHBondContact N-O 2.76Å; M281-L325 PolarHBondContact O-N 2.8Å; M281-L327 HydrophobicContact CE-CD1 3.8Å; M281-L327 HydrophobicContact CG-CD1 3.75Å; M281-L327 HydrophobicContact SD-CD1 3.83Å |
| 282 | R | 94.3 | Very high | 91.8 | Very high | 72 Ų | 72 | 38.9 Ų | 38.9 | 27% | 0.272 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 123.5 | 168.2 | -175.9 | 175.2 | 63.7 | -171.4 | 1.7 | 109.1 | L269 D270 I272 R323 M324 | L269-R282 WeakPolarHBondContact CA-O 3.28Å; D270-R282 HydrophobicContact CB-CB 4.31Å; D270-R282 PolarHBondContact N-O 3.26Å; D270-R282 PolarHBondContact O-N 3.45Å; D270-R282 IonicContact OD2-CZ 3.27Å; D270-R282 VanDerWaalsContact OD2-CZ 3.26Å; D270-R282 IonicContact OD2-NE 3.04Å; D270-R282 PolarHBondContact OD2-NE 3.41Å; D270-R282 IonicContact OD2-NH2 2.91Å; D270-R282 PolarHBondContact OD2-NH2 3.11Å; I272-R282 HydrophobicContact CD1-CB 3.88Å; R282-R323 CarbonylContact C-O 3.51Å; R282-R323 WeakPolarHBondContact CA-O 3.32Å; R282-M324 HydrophobicContact CB-SD 3.55Å; R282-M324 VanDerWaalsContact CB-SD 3.55Å; R282-M324 HydrophobicContact CG-SD 3.73Å |
| 283 | Y | 94.9 | Very high | 91.5 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 5% | 0.051 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.5 | 167.8 | 178.2 | -115 | 0 | 0 | 0 | 109.5 | V98 I102 S267 H268 C285 C322 R323 | V98-Y283 HydrophobicContact CG1-CD1 4.05Å; V98-Y283 HydrophobicContact CG1-CD2 3.67Å; V98-Y283 HydrophobicContact CG1-CE1 4Å; V98-Y283 HydrophobicContact CG1-CE2 3.65Å; V98-Y283 HydrophobicContact CG1-CG 3.87Å; I102-Y283 HydrophobicContact CD1-CE1 3.92Å; I102-Y283 HydrophobicContact CG1-CE1 4Å; S267-Y283 PolarHBondContact OG-OH 2.94Å; H268-Y283 CarbonylContact O-C 3.49Å; H268-Y283 WeakPolarHBondContact O-CA 3.45Å; H268-Y283 WeakPolarHBondContact O-CD2 3.35Å; Y283-C285 HydrophobicContact CE1-CB 4.15Å; Y283-C285 HydrophobicContact CE2-CB 4.42Å; Y283-C285 WeakPolarHBondContact OH-CB 3.49Å; Y283-C322 CarbonylContact O-C 3.31Å; Y283-C322 WeakPolarHBondContact O-CA 3.48Å; Y283-R323 PolarHBondContact N-O 2.85Å; Y283-R323 PolarHBondContact O-N 2.9Å |
| 284 | S | 94.9 | Very high | 91.4 | Very high | 20 Ų | 20 | 48 Ų | 48 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132 | 176.6 | -53.5 | 0 | 0 | 0 | 0 | 109.9 | S267 H268 V321 | S267-S284 CarbonylContact C-O 3.53Å; S267-S284 WeakPolarHBondContact CA-O 3.38Å; H268-S284 PolarHBondContact N-O 2.88Å; H268-S284 PolarHBondContact O-N 2.91Å; S284-V321 CarbonylContact C-O 3.46Å; S284-V321 VanDerWaalsContact CA-O 3.25Å; S284-V321 WeakPolarHBondContact CA-O 3.49Å |
| 285 | C | 95.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 166.9 | 174.6 | 78.5 | 0 | 0 | 0 | 0 | 113.2 | H260 Y266 S267 Y283 V321 | H260-C285 PolarHBondContact CD2-SG 3.22Å; Y266-C285 WeakPolarHBondContact O-CA 3.4Å; S267-C285 VanDerWaalsContact OG-CB 3.22Å; S267-C285 WeakPolarHBondContact OG-CB 3.45Å; Y283-C285 HydrophobicContact CE1-CB 4.15Å; Y283-C285 HydrophobicContact CE2-CB 4.42Å; Y283-C285 WeakPolarHBondContact OH-CB 3.49Å; C285-V321 PolarHBondContact N-O 3.2Å; C285-V321 PolarHBondContact O-N 2.77Å |
| 286 | I | 95.7 | Very high | 91.5 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 145.3 | 165 | -58.1 | 176.5 | 0 | 0 | 0 | 109 | V261 Y266 V318 R319 L343 C351 I355 | V261-I286 HydrophobicContact CB-CB 4.38Å; V261-I286 WeakPolarHBondContact CB-O 3.36Å; V261-I286 HydrophobicContact CG2-CB 4.39Å; V261-I286 HydrophobicContact CG2-CG2 4.36Å; V261-I286 PolarHBondContact N-O 3.49Å; Y266-I286 HydrophobicContact CD1-CD1 3.76Å; Y266-I286 HydrophobicContact CG-CD1 3.84Å; Y266-I286 PolarHBondContact O-N 3.41Å; I286-V318 HydrophobicContact CG2-CG1 3.42Å; I286-V318 VanDerWaalsContact CG2-CG1 3.42Å; I286-R319 CarbonylContact C-O 3.49Å; I286-R319 WeakPolarHBondContact CA-O 3.41Å; I286-L343 HydrophobicContact CD1-CD1 4.01Å; I286-L343 HydrophobicContact CD1-CD2 4.17Å; I286-L343 HydrophobicContact CG1-CD1 4.2Å; I286-L343 HydrophobicContact CG2-CD2 4.5Å; I286-C351 HydrophobicContact CD1-CB 4.08Å; I286-C351 VanDerWaalsContact CD1-SG 3.53Å; I286-I355 HydrophobicContact CG2-CD1 4.08Å; I286-I355 HydrophobicContact CG2-CG1 4.2Å |
| 287 | A | 96.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 147.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L258 V259 R319 V321 | L258-A287 HydrophobicContact CB-CB 4.29Å; L258-A287 HydrophobicContact CD2-CB 4.39Å; V259-A287 CarbonylContact O-C 3.57Å; V259-A287 VanDerWaalsContact O-CA 3.23Å; V259-A287 WeakPolarHBondContact O-CA 3.36Å; A287-R319 PolarHBondContact N-O 3.03Å; A287-R319 PolarHBondContact O-N 3.42Å; A287-V321 HydrophobicContact CB-CG2 3.85Å |
| 288 | A | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L258 V259 Y316 I355 V359 | L258-A288 WeakPolarHBondContact CA-O 3.24Å; V259-A288 HydrophobicContact CB-CB 4.42Å; V259-A288 PolarHBondContact N-O 2.92Å; V259-A288 PolarHBondContact O-N 3.26Å; A288-Y316 HydrophobicContact CB-CD1 3.77Å; A288-Y316 HydrophobicContact CB-CG 4.3Å; A288-I355 HydrophobicContact CB-CG2 3.99Å; A288-V359 HydrophobicContact CB-CG2 3.61Å |
| 289 | E | 95.5 | Very high | 91 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.2 | 174.8 | -176.8 | -174.9 | 161.4 | 0 | 0 | 109.1 | Y156 P256 L258 V291 Y316 A317 R319 | Y156-E289 VanDerWaalsContact CE2-OE2 3.22Å; Y156-E289 WeakPolarHBondContact CE2-OE2 3.33Å; Y156-E289 VanDerWaalsContact OH-CD 3.23Å; Y156-E289 PolarHBondContact OH-OE2 3.45Å; P256-E289 HydrophobicContact CB-CG 4.03Å; L258-E289 HydrophobicContact CD2-CB 3.74Å; L258-E289 HydrophobicContact CD2-CG 4.19Å; E289-V291 PolarHBondContact O-N 3.42Å; E289-Y316 CarbonylContact O-C 3.55Å; E289-Y316 WeakPolarHBondContact O-CA 3.25Å; E289-A317 HydrophobicContact CB-CB 4.42Å; E289-A317 WeakPolarHBondContact CB-O 3.38Å; E289-A317 PolarHBondContact N-O 3.43Å; E289-A317 PolarHBondContact O-N 3.19Å; E289-R319 HydrophobicContact CB-CG 4.36Å; E289-R319 IonicContact OE1-NH2 3.26Å; E289-R319 IonicContact OE2-CZ 2.74Å; E289-R319 VanDerWaalsContact OE2-CZ 3.27Å; E289-R319 IonicContact OE2-NE 3.01Å; E289-R319 PolarHBondContact OE2-NE 2.87Å; E289-R319 IonicContact OE2-NH2 3.83Å; E289-R319 PolarHBondContact OE2-NH2 2.99Å |
| 290 | S | 93.2 | Very high | 90.6 | Very high | 59 Ų | 59 | 49.8 Ų | 49.8 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 129.7 | 177.1 | -175 | 0 | 0 | 0 | 0 | 110.5 | ||
| 291 | V | 92.4 | Very high | 89.9 | Confident | 14 Ų | 14 | 56 Ų | 56 | 9% | 0.085 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 122.1 | 173.7 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | L152 E289 Q293 T295 L300 L307 N315 A317 | L152-V291 HydrophobicContact CD1-CG2 4.46Å; L152-V291 HydrophobicContact CD2-CG1 4.25Å; E289-V291 PolarHBondContact O-N 3.42Å; V291-Q293 PolarHBondContact O-N 2.75Å; V291-T295 HydrophobicContact CG1-CG2 4.36Å; V291-L300 HydrophobicContact CG1-CD2 3.9Å; V291-L307 HydrophobicContact CG2-CD2 3.8Å; V291-N315 HydrophobicContact CB-CB 4.19Å; V291-N315 WeakPolarHBondContact CB-O 3.48Å; V291-N315 HydrophobicContact CG2-CB 4.35Å; V291-N315 PolarHBondContact N-O 3.27Å; V291-A317 HydrophobicContact CG2-CB 4.2Å |
| 292 | P | 88.1 | Confident | 88.9 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 42% | 0.416 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 136.7 | 177.7 | -25.4 | 34.5 | 0 | 0 | 0 | 112 | D294 T295 | P292-D294 WeakPolarHBondContact CB-OD1 3.43Å; P292-D294 PolarHBondContact O-N 3.5Å; P292-T295 VanDerWaalsContact O-CB 3.23Å; P292-T295 WeakPolarHBondContact O-CB 3.22Å; P292-T295 PolarHBondContact O-N 2.6Å; P292-T295 PolarHBondContact O-OG1 2.95Å |
| 293 | Q | 83.3 | Confident | 88.2 | Confident | 206 Ų | 206 | 55 Ų | 55 | 96% | 0.963 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24.7 | -176.4 | -67.1 | -177.2 | -2.6 | 0 | 0 | 113.3 | V291 T295 | V291-Q293 PolarHBondContact O-N 2.75Å; Q293-T295 VanDerWaalsContact C-N 3.27Å |
| 294 | D | 85.4 | Confident | 87.6 | Confident | 139 Ų | 139 | 58.2 Ų | 58.2 | 74% | 0.743 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -0.4 | 176.7 | 64.3 | -40 | 0 | 0 | 0 | 113.5 | P292 R296 | P292-D294 WeakPolarHBondContact CB-OD1 3.43Å; P292-D294 PolarHBondContact O-N 3.5Å; D294-R296 PolarHBondContact O-N 3.43Å |
| 295 | T | 85.8 | Confident | 87 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 18% | 0.184 | 34% | 0.339 | C | S | . | . | trans | -64.6 | 123.9 | 176.6 | -52.6 | 0 | 0 | 0 | 0 | 110.3 | L152 V291 P292 Q293 D299 L300 | L152-T295 HydrophobicContact CD2-CG2 4.42Å; V291-T295 HydrophobicContact CG1-CG2 4.36Å; P292-T295 VanDerWaalsContact O-CB 3.23Å; P292-T295 WeakPolarHBondContact O-CB 3.22Å; P292-T295 PolarHBondContact O-N 2.6Å; P292-T295 PolarHBondContact O-OG1 2.95Å; Q293-T295 VanDerWaalsContact C-N 3.27Å; T295-D299 HydrophobicContact CG2-CB 4Å; T295-L300 HydrophobicContact CG2-CD2 3.57Å; T295-L300 HydrophobicContact CG2-CG 4.01Å | ||
| 296 | R | 86.8 | Confident | 86.6 | Confident | 161 Ų | 161 | 61.1 Ų | 61.1 | 61% | 0.608 | 34% | 0.341 | S | S | * | . | trans | -65.3 | 141.7 | -179 | -65.9 | 176.6 | -73.7 | -163.9 | -8.5 | 110.7 | D294 S298 D299 | D294-R296 PolarHBondContact O-N 3.43Å; R296-S298 PolarHBondContact O-N 3.09Å; R296-S298 VanDerWaalsContact O-N 3.14Å; R296-D299 HydrophobicContact CB-CB 4.5Å; R296-D299 IonicContact CZ-OD2 3.34Å; R296-D299 IonicContact NE-OD2 2.64Å; R296-D299 PolarHBondContact NE-OD2 2.86Å; R296-D299 IonicContact NH2-OD2 3.5Å; R296-D299 PolarHBondContact NH2-OD2 3.1Å; R296-D299 WeakPolarHBondContact O-CA 3.21Å; R296-D299 WeakPolarHBondContact O-CB 3.34Å; R296-D299 PolarHBondContact O-N 3.35Å | ||
| 297 | P | 85 | Confident | 86.4 | Confident | 104 Ų | 104 | 62.4 Ų | 62.4 | 68% | 0.675 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -53.5 | -37.2 | 176.2 | -28 | 34.9 | 0 | 0 | 0 | 113.6 | D299 L300 E301 | P297-D299 PolarHBondContact O-N 3.36Å; P297-L300 WeakPolarHBondContact O-CB 3.31Å; P297-L300 PolarHBondContact O-N 2.99Å; P297-E301 PolarHBondContact O-N 2.94Å |
| 298 | S | 84.9 | Confident | 86.3 | Confident | 68 Ų | 68 | 63.6 Ų | 63.6 | 48% | 0.476 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.5 | -28.5 | 175.9 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | R296 L300 | R296-S298 PolarHBondContact O-N 3.09Å; R296-S298 VanDerWaalsContact O-N 3.14Å; S298-L300 VanDerWaalsContact C-N 3.27Å |
| 299 | D | 83.7 | Confident | 86.1 | Confident | 32 Ų | 32 | 69 Ų | 69 | 17% | 0.171 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -79.3 | -16.2 | 179.9 | -63.3 | -23.3 | 0 | 0 | 0 | 111.2 | P151 T295 R296 P297 | P151-D299 HydrophobicContact CB-CB 3.91Å; P151-D299 HydrophobicContact CG-CB 3.86Å; T295-D299 HydrophobicContact CG2-CB 4Å; R296-D299 HydrophobicContact CB-CB 4.5Å; R296-D299 IonicContact CZ-OD2 3.34Å; R296-D299 IonicContact NE-OD2 2.64Å; R296-D299 PolarHBondContact NE-OD2 2.86Å; R296-D299 IonicContact NH2-OD2 3.5Å; R296-D299 PolarHBondContact NH2-OD2 3.1Å; R296-D299 WeakPolarHBondContact O-CA 3.21Å; R296-D299 WeakPolarHBondContact O-CB 3.34Å; R296-D299 PolarHBondContact O-N 3.35Å; P297-D299 PolarHBondContact O-N 3.36Å |
| 300 | L | 83.9 | Confident | 86 | Confident | 29 Ų | 29 | 68.6 Ų | 68.6 | 15% | 0.152 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -96.6 | -22.3 | 179.7 | -56.7 | -177.3 | 0 | 0 | 0 | 113.7 | L152 V291 T295 P297 S298 G302 I303 S304 L307 | L152-L300 HydrophobicContact CD1-CD2 3.39Å; L152-L300 HydrophobicContact CG-CD2 4.25Å; V291-L300 HydrophobicContact CG1-CD2 3.9Å; T295-L300 HydrophobicContact CG2-CD2 3.57Å; T295-L300 HydrophobicContact CG2-CG 4.01Å; P297-L300 WeakPolarHBondContact O-CB 3.31Å; P297-L300 PolarHBondContact O-N 2.99Å; S298-L300 VanDerWaalsContact C-N 3.27Å; L300-G302 PolarHBondContact O-N 2.86Å; L300-G302 VanDerWaalsContact O-N 3.1Å; L300-I303 PolarHBondContact O-N 2.93Å; L300-I303 VanDerWaalsContact O-N 3.07Å; L300-S304 PolarHBondContact O-N 2.8Å; L300-L307 HydrophobicContact CB-CD1 4.12Å; L300-L307 HydrophobicContact CD1-CD1 4.38Å; L300-L307 HydrophobicContact CD2-CD1 4.27Å |
| 301 | E | 78.2 | Confident | 85.8 | Confident | 149 Ų | 149 | 69.5 Ų | 69.5 | 70% | 0.696 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -52.9 | -37.1 | -175.5 | -74.8 | 178.9 | -168.3 | 0 | 0 | 113.5 | P297 I303 | P297-E301 PolarHBondContact O-N 2.94Å; E301-I303 VanDerWaalsContact C-N 3.31Å; E301-I303 PolarHBondContact O-N 2.81Å |
| 302 | G | 72.1 | Confident | 85.7 | Confident | 49 Ų | 49 | 74.3 Ų | 74.3 | 51% | 0.505 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -82.1 | -1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L300 | L300-G302 PolarHBondContact O-N 2.86Å; L300-G302 VanDerWaalsContact O-N 3.1Å |
| 303 | I | 79.6 | Confident | 85.9 | Confident | 2 Ų | 2 | 74.7 Ų | 74.7 | 1% | 0.01 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -139.9 | 18 | -178.4 | 68 | 138 | 0 | 0 | 0 | 112.8 | Q150 L152 L300 E301 D305 Q306 L307 | Q150-I303 HydrophobicContact CB-CG2 4.18Å; Q150-I303 VanDerWaalsContact CD-CG2 3.47Å; Q150-I303 HydrophobicContact CG-CG2 3.85Å; L152-I303 HydrophobicContact CB-CD1 4.39Å; L152-I303 HydrophobicContact CD1-CD1 3.1Å; L152-I303 HydrophobicContact CD1-CG1 3.92Å; L152-I303 HydrophobicContact CG-CD1 4.34Å; L300-I303 PolarHBondContact O-N 2.93Å; L300-I303 VanDerWaalsContact O-N 3.07Å; E301-I303 VanDerWaalsContact C-N 3.31Å; E301-I303 PolarHBondContact O-N 2.81Å; I303-D305 PolarHBondContact O-N 2.79Å; I303-D305 VanDerWaalsContact O-N 3.09Å; I303-Q306 HydrophobicContact CB-CB 4.44Å; I303-Q306 WeakPolarHBondContact O-CA 3.45Å; I303-Q306 WeakPolarHBondContact O-CB 3.23Å; I303-Q306 PolarHBondContact O-N 3.4Å; I303-L307 HydrophobicContact CD1-CD1 4.49Å; I303-L307 HydrophobicContact CD1-CD2 3.73Å; I303-L307 HydrophobicContact CD1-CG 4.03Å; I303-L307 HydrophobicContact CG1-CG 4.47Å |
| 304 | S | 81.7 | Confident | 86.3 | Confident | 80 Ų | 80 | 66.2 Ų | 66.2 | 56% | 0.559 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -57.1 | -27.6 | -176.8 | 55 | 0 | 0 | 0 | 0 | 113.1 | L300 Q306 L307 | L300-S304 PolarHBondContact O-N 2.8Å; S304-Q306 PolarHBondContact O-N 2.89Å; S304-L307 PolarHBondContact O-N 2.82Å |
| 305 | D | 83.4 | Confident | 86.7 | Confident | 73 Ų | 73 | 62.9 Ų | 62.9 | 39% | 0.39 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -75.7 | -3.5 | 175.4 | 70.9 | -34.6 | 0 | 0 | 0 | 114.4 | I303 S345 L348 | I303-D305 PolarHBondContact O-N 2.79Å; I303-D305 VanDerWaalsContact O-N 3.09Å; D305-S345 WeakPolarHBondContact O-CB 3.46Å; D305-L348 WeakPolarHBondContact O-CD2 3.44Å |
| 306 | Q | 86.6 | Confident | 87.1 | Confident | 9 Ų | 9 | 61.7 Ų | 61.7 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -111.4 | -2.5 | 175.5 | -58.9 | 166.9 | 41.4 | 0 | 0 | 112.3 | I303 S304 V318 P342 | I303-Q306 HydrophobicContact CB-CB 4.44Å; I303-Q306 WeakPolarHBondContact O-CA 3.45Å; I303-Q306 WeakPolarHBondContact O-CB 3.23Å; I303-Q306 PolarHBondContact O-N 3.4Å; S304-Q306 PolarHBondContact O-N 2.89Å; Q306-V318 PolarHBondContact O-N 3.35Å; Q306-P342 HydrophobicContact CG-CB 4.18Å; Q306-P342 VanDerWaalsContact OE1-CB 3.29Å |
| 307 | L | 91.8 | Very high | 87.5 | Confident | 33 Ų | 33 | 54 Ų | 54 | 17% | 0.173 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 137.8 | -177.3 | -65.9 | -179.9 | 0 | 0 | 0 | 111 | V291 L300 I303 S304 Y316 A317 | V291-L307 HydrophobicContact CG2-CD2 3.8Å; L300-L307 HydrophobicContact CB-CD1 4.12Å; L300-L307 HydrophobicContact CD1-CD1 4.38Å; L300-L307 HydrophobicContact CD2-CD1 4.27Å; I303-L307 HydrophobicContact CD1-CD1 4.49Å; I303-L307 HydrophobicContact CD1-CD2 3.73Å; I303-L307 HydrophobicContact CD1-CG 4.03Å; I303-L307 HydrophobicContact CG1-CG 4.47Å; S304-L307 PolarHBondContact O-N 2.82Å; L307-Y316 CarbonylContact C-O 3.54Å; L307-Y316 WeakPolarHBondContact CA-O 3.33Å; L307-A317 HydrophobicContact CD2-CB 4.02Å |
| 308 | L | 93.5 | Very high | 87.9 | Confident | 25 Ų | 25 | 49.1 Ų | 49.1 | 13% | 0.131 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123.2 | 170.1 | -174.3 | 64.9 | 0 | 0 | 0 | 108.5 | I310 Y316 V318 L348 I355 | L308-I310 HydrophobicContact CB-CG1 4.48Å; L308-I310 HydrophobicContact CD2-CD1 4.03Å; L308-I310 HydrophobicContact CD2-CG1 3.96Å; L308-I310 HydrophobicContact CG-CD1 4.41Å; L308-I310 HydrophobicContact CG-CG1 3.88Å; L308-Y316 PolarHBondContact N-O 3.01Å; L308-Y316 PolarHBondContact O-N 3.14Å; L308-V318 HydrophobicContact CB-CG2 4.15Å; L308-L348 HydrophobicContact CB-CD1 4.49Å; L308-I355 HydrophobicContact CD2-CB 3.95Å; L308-I355 HydrophobicContact CD2-CD1 4.43Å; L308-I355 HydrophobicContact CD2-CG2 3.8Å |
| 309 | N | 93.4 | Very high | 88.4 | Confident | 112 Ų | 112 | 45.9 Ų | 45.9 | 60% | 0.599 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 117 | 171.3 | -176.9 | 10.1 | 0 | 0 | 0 | 109 | G314 | N309-G314 PolarHBondContact OD1-O 3.39Å |
| 310 | I | 93.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 95.2 | -178 | -53.4 | 178.2 | 0 | 0 | 0 | 107.3 | L308 Y313 G314 Y316 I355 T356 V359 | L308-I310 HydrophobicContact CB-CG1 4.48Å; L308-I310 HydrophobicContact CD2-CD1 4.03Å; L308-I310 HydrophobicContact CD2-CG1 3.96Å; L308-I310 HydrophobicContact CG-CD1 4.41Å; L308-I310 HydrophobicContact CG-CG1 3.88Å; I310-Y313 HydrophobicContact CG2-CD2 3.93Å; I310-Y313 CarbonylContact O-C 3.6Å; I310-Y313 WeakPolarHBondContact O-CA 3.47Å; I310-Y313 PolarHBondContact O-N 2.77Å; I310-G314 PolarHBondContact N-O 3.33Å; I310-G314 PolarHBondContact O-N 2.86Å; I310-Y316 HydrophobicContact CB-CD2 4.07Å; I310-Y316 HydrophobicContact CB-CE2 4.33Å; I310-Y316 HydrophobicContact CD1-CD2 3.68Å; I310-Y316 HydrophobicContact CD1-CE2 4.36Å; I310-Y316 HydrophobicContact CD1-CG 3.93Å; I310-Y316 HydrophobicContact CG1-CD2 3.98Å; I310-I355 HydrophobicContact CD1-CG2 4.1Å; I310-T356 HydrophobicContact CG2-CG2 3.95Å; I310-V359 HydrophobicContact CD1-CB 3.92Å; I310-V359 HydrophobicContact CD1-CG1 4.15Å; I310-V359 HydrophobicContact CD1-CG2 3.69Å; I310-V359 HydrophobicContact CG2-CB 4.45Å; I310-V359 HydrophobicContact CG2-CG1 4.25Å |
| 311 | A | 88.7 | Confident | 89.4 | Confident | 79 Ų | 79 | 46 Ų | 46 | 65% | 0.653 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | 140.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 312 | P | 90.5 | Very high | 90.2 | Very high | 115 Ų | 115 | 40.6 Ų | 40.6 | 75% | 0.747 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.9 | 7.5 | -1.2 | 36.9 | -36.2 | 0 | 0 | 0 | 114.3 | ||
| 313 | Y | 91.5 | Very high | 91.3 | Very high | 71 Ų | 71 | 38.3 Ų | 38.3 | 28% | 0.278 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -10.6 | -168.5 | -47.1 | -61.6 | 0 | 0 | 0 | 115.4 | I310 V359 M363 | I310-Y313 HydrophobicContact CG2-CD2 3.93Å; I310-Y313 CarbonylContact O-C 3.6Å; I310-Y313 WeakPolarHBondContact O-CA 3.47Å; I310-Y313 PolarHBondContact O-N 2.77Å; Y313-V359 HydrophobicContact CD2-CG1 3.96Å; Y313-V359 HydrophobicContact CG-CG1 4.42Å; Y313-M363 HydrophobicContact CD1-CB 3.99Å; Y313-M363 HydrophobicContact CD1-CG 3.67Å; Y313-M363 HydrophobicContact CD1-SD 4.36Å; Y313-M363 HydrophobicContact CD2-CG 4.28Å; Y313-M363 HydrophobicContact CE1-CB 3.43Å; Y313-M363 VanDerWaalsContact CE1-CB 3.43Å; Y313-M363 HydrophobicContact CE1-CG 3.67Å; Y313-M363 HydrophobicContact CE2-CB 4.25Å; Y313-M363 HydrophobicContact CE2-CG 4.28Å; Y313-M363 HydrophobicContact CG-CG 3.98Å |
| 314 | G | 92.3 | Very high | 92.1 | Very high | 28 Ų | 28 | 40.9 Ų | 40.9 | 29% | 0.289 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 95.6 | -156 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | N309 I310 Y316 | N309-G314 PolarHBondContact OD1-O 3.39Å; I310-G314 PolarHBondContact N-O 3.33Å; I310-G314 PolarHBondContact O-N 2.86Å; G314-Y316 WeakPolarHBondContact O-CD2 3.36Å |
| 315 | N | 93.5 | Very high | 92.8 | Very high | 70 Ų | 70 | 37.2 Ų | 37.2 | 37% | 0.374 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 136.7 | -175 | -67.4 | -47.5 | 0 | 0 | 0 | 112 | V291 | V291-N315 HydrophobicContact CB-CB 4.19Å; V291-N315 WeakPolarHBondContact CB-O 3.48Å; V291-N315 HydrophobicContact CG2-CB 4.35Å; V291-N315 PolarHBondContact N-O 3.27Å |
| 316 | Y | 94.9 | Very high | 93.3 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.02 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 135 | 175.1 | -73.3 | -99.4 | 0 | 0 | 0 | 110.3 | A288 E289 L307 L308 I310 G314 V359 M363 | A288-Y316 HydrophobicContact CB-CD1 3.77Å; A288-Y316 HydrophobicContact CB-CG 4.3Å; E289-Y316 CarbonylContact O-C 3.55Å; E289-Y316 WeakPolarHBondContact O-CA 3.25Å; L307-Y316 CarbonylContact C-O 3.54Å; L307-Y316 WeakPolarHBondContact CA-O 3.33Å; L308-Y316 PolarHBondContact N-O 3.01Å; L308-Y316 PolarHBondContact O-N 3.14Å; I310-Y316 HydrophobicContact CB-CD2 4.07Å; I310-Y316 HydrophobicContact CB-CE2 4.33Å; I310-Y316 HydrophobicContact CD1-CD2 3.68Å; I310-Y316 HydrophobicContact CD1-CE2 4.36Å; I310-Y316 HydrophobicContact CD1-CG 3.93Å; I310-Y316 HydrophobicContact CG1-CD2 3.98Å; G314-Y316 WeakPolarHBondContact O-CD2 3.36Å; Y316-V359 HydrophobicContact CD1-CG2 4.37Å; Y316-V359 HydrophobicContact CE1-CG1 4.11Å; Y316-V359 HydrophobicContact CE1-CG2 4.36Å; Y316-V359 HydrophobicContact CE2-CG1 4.05Å; Y316-M363 WeakPolarHBondContact OH-CE 3.38Å |
| 317 | A | 94 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 128.3 | 167 | 0 | 0 | 0 | 0 | 0 | 109 | E289 V291 L307 | E289-A317 HydrophobicContact CB-CB 4.42Å; E289-A317 WeakPolarHBondContact CB-O 3.38Å; E289-A317 PolarHBondContact N-O 3.43Å; E289-A317 PolarHBondContact O-N 3.19Å; V291-A317 HydrophobicContact CG2-CB 4.2Å; L307-A317 HydrophobicContact CD2-CB 4.02Å |
| 318 | V | 94.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 125.1 | -176.9 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | I286 Q306 L308 L343 L348 I355 | I286-V318 HydrophobicContact CG2-CG1 3.42Å; I286-V318 VanDerWaalsContact CG2-CG1 3.42Å; Q306-V318 PolarHBondContact O-N 3.35Å; L308-V318 HydrophobicContact CB-CG2 4.15Å; V318-L343 HydrophobicContact CB-CB 4.47Å; V318-L343 HydrophobicContact CG1-CB 3.97Å; V318-L343 HydrophobicContact CG1-CD2 3.61Å; V318-L343 HydrophobicContact CG1-CG 4.42Å; V318-L343 PolarHBondContact O-N 3.11Å; V318-L348 HydrophobicContact CB-CD1 3.69Å; V318-L348 HydrophobicContact CG1-CD1 4.08Å; V318-L348 HydrophobicContact CG2-CD1 3.42Å; V318-L348 VanDerWaalsContact CG2-CD1 3.42Å; V318-I355 HydrophobicContact CG1-CD1 3.76Å; V318-I355 HydrophobicContact CG2-CD1 4.06Å |
| 319 | R | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 147.9 | -176 | -53 | -55.3 | -173.4 | -170.7 | 4.7 | 110.6 | W153 L258 I286 A287 E289 V340 T341 | W153-R319 VanDerWaalsContact CE2-NH1 3.25Å; L258-R319 HydrophobicContact CD2-CG 4.47Å; I286-R319 CarbonylContact C-O 3.49Å; I286-R319 WeakPolarHBondContact CA-O 3.41Å; A287-R319 PolarHBondContact N-O 3.03Å; A287-R319 PolarHBondContact O-N 3.42Å; E289-R319 HydrophobicContact CB-CG 4.36Å; E289-R319 IonicContact OE1-NH2 3.26Å; E289-R319 IonicContact OE2-CZ 2.74Å; E289-R319 VanDerWaalsContact OE2-CZ 3.27Å; E289-R319 IonicContact OE2-NE 3.01Å; E289-R319 PolarHBondContact OE2-NE 2.87Å; E289-R319 IonicContact OE2-NH2 3.83Å; E289-R319 PolarHBondContact OE2-NH2 2.99Å; R319-V340 HydrophobicContact CB-CG1 3.95Å; R319-V340 HydrophobicContact CG-CG1 4.12Å; R319-T341 WeakPolarHBondContact CA-O 3.37Å |
| 320 | L | 94.5 | Very high | 93.1 | Very high | 62 Ų | 62 | 39 Ų | 39 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125 | 159.3 | -176.7 | 71.5 | 0 | 0 | 0 | 107.7 | V340 T341 | L320-V340 WeakPolarHBondContact O-CA 3.49Å; L320-T341 PolarHBondContact N-O 3.34Å; L320-T341 PolarHBondContact O-N 2.89Å |
| 321 | V | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 126.8 | 178.4 | 170.7 | 0 | 0 | 0 | 0 | 107.8 | L258 S284 C285 A287 R323 | L258-V321 HydrophobicContact CD1-CG2 4.2Å; S284-V321 CarbonylContact C-O 3.46Å; S284-V321 VanDerWaalsContact CA-O 3.25Å; S284-V321 WeakPolarHBondContact CA-O 3.49Å; C285-V321 PolarHBondContact N-O 3.2Å; C285-V321 PolarHBondContact O-N 2.77Å; A287-V321 HydrophobicContact CB-CG2 3.85Å; V321-R323 HydrophobicContact CG1-CG 4.18Å |
| 322 | C | 94.6 | Very high | 93.3 | Very high | 36 Ų | 36 | 39.2 Ų | 39.2 | 24% | 0.243 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 123.1 | 173 | -179.5 | 0 | 0 | 0 | 0 | 109 | Y283 W338 C339 | Y283-C322 CarbonylContact O-C 3.31Å; Y283-C322 WeakPolarHBondContact O-CA 3.48Å; C322-W338 CarbonylContact O-C 3.59Å; C322-W338 WeakPolarHBondContact O-CA 3.35Å; C322-C339 PolarHBondContact N-O 3.15Å; C322-C339 PolarHBondContact O-N 3.07Å |
| 323 | R | 95.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.9 | 177.3 | -62.9 | 176.1 | -175 | -102.9 | 4.5 | 108.6 | Y101 R282 Y283 V321 L325 E336 D337 W338 | Y101-R323 PolarHBondContact OH-NH1 2.77Å; R282-R323 CarbonylContact C-O 3.51Å; R282-R323 WeakPolarHBondContact CA-O 3.32Å; Y283-R323 PolarHBondContact N-O 2.85Å; Y283-R323 PolarHBondContact O-N 2.9Å; V321-R323 HydrophobicContact CG1-CG 4.18Å; R323-L325 HydrophobicContact CB-CD1 3.65Å; R323-L325 HydrophobicContact CB-CG 4.48Å; R323-L325 WeakPolarHBondContact O-CD1 3.45Å; R323-E336 VanDerWaalsContact CD-OE1 3.28Å; R323-E336 WeakPolarHBondContact CD-OE1 3.33Å; R323-E336 IonicContact CZ-OE1 3.59Å; R323-E336 IonicContact NE-OE1 2.68Å; R323-E336 IonicContact NH1-OE1 3.44Å; R323-E336 PolarHBondContact NH1-OE1 2.89Å; R323-D337 WeakPolarHBondContact CA-O 3.48Å; R323-W338 HydrophobicContact CG-CB 4.31Å; R323-W338 HydrophobicContact CG-CG 3.98Å; R323-W338 VanDerWaalsContact NH2-CZ2 3.26Å |
| 324 | M | 95.3 | Very high | 93.9 | Very high | 55 Ų | 55 | 32.8 Ų | 32.8 | 27% | 0.271 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.4 | 168.6 | -76.7 | -72.2 | -49.9 | 0 | 0 | 107.5 | I272 M281 R282 E336 D337 | I272-M324 HydrophobicContact CD1-CE 3.25Å; I272-M324 HydrophobicContact CD1-SD 3.38Å; I272-M324 WeakPolarHBondContact CD1-SD 3.37Å; M281-M324 WeakPolarHBondContact O-CA 3.49Å; R282-M324 HydrophobicContact CB-SD 3.55Å; R282-M324 VanDerWaalsContact CB-SD 3.55Å; R282-M324 HydrophobicContact CG-SD 3.73Å; M324-E336 CarbonylContact O-C 3.59Å; M324-E336 VanDerWaalsContact O-CA 3.27Å; M324-E336 WeakPolarHBondContact O-CA 3.42Å; M324-D337 HydrophobicContact CB-CB 4.16Å; M324-D337 PolarHBondContact N-O 3.29Å; M324-D337 PolarHBondContact O-N 2.75Å |
| 325 | L | 96.1 | Very high | 94 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132 | -175 | -57.4 | 93.4 | 0 | 0 | 0 | 110.3 | F97 C280 M281 R323 L327 I333 Q335 E336 | F97-L325 HydrophobicContact CE1-CD2 4.31Å; C280-L325 CarbonylContact C-O 3.58Å; C280-L325 WeakPolarHBondContact CA-O 3.49Å; M281-L325 HydrophobicContact CE-CB 4.22Å; M281-L325 HydrophobicContact CE-CD1 3.64Å; M281-L325 HydrophobicContact CE-CD2 4.02Å; M281-L325 HydrophobicContact CE-CG 4.18Å; M281-L325 HydrophobicContact CG-CB 4.1Å; M281-L325 HydrophobicContact CG-CD1 4.19Å; M281-L325 PolarHBondContact N-O 2.76Å; M281-L325 PolarHBondContact O-N 2.8Å; R323-L325 HydrophobicContact CB-CD1 3.65Å; R323-L325 HydrophobicContact CB-CG 4.48Å; R323-L325 WeakPolarHBondContact O-CD1 3.45Å; L325-L327 HydrophobicContact CB-CD1 3.63Å; L325-L327 HydrophobicContact CB-CG 4.1Å; L325-I333 HydrophobicContact CD2-CD1 3.88Å; L325-I333 HydrophobicContact CD2-CG1 4.09Å; L325-Q335 CarbonylContact C-O 3.58Å; L325-Q335 WeakPolarHBondContact CA-O 3.21Å; L325-E336 HydrophobicContact CG-CG 4.37Å |
| 326 | I | 95.5 | Very high | 94.1 | Very high | 52 Ų | 52 | 31.2 Ų | 31.2 | 27% | 0.267 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 116.1 | 163.6 | -55.6 | 178.6 | 0 | 0 | 0 | 106.8 | V279 L334 Q335 | V279-I326 WeakPolarHBondContact O-CA 3.33Å; I326-L334 PolarHBondContact O-N 3.26Å; I326-Q335 HydrophobicContact CB-CB 4.18Å; I326-Q335 HydrophobicContact CD1-CB 4.21Å; I326-Q335 HydrophobicContact CD1-CG 4.41Å; I326-Q335 HydrophobicContact CG1-CB 4.34Å; I326-Q335 PolarHBondContact N-O 3.49Å; I326-Q335 PolarHBondContact O-N 2.94Å |
| 327 | L | 94.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 147.2 | -175.3 | -58.9 | 118.8 | 0 | 0 | 0 | 110.8 | L94 F97 L278 V279 M281 L325 K332 I333 | L94-L327 HydrophobicContact CD2-CD1 4.37Å; F97-L327 HydrophobicContact CD1-CD2 4.03Å; F97-L327 HydrophobicContact CD2-CD2 4.32Å; F97-L327 HydrophobicContact CE1-CD2 3.41Å; F97-L327 VanDerWaalsContact CE1-CD2 3.41Å; F97-L327 HydrophobicContact CE2-CD2 3.71Å; F97-L327 HydrophobicContact CG-CD2 4.46Å; F97-L327 HydrophobicContact CZ-CD2 3.24Å; L278-L327 WeakPolarHBondContact CA-O 3.29Å; V279-L327 PolarHBondContact N-O 2.95Å; V279-L327 PolarHBondContact O-N 3.45Å; M281-L327 HydrophobicContact CE-CD1 3.8Å; M281-L327 HydrophobicContact CG-CD1 3.75Å; M281-L327 HydrophobicContact SD-CD1 3.83Å; L325-L327 HydrophobicContact CB-CD1 3.63Å; L325-L327 HydrophobicContact CB-CG 4.1Å; L327-K332 CarbonylContact C-O 3.54Å; L327-K332 WeakPolarHBondContact CA-O 3.48Å; L327-I333 HydrophobicContact CD2-CB 4.46Å; L327-I333 HydrophobicContact CD2-CG1 3.55Å; L327-I333 HydrophobicContact CG-CG1 4.32Å |
| 328 | H | 92.2 | Very high | 93.9 | Very high | 61 Ų | 61 | 33.2 Ų | 33.2 | 28% | 0.282 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 147 | 160.9 | -173.1 | -99.8 | 0 | 0 | 0 | 109.9 | P277 L278 S330 G331 K332 | P277-H328 WeakPolarHBondContact CB-NE2 3.35Å; P277-H328 CarbonylContact O-C 3.59Å; P277-H328 WeakPolarHBondContact O-CA 3.27Å; L278-H328 HydrophobicContact CD2-CB 4.41Å; H328-S330 VanDerWaalsContact ND1-CB 3.35Å; H328-S330 WeakPolarHBondContact ND1-CB 3.37Å; H328-S330 PolarHBondContact ND1-N 3.35Å; H328-S330 PolarHBondContact ND1-OG 2.91Å; H328-S330 PolarHBondContact O-N 3.46Å; H328-G331 PolarHBondContact O-N 3.32Å; H328-K332 PolarHBondContact N-O 3.48Å |
| 329 | Q | 85.1 | Confident | 93.8 | Very high | 100 Ų | 100 | 34.8 Ų | 34.8 | 47% | 0.467 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -15.5 | -180 | 68.3 | -177.1 | -1.7 | 0 | 0 | 114.2 | F93 L276 P277 G331 | F93-Q329 WeakPolarHBondContact CZ-O 3.16Å; L276-Q329 HydrophobicContact CD2-CB 4.38Å; P277-Q329 HydrophobicContact CB-CG 3.83Å; P277-Q329 PolarHBondContact O-N 3.12Å; Q329-G331 PolarHBondContact O-N 3.39Å |
| 330 | S | 89 | Confident | 93.7 | Very high | 76 Ų | 76 | 34.8 Ų | 34.8 | 53% | 0.531 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 0.8 | 171.1 | 67.1 | 0 | 0 | 0 | 0 | 114.2 | H328 | H328-S330 VanDerWaalsContact ND1-CB 3.35Å; H328-S330 WeakPolarHBondContact ND1-CB 3.37Å; H328-S330 PolarHBondContact ND1-N 3.35Å; H328-S330 PolarHBondContact ND1-OG 2.91Å; H328-S330 PolarHBondContact O-N 3.46Å |
| 331 | G | 91.1 | Very high | 93.5 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 13% | 0.134 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 26.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F97 H328 Q329 | F97-G331 WeakPolarHBondContact CE2-O 3.48Å; H328-G331 PolarHBondContact O-N 3.32Å; Q329-G331 PolarHBondContact O-N 3.39Å |
| 332 | K | 95.9 | Very high | 93.3 | Very high | 73 Ų | 73 | 33 Ų | 33 | 32% | 0.317 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.4 | 176.3 | -64.4 | -63.8 | -173.2 | 174.4 | 0 | 110.5 | E116 F117 D119 L327 H328 | E116-K332 PolarHBondContact O-NZ 2.89Å; F117-K332 CarbonylContact O-C 3.49Å; F117-K332 WeakPolarHBondContact O-CA 3.37Å; D119-K332 HydrophobicContact CB-CB 4.45Å; L327-K332 CarbonylContact C-O 3.54Å; L327-K332 WeakPolarHBondContact CA-O 3.48Å; H328-K332 PolarHBondContact N-O 3.48Å |
| 333 | I | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.9 | 174.5 | -58 | 164.3 | 0 | 0 | 0 | 108.4 | F97 Y101 F117 Y118 D119 A122 L325 L327 E336 | F97-I333 HydrophobicContact CE1-CD1 4.49Å; F97-I333 HydrophobicContact CE1-CG1 4.46Å; F97-I333 HydrophobicContact CZ-CD1 3.85Å; F97-I333 HydrophobicContact CZ-CG1 3.72Å; Y101-I333 HydrophobicContact CD2-CD1 4.19Å; Y101-I333 HydrophobicContact CE2-CD1 3.93Å; F117-I333 HydrophobicContact CB-CD1 4.21Å; F117-I333 PolarHBondContact O-N 3.4Å; Y118-I333 HydrophobicContact CD1-CB 3.61Å; Y118-I333 HydrophobicContact CD1-CD1 4.03Å; Y118-I333 HydrophobicContact CD1-CG1 4.41Å; Y118-I333 HydrophobicContact CD1-CG2 3.79Å; Y118-I333 HydrophobicContact CE1-CB 3.84Å; Y118-I333 HydrophobicContact CE1-CD1 3.59Å; Y118-I333 HydrophobicContact CE1-CG1 4.33Å; Y118-I333 HydrophobicContact CE1-CG2 3.68Å; Y118-I333 HydrophobicContact CE2-CD1 4.21Å; Y118-I333 HydrophobicContact CG-CB 4.38Å; D119-I333 WeakPolarHBondContact CB-O 3.45Å; D119-I333 PolarHBondContact N-O 3.17Å; A122-I333 WeakPolarHBondContact CB-O 3.22Å; L325-I333 HydrophobicContact CD2-CD1 3.88Å; L325-I333 HydrophobicContact CD2-CG1 4.09Å; L327-I333 HydrophobicContact CD2-CB 4.46Å; L327-I333 HydrophobicContact CD2-CG1 3.55Å; L327-I333 HydrophobicContact CG-CG1 4.32Å; I333-E336 HydrophobicContact CG2-CB 4.15Å |
| 334 | L | 95.8 | Very high | 92.6 | Very high | 51 Ų | 51 | 33.8 Ų | 33.8 | 27% | 0.267 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -39.9 | 173.2 | -64.5 | 169.5 | 0 | 0 | 0 | 111.1 | D119 A122 Y123 L278 I326 | D119-L334 HydrophobicContact CB-CD2 3.7Å; A122-L334 CarbonylContact C-O 3.57Å; A122-L334 VanDerWaalsContact CA-O 3.29Å; A122-L334 WeakPolarHBondContact CA-O 3.29Å; Y123-L334 PolarHBondContact N-O 3.27Å; L278-L334 HydrophobicContact CD2-CD1 3.49Å; L278-L334 VanDerWaalsContact CD2-CD1 3.49Å; I326-L334 PolarHBondContact O-N 3.26Å |
| 335 | Q | 95.2 | Very high | 92 | Very high | 64 Ų | 64 | 33.9 Ų | 33.9 | 30% | 0.299 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 138 | 177.7 | 167.6 | 168.1 | -16.5 | 0 | 0 | 110.6 | Y123 L325 I326 D337 | Y123-Q335 HydrophobicContact CD1-CG 4.03Å; Y123-Q335 CarbonylContact O-C 3.51Å; Y123-Q335 VanDerWaalsContact O-CA 3.29Å; Y123-Q335 WeakPolarHBondContact O-CA 3.45Å; L325-Q335 CarbonylContact C-O 3.58Å; L325-Q335 WeakPolarHBondContact CA-O 3.21Å; I326-Q335 HydrophobicContact CB-CB 4.18Å; I326-Q335 HydrophobicContact CD1-CB 4.21Å; I326-Q335 HydrophobicContact CD1-CG 4.41Å; I326-Q335 HydrophobicContact CG1-CB 4.34Å; I326-Q335 PolarHBondContact N-O 3.49Å; I326-Q335 PolarHBondContact O-N 2.94Å; Q335-D337 PolarHBondContact NE2-OD2 2.99Å |
| 336 | E | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 127.5 | 170.2 | -176.8 | 178.2 | -169.1 | 0 | 0 | 111.2 | Y118 Y123 L124 T125 R323 M324 L325 I333 W338 | Y118-E336 PolarHBondContact OH-OE2 3.5Å; Y123-E336 PolarHBondContact O-N 3.12Å; L124-E336 VanDerWaalsContact CA-O 3.25Å; L124-E336 WeakPolarHBondContact CA-O 3.38Å; L124-E336 HydrophobicContact CD1-CB 4.4Å; L124-E336 WeakPolarHBondContact CD1-OE2 3.38Å; L124-E336 HydrophobicContact CG-CB 4.22Å; T125-E336 PolarHBondContact N-O 3.33Å; R323-E336 VanDerWaalsContact CD-OE1 3.28Å; R323-E336 WeakPolarHBondContact CD-OE1 3.33Å; R323-E336 IonicContact CZ-OE1 3.59Å; R323-E336 IonicContact NE-OE1 2.68Å; R323-E336 IonicContact NH1-OE1 3.44Å; R323-E336 PolarHBondContact NH1-OE1 2.89Å; M324-E336 CarbonylContact O-C 3.59Å; M324-E336 VanDerWaalsContact O-CA 3.27Å; M324-E336 WeakPolarHBondContact O-CA 3.42Å; L325-E336 HydrophobicContact CG-CG 4.37Å; I333-E336 HydrophobicContact CG2-CB 4.15Å; E336-W338 HydrophobicContact CG-CB 4.44Å |
| 337 | D | 92 | Very high | 91 | Very high | 48 Ų | 48 | 41 Ų | 41 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 110.9 | 166.1 | -61.9 | -52.4 | 0 | 0 | 0 | 108.5 | T125 R323 M324 Q335 | T125-D337 PolarHBondContact OG1-OD1 3.47Å; R323-D337 WeakPolarHBondContact CA-O 3.48Å; M324-D337 HydrophobicContact CB-CB 4.16Å; M324-D337 PolarHBondContact N-O 3.29Å; M324-D337 PolarHBondContact O-N 2.75Å; Q335-D337 PolarHBondContact NE2-OD2 2.99Å |
| 338 | W | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 121.6 | -176.2 | -179.8 | 11.6 | 0 | 0 | 0 | 110.4 | F105 T125 F126 Q127 L252 L255 L258 C322 R323 E336 V340 | F105-W338 HydrophobicContact CE1-CH2 4.08Å; F105-W338 AromaticContact CE2-CH2 3.71Å; F105-W338 HydrophobicContact CE2-CH2 3.71Å; F105-W338 AromaticContact CE2-CZ3 3.78Å; F105-W338 HydrophobicContact CE2-CZ3 3.78Å; F105-W338 AromaticContact CZ-CH2 3.34Å; F105-W338 HydrophobicContact CZ-CH2 3.34Å; F105-W338 HydrophobicContact CZ-CZ2 4.32Å; F105-W338 AromaticContact CZ-CZ3 3.91Å; F105-W338 HydrophobicContact CZ-CZ3 3.91Å; T125-W338 PolarHBondContact O-N 3.37Å; F126-W338 CarbonylContact C-O 3.59Å; F126-W338 WeakPolarHBondContact CA-O 3.2Å; F126-W338 HydrophobicContact CD2-CB 4.17Å; F126-W338 AromaticContact CD2-CD2 3.75Å; F126-W338 HydrophobicContact CD2-CD2 3.75Å; F126-W338 AromaticContact CD2-CE3 3.91Å; F126-W338 HydrophobicContact CD2-CE3 3.91Å; F126-W338 AromaticContact CD2-CG 3.91Å; F126-W338 HydrophobicContact CD2-CG 3.91Å; F126-W338 AromaticContact CE2-CD2 3.78Å; F126-W338 HydrophobicContact CE2-CD2 3.78Å; F126-W338 AromaticContact CE2-CE2 3.85Å; F126-W338 HydrophobicContact CE2-CE3 4.16Å; F126-W338 HydrophobicContact CE2-CG 4.11Å; F126-W338 HydrophobicContact CE2-CZ2 4.22Å; Q127-W338 PolarHBondContact N-O 3.18Å; L252-W338 HydrophobicContact CD2-CE3 3.88Å; L252-W338 HydrophobicContact CD2-CZ3 3.53Å; L255-W338 HydrophobicContact CB-CH2 4.38Å; L255-W338 HydrophobicContact CD1-CE3 3.78Å; L255-W338 HydrophobicContact CD1-CH2 3.46Å; L255-W338 VanDerWaalsContact CD1-CH2 3.46Å; L255-W338 HydrophobicContact CD1-CZ2 4.46Å; L255-W338 HydrophobicContact CD1-CZ3 3.08Å; L255-W338 HydrophobicContact CG-CZ3 4.43Å; L258-W338 HydrophobicContact CD1-CH2 4.46Å; L258-W338 HydrophobicContact CD1-CZ2 3.92Å; C322-W338 CarbonylContact O-C 3.59Å; C322-W338 WeakPolarHBondContact O-CA 3.35Å; R323-W338 HydrophobicContact CG-CB 4.31Å; R323-W338 HydrophobicContact CG-CG 3.98Å; R323-W338 VanDerWaalsContact NH2-CZ2 3.26Å; E336-W338 HydrophobicContact CG-CB 4.44Å; W338-V340 HydrophobicContact CZ2-CG2 4.16Å; W338-V340 VanDerWaalsContact NE1-CG2 3.33Å |
| 339 | C | 91.9 | Very high | 90.3 | Very high | 33 Ų | 33 | 46.6 Ų | 46.6 | 22% | 0.223 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 137.5 | 173.9 | -173.1 | 0 | 0 | 0 | 0 | 111.8 | Q127 C322 | Q127-C339 HydrophobicContact CB-CB 4.26Å; Q127-C339 WeakPolarHBondContact O-CA 3.42Å; C322-C339 PolarHBondContact N-O 3.15Å; C322-C339 PolarHBondContact O-N 3.07Å |
| 340 | V | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.4 | 172.6 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | F126 Q127 I128 A129 W153 Y156 R319 L320 W338 | F126-V340 HydrophobicContact CE2-CG2 3.71Å; F126-V340 HydrophobicContact CZ-CB 4.41Å; F126-V340 HydrophobicContact CZ-CG2 3.9Å; Q127-V340 PolarHBondContact O-N 3.22Å; I128-V340 WeakPolarHBondContact CA-O 3.25Å; I128-V340 HydrophobicContact CG2-CB 4.46Å; A129-V340 PolarHBondContact N-O 3.01Å; A129-V340 VanDerWaalsContact N-O 3.1Å; W153-V340 HydrophobicContact CH2-CG1 4Å; W153-V340 HydrophobicContact CZ3-CB 4.32Å; W153-V340 HydrophobicContact CZ3-CG1 3.88Å; Y156-V340 HydrophobicContact CE1-CG2 4.49Å; R319-V340 HydrophobicContact CB-CG1 3.95Å; R319-V340 HydrophobicContact CG-CG1 4.12Å; L320-V340 WeakPolarHBondContact O-CA 3.49Å; W338-V340 HydrophobicContact CZ2-CG2 4.16Å; W338-V340 VanDerWaalsContact NE1-CG2 3.33Å |
| 341 | T | 91.2 | Very high | 90.5 | Very high | 23 Ų | 23 | 43.8 Ų | 43.8 | 14% | 0.141 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 159 | 178 | 79.5 | 0 | 0 | 0 | 0 | 110.6 | A129 V132 R319 L320 | A129-T341 HydrophobicContact CB-CG2 3.8Å; V132-T341 HydrophobicContact CG1-CG2 4.47Å; R319-T341 WeakPolarHBondContact CA-O 3.37Å; L320-T341 PolarHBondContact N-O 3.34Å; L320-T341 PolarHBondContact O-N 2.89Å |
| 342 | P | 90 | Very high | 90.6 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 149.9 | 166.8 | 28.1 | -35.2 | 0 | 0 | 0 | 110.6 | A129 V132 C133 W153 Q306 | A129-P342 WeakPolarHBondContact O-CD 3.46Å; V132-P342 HydrophobicContact CG1-CG 3.91Å; C133-P342 HydrophobicContact CB-CG 4.04Å; W153-P342 HydrophobicContact CZ2-CB 4.22Å; W153-P342 HydrophobicContact CZ2-CG 4.35Å; Q306-P342 HydrophobicContact CG-CB 4.18Å; Q306-P342 VanDerWaalsContact OE1-CB 3.29Å |
| 343 | L | 89.6 | Confident | 90.5 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 132.1 | 164.5 | -174.6 | 70.7 | 0 | 0 | 0 | 108.4 | I286 V318 S345 L348 | I286-L343 HydrophobicContact CD1-CD1 4.01Å; I286-L343 HydrophobicContact CD1-CD2 4.17Å; I286-L343 HydrophobicContact CG1-CD1 4.2Å; I286-L343 HydrophobicContact CG2-CD2 4.5Å; V318-L343 HydrophobicContact CB-CB 4.47Å; V318-L343 HydrophobicContact CG1-CB 3.97Å; V318-L343 HydrophobicContact CG1-CD2 3.61Å; V318-L343 HydrophobicContact CG1-CG 4.42Å; V318-L343 PolarHBondContact O-N 3.11Å; L343-S345 PolarHBondContact O-N 3.05Å; L343-L348 HydrophobicContact CD2-CB 4.31Å; L343-L348 HydrophobicContact CD2-CD1 4.23Å |
| 344 | P | 85.2 | Confident | 90.3 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 29% | 0.286 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 136.1 | 174.5 | -15.8 | 26 | 0 | 0 | 0 | 110.5 | S346 Y347 L348 | P344-S346 PolarHBondContact O-N 2.76Å; P344-Y347 HydrophobicContact CB-CD2 4.04Å; P344-Y347 HydrophobicContact CG-CD2 4.02Å; P344-Y347 HydrophobicContact CG-CE2 4.48Å; P344-Y347 PolarHBondContact O-N 2.75Å; P344-L348 PolarHBondContact O-N 2.95Å |
| 345 | S | 84.4 | Confident | 90.2 | Very high | 57 Ų | 57 | 47.3 Ų | 47.3 | 40% | 0.399 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.7 | -26.3 | -175.6 | 52.4 | 0 | 0 | 0 | 0 | 113.9 | D305 L343 Y347 L348 | D305-S345 WeakPolarHBondContact O-CB 3.46Å; L343-S345 PolarHBondContact O-N 3.05Å; S345-Y347 VanDerWaalsContact C-N 3.26Å; S345-Y347 PolarHBondContact O-N 3.4Å; S345-L348 PolarHBondContact O-N 2.94Å |
| 346 | S | 83 | Confident | 90.2 | Very high | 85 Ų | 85 | 46.4 Ų | 46.4 | 59% | 0.594 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -59.9 | -31.8 | 172.6 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | P344 | P344-S346 PolarHBondContact O-N 2.76Å |
| 347 | Y | 86.2 | Confident | 90.2 | Very high | 121 Ų | 121 | 52 Ų | 52 | 48% | 0.475 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -92.5 | -21.7 | 179.6 | -70.9 | -80.5 | 0 | 0 | 0 | 112.9 | P344 S345 Q349 E350 C351 | P344-Y347 HydrophobicContact CB-CD2 4.04Å; P344-Y347 HydrophobicContact CG-CD2 4.02Å; P344-Y347 HydrophobicContact CG-CE2 4.48Å; P344-Y347 PolarHBondContact O-N 2.75Å; S345-Y347 VanDerWaalsContact C-N 3.26Å; S345-Y347 PolarHBondContact O-N 3.4Å; Y347-Q349 VanDerWaalsContact C-N 3.32Å; Y347-Q349 PolarHBondContact O-N 2.68Å; Y347-E350 WeakPolarHBondContact O-CB 3.25Å; Y347-E350 PolarHBondContact O-N 2.85Å; Y347-C351 PolarHBondContact O-N 2.71Å; Y347-C351 PolarHBondContact O-SG 2.9Å |
| 348 | L | 87.7 | Confident | 90.3 | Very high | 14 Ų | 14 | 50.6 Ų | 50.6 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.2 | -43.2 | -176.1 | -178.1 | 63.1 | 0 | 0 | 0 | 112.2 | D305 L308 V318 L343 P344 S345 C351 S352 I355 | D305-L348 WeakPolarHBondContact O-CD2 3.44Å; L308-L348 HydrophobicContact CB-CD1 4.49Å; V318-L348 HydrophobicContact CB-CD1 3.69Å; V318-L348 HydrophobicContact CG1-CD1 4.08Å; V318-L348 HydrophobicContact CG2-CD1 3.42Å; V318-L348 VanDerWaalsContact CG2-CD1 3.42Å; L343-L348 HydrophobicContact CD2-CB 4.31Å; L343-L348 HydrophobicContact CD2-CD1 4.23Å; P344-L348 PolarHBondContact O-N 2.95Å; S345-L348 PolarHBondContact O-N 2.94Å; L348-C351 PolarHBondContact O-N 3.48Å; L348-S352 PolarHBondContact O-N 2.93Å; L348-S352 VanDerWaalsContact O-N 3.11Å; L348-I355 HydrophobicContact CD1-CD1 4.41Å |
| 349 | Q | 84.4 | Confident | 90.4 | Very high | 165 Ų | 165 | 50.6 Ų | 50.6 | 77% | 0.771 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.4 | -42.6 | 178.5 | -67.3 | -177.3 | -7.5 | 0 | 0 | 111.6 | Y347 C351 S352 | Y347-Q349 VanDerWaalsContact C-N 3.32Å; Y347-Q349 PolarHBondContact O-N 2.68Å; Q349-C351 VanDerWaalsContact C-N 3.34Å; Q349-C351 PolarHBondContact O-N 3.47Å; Q349-S352 WeakPolarHBondContact O-CB 3.36Å; Q349-S352 PolarHBondContact O-N 2.97Å; Q349-S352 PolarHBondContact O-OG 3.41Å |
| 350 | E | 88 | Confident | 90.5 | Very high | 116 Ų | 116 | 50.5 Ų | 50.5 | 54% | 0.542 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 178.7 | -166 | -166.6 | 140.1 | 0 | 0 | 111.9 | Y266 Y347 | Y266-E350 PolarHBondContact OH-OE1 3.22Å; Y347-E350 WeakPolarHBondContact O-CB 3.25Å; Y347-E350 PolarHBondContact O-N 2.85Å |
| 351 | C | 91 | Very high | 90.5 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -87.4 | -8.1 | -175.4 | -54.5 | 0 | 0 | 0 | 0 | 113.7 | Y266 I286 Y347 L348 Q349 L353 I354 I355 | Y266-C351 WeakPolarHBondContact CE1-SG 3.39Å; Y266-C351 HydrophobicContact CE2-CB 4.45Å; I286-C351 HydrophobicContact CD1-CB 4.08Å; I286-C351 VanDerWaalsContact CD1-SG 3.53Å; Y347-C351 PolarHBondContact O-N 2.71Å; Y347-C351 PolarHBondContact O-SG 2.9Å; L348-C351 PolarHBondContact O-N 3.48Å; Q349-C351 VanDerWaalsContact C-N 3.34Å; Q349-C351 PolarHBondContact O-N 3.47Å; C351-L353 VanDerWaalsContact C-N 3.34Å; C351-L353 PolarHBondContact O-N 3.05Å; C351-I354 PolarHBondContact O-N 2.84Å; C351-I354 VanDerWaalsContact O-N 3.13Å; C351-I355 HydrophobicContact CB-CD1 3.64Å; C351-I355 HydrophobicContact CB-CG1 4.19Å; C351-I355 VanDerWaalsContact O-CG1 3.31Å; C351-I355 WeakPolarHBondContact O-CG1 3.28Å; C351-I355 PolarHBondContact O-N 3.42Å |
| 352 | S | 92.5 | Very high | 90.6 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 22% | 0.217 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -53.9 | -43.2 | -167.7 | 59.6 | 0 | 0 | 0 | 0 | 114.3 | L348 Q349 T356 | L348-S352 PolarHBondContact O-N 2.93Å; L348-S352 VanDerWaalsContact O-N 3.11Å; Q349-S352 WeakPolarHBondContact O-CB 3.36Å; Q349-S352 PolarHBondContact O-N 2.97Å; Q349-S352 PolarHBondContact O-OG 3.41Å; S352-T356 VanDerWaalsContact O-CB 3.28Å; S352-T356 WeakPolarHBondContact O-CB 3.41Å; S352-T356 PolarHBondContact O-N 3.38Å; S352-T356 PolarHBondContact O-OG1 3.31Å |
| 353 | L | 93.2 | Very high | 90.6 | Very high | 137 Ų | 137 | 57 Ų | 57 | 72% | 0.717 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.8 | -46.1 | 179.2 | -69.4 | 175.7 | 0 | 0 | 0 | 111.9 | C351 I355 T356 E357 | C351-L353 VanDerWaalsContact C-N 3.34Å; C351-L353 PolarHBondContact O-N 3.05Å; L353-I355 VanDerWaalsContact C-N 3.35Å; L353-T356 WeakPolarHBondContact O-CB 3.37Å; L353-T356 PolarHBondContact O-N 2.93Å; L353-E357 WeakPolarHBondContact O-CB 3.34Å; L353-E357 PolarHBondContact O-N 2.7Å |
| 354 | I | 93.6 | Very high | 90.4 | Very high | 41 Ų | 41 | 59.7 Ų | 59.7 | 21% | 0.21 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.8 | -36.2 | -177.5 | -71.4 | 162.1 | 0 | 0 | 0 | 110.7 | V261 Y266 C351 A358 | V261-I354 HydrophobicContact CG1-CG2 3.46Å; V261-I354 VanDerWaalsContact CG1-CG2 3.46Å; Y266-I354 HydrophobicContact CD2-CD1 4.1Å; Y266-I354 HydrophobicContact CD2-CG2 4.36Å; Y266-I354 HydrophobicContact CE2-CD1 3.57Å; C351-I354 PolarHBondContact O-N 2.84Å; C351-I354 VanDerWaalsContact O-N 3.13Å; I354-A358 WeakPolarHBondContact O-CB 3.24Å; I354-A358 PolarHBondContact O-N 3.3Å |
| 355 | I | 94.2 | Very high | 90 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 173.1 | -63 | 161.7 | 0 | 0 | 0 | 110.3 | V261 I286 A288 L308 I310 V318 L348 C351 L353 E357 A358 V359 | V261-I355 HydrophobicContact CG2-CG1 4.06Å; I286-I355 HydrophobicContact CG2-CD1 4.08Å; I286-I355 HydrophobicContact CG2-CG1 4.2Å; A288-I355 HydrophobicContact CB-CG2 3.99Å; L308-I355 HydrophobicContact CD2-CB 3.95Å; L308-I355 HydrophobicContact CD2-CD1 4.43Å; L308-I355 HydrophobicContact CD2-CG2 3.8Å; I310-I355 HydrophobicContact CD1-CG2 4.1Å; V318-I355 HydrophobicContact CG1-CD1 3.76Å; V318-I355 HydrophobicContact CG2-CD1 4.06Å; L348-I355 HydrophobicContact CD1-CD1 4.41Å; C351-I355 HydrophobicContact CB-CD1 3.64Å; C351-I355 HydrophobicContact CB-CG1 4.19Å; C351-I355 VanDerWaalsContact O-CG1 3.31Å; C351-I355 WeakPolarHBondContact O-CG1 3.28Å; C351-I355 PolarHBondContact O-N 3.42Å; L353-I355 VanDerWaalsContact C-N 3.35Å; I355-E357 VanDerWaalsContact C-N 3.33Å; I355-E357 PolarHBondContact O-N 3.19Å; I355-A358 PolarHBondContact O-N 2.64Å; I355-V359 HydrophobicContact CG2-CG2 4.47Å; I355-V359 WeakPolarHBondContact O-CG2 3.25Å; I355-V359 PolarHBondContact O-N 3.17Å |
| 356 | T | 95.6 | Very high | 89 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 28% | 0.276 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 177.9 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | I310 S352 L353 S360 | I310-T356 HydrophobicContact CG2-CG2 3.95Å; S352-T356 VanDerWaalsContact O-CB 3.28Å; S352-T356 WeakPolarHBondContact O-CB 3.41Å; S352-T356 PolarHBondContact O-N 3.38Å; S352-T356 PolarHBondContact O-OG1 3.31Å; L353-T356 WeakPolarHBondContact O-CB 3.37Å; L353-T356 PolarHBondContact O-N 2.93Å; T356-S360 VanDerWaalsContact O-CB 3.27Å; T356-S360 WeakPolarHBondContact O-CB 3.36Å; T356-S360 PolarHBondContact O-N 3.35Å; T356-S360 PolarHBondContact O-OG 3.05Å |
| 357 | E | 94.5 | Very high | 87 | Confident | 117 Ų | 117 | 62.9 Ų | 62.9 | 55% | 0.547 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 175.4 | -176.4 | -179.3 | 179.4 | 0 | 0 | 111.5 | L353 I355 V359 S360 N361 | L353-E357 WeakPolarHBondContact O-CB 3.34Å; L353-E357 PolarHBondContact O-N 2.7Å; I355-E357 VanDerWaalsContact C-N 3.33Å; I355-E357 PolarHBondContact O-N 3.19Å; E357-V359 PolarHBondContact O-N 3.09Å; E357-S360 PolarHBondContact O-N 3.03Å; E357-N361 WeakPolarHBondContact O-CB 3.19Å; E357-N361 VanDerWaalsContact O-CG 3.26Å; E357-N361 PolarHBondContact O-N 3.27Å; E357-N361 PolarHBondContact O-ND2 3.45Å |
| 358 | A | 94.3 | Very high | 84.6 | Confident | 19 Ų | 19 | 60.7 Ų | 60.7 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V261 I354 I355 F362 | V261-A358 HydrophobicContact CG2-CB 4.06Å; I354-A358 WeakPolarHBondContact O-CB 3.24Å; I354-A358 PolarHBondContact O-N 3.3Å; I355-A358 PolarHBondContact O-N 2.64Å; A358-F362 VanDerWaalsContact O-CB 3.31Å; A358-F362 WeakPolarHBondContact O-CB 3.25Å; A358-F362 PolarHBondContact O-N 2.97Å |
| 359 | V | 95.5 | Very high | 82 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.1 | -43 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | V259 A288 I310 Y313 Y316 I355 E357 N361 F362 M363 | V259-V359 HydrophobicContact CB-CG2 4.38Å; V259-V359 HydrophobicContact CG1-CG2 4.38Å; A288-V359 HydrophobicContact CB-CG2 3.61Å; I310-V359 HydrophobicContact CD1-CB 3.92Å; I310-V359 HydrophobicContact CD1-CG1 4.15Å; I310-V359 HydrophobicContact CD1-CG2 3.69Å; I310-V359 HydrophobicContact CG2-CB 4.45Å; I310-V359 HydrophobicContact CG2-CG1 4.25Å; Y313-V359 HydrophobicContact CD2-CG1 3.96Å; Y313-V359 HydrophobicContact CG-CG1 4.42Å; Y316-V359 HydrophobicContact CD1-CG2 4.37Å; Y316-V359 HydrophobicContact CE1-CG1 4.11Å; Y316-V359 HydrophobicContact CE1-CG2 4.36Å; Y316-V359 HydrophobicContact CE2-CG1 4.05Å; I355-V359 HydrophobicContact CG2-CG2 4.47Å; I355-V359 WeakPolarHBondContact O-CG2 3.25Å; I355-V359 PolarHBondContact O-N 3.17Å; E357-V359 PolarHBondContact O-N 3.09Å; V359-N361 PolarHBondContact O-N 3.44Å; V359-F362 PolarHBondContact O-N 2.91Å; V359-M363 HydrophobicContact CG1-CG 4.3Å; V359-M363 WeakPolarHBondContact O-CB 3.4Å; V359-M363 WeakPolarHBondContact O-CG 3.5Å; V359-M363 PolarHBondContact O-N 2.68Å |
| 360 | S | 94.2 | Very high | 79.4 | Confident | 31 Ų | 31 | 62.5 Ų | 62.5 | 22% | 0.217 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 178.4 | -60 | 0 | 0 | 0 | 0 | 111.8 | T356 E357 F362 M363 T364 | T356-S360 VanDerWaalsContact O-CB 3.27Å; T356-S360 WeakPolarHBondContact O-CB 3.36Å; T356-S360 PolarHBondContact O-N 3.35Å; T356-S360 PolarHBondContact O-OG 3.05Å; E357-S360 PolarHBondContact O-N 3.03Å; S360-F362 VanDerWaalsContact C-N 3.34Å; S360-F362 PolarHBondContact O-N 2.59Å; S360-M363 PolarHBondContact O-N 2.93Å; S360-T364 WeakPolarHBondContact O-CG2 3.44Å; S360-T364 PolarHBondContact O-N 3.45Å; S360-T364 PolarHBondContact O-OG1 3.05Å; S360-T364 VanDerWaalsContact O-OG1 3.08Å |
| 361 | N | 92.7 | Very high | 77 | Confident | 88 Ų | 88 | 60.5 Ų | 60.5 | 47% | 0.471 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 177.5 | -70.5 | -17.6 | 0 | 0 | 0 | 112.2 | E357 V359 T364 S365 | E357-N361 WeakPolarHBondContact O-CB 3.19Å; E357-N361 VanDerWaalsContact O-CG 3.26Å; E357-N361 PolarHBondContact O-N 3.27Å; E357-N361 PolarHBondContact O-ND2 3.45Å; V359-N361 PolarHBondContact O-N 3.44Å; N361-T364 WeakPolarHBondContact CA-OG1 3.23Å; N361-T364 PolarHBondContact O-OG1 2.64Å; N361-T364 VanDerWaalsContact O-OG1 3.12Å; N361-S365 WeakPolarHBondContact O-CB 3.43Å; N361-S365 PolarHBondContact O-N 3.38Å; N361-S365 PolarHBondContact O-OG 2.85Å |
| 362 | F | 92.5 | Very high | 74.2 | Confident | 26 Ų | 26 | 63.5 Ų | 63.5 | 11% | 0.114 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 174.6 | 180 | -99.1 | 0 | 0 | 0 | 111.9 | D106 V107 V259 A358 V359 S360 S365 R366 | D106-F362 HydrophobicContact CB-CD2 4.47Å; D106-F362 HydrophobicContact CB-CE2 3.76Å; D106-F362 HydrophobicContact CB-CZ 4.43Å; D106-F362 VanDerWaalsContact O-CZ 3.31Å; D106-F362 WeakPolarHBondContact O-CZ 3.24Å; V107-F362 HydrophobicContact CG2-CE2 4.25Å; V259-F362 HydrophobicContact CG1-CB 3.74Å; V259-F362 HydrophobicContact CG1-CD1 4.46Å; V259-F362 HydrophobicContact CG1-CD2 4.35Å; V259-F362 HydrophobicContact CG1-CG 3.94Å; V259-F362 HydrophobicContact CG2-CB 4.33Å; V259-F362 HydrophobicContact CG2-CD1 3.53Å; V259-F362 HydrophobicContact CG2-CD2 4.42Å; V259-F362 HydrophobicContact CG2-CE1 3.81Å; V259-F362 HydrophobicContact CG2-CG 3.84Å; V259-F362 HydrophobicContact CG2-CZ 4.36Å; A358-F362 VanDerWaalsContact O-CB 3.31Å; A358-F362 WeakPolarHBondContact O-CB 3.25Å; A358-F362 PolarHBondContact O-N 2.97Å; V359-F362 PolarHBondContact O-N 2.91Å; S360-F362 VanDerWaalsContact C-N 3.34Å; S360-F362 PolarHBondContact O-N 2.59Å; F362-S365 WeakPolarHBondContact CA-OG 3.35Å; F362-S365 PolarHBondContact O-OG 3.3Å; F362-R366 VanDerWaalsContact CE1-NE 3.35Å; F362-R366 PolarHBondContact O-N 2.98Å |
| 363 | M | 90.3 | Very high | 71.3 | Confident | 48 Ų | 48 | 67.9 Ų | 67.9 | 24% | 0.236 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -71.6 | -38.8 | 178.6 | -67.8 | -66.3 | 172.5 | 0 | 0 | 112.3 | Y313 Y316 V359 S360 R366 T367 | Y313-M363 HydrophobicContact CD1-CB 3.99Å; Y313-M363 HydrophobicContact CD1-CG 3.67Å; Y313-M363 HydrophobicContact CD1-SD 4.36Å; Y313-M363 HydrophobicContact CD2-CG 4.28Å; Y313-M363 HydrophobicContact CE1-CB 3.43Å; Y313-M363 VanDerWaalsContact CE1-CB 3.43Å; Y313-M363 HydrophobicContact CE1-CG 3.67Å; Y313-M363 HydrophobicContact CE2-CB 4.25Å; Y313-M363 HydrophobicContact CE2-CG 4.28Å; Y313-M363 HydrophobicContact CG-CG 3.98Å; Y316-M363 WeakPolarHBondContact OH-CE 3.38Å; V359-M363 HydrophobicContact CG1-CG 4.3Å; V359-M363 WeakPolarHBondContact O-CB 3.4Å; V359-M363 WeakPolarHBondContact O-CG 3.5Å; V359-M363 PolarHBondContact O-N 2.68Å; S360-M363 PolarHBondContact O-N 2.93Å; M363-R366 PolarHBondContact O-N 3.07Å; M363-T367 PolarHBondContact O-N 3.03Å; M363-T367 PolarHBondContact O-OG1 2.97Å; M363-T367 VanDerWaalsContact O-OG1 3.06Å |
| 364 | T | 86.5 | Confident | 68.4 | Low | 66 Ų | 66 | 67.5 Ų | 67.5 | 41% | 0.405 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -72.7 | -26.6 | 177.8 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | S360 N361 T367 | S360-T364 WeakPolarHBondContact O-CG2 3.44Å; S360-T364 PolarHBondContact O-N 3.45Å; S360-T364 PolarHBondContact O-OG1 3.05Å; S360-T364 VanDerWaalsContact O-OG1 3.08Å; N361-T364 WeakPolarHBondContact CA-OG1 3.23Å; N361-T364 PolarHBondContact O-OG1 2.64Å; N361-T364 VanDerWaalsContact O-OG1 3.12Å; T364-T367 VanDerWaalsContact O-O 3.08Å; T364-T367 PolarHBondContact O-OG1 3.15Å |
| 365 | S | 75.7 | Confident | 65.5 | Low | 86 Ų | 86 | 69.3 Ų | 69.3 | 60% | 0.601 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -80.3 | -22.6 | 173.6 | 54 | 0 | 0 | 0 | 0 | 113.4 | N361 F362 T367 | N361-S365 WeakPolarHBondContact O-CB 3.43Å; N361-S365 PolarHBondContact O-N 3.38Å; N361-S365 PolarHBondContact O-OG 2.85Å; F362-S365 WeakPolarHBondContact CA-OG 3.35Å; F362-S365 PolarHBondContact O-OG 3.3Å; S365-T367 CarbonylContact C-O 3.42Å |
| 366 | R | 63.3 | Low | 62.7 | Low | 82 Ų | 82 | 78 Ų | 78 | 31% | 0.309 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -76.2 | -32 | 170.5 | -85.7 | -171.8 | 169.4 | -153.9 | 5.7 | 113 | F362 M363 | F362-R366 VanDerWaalsContact CE1-NE 3.35Å; F362-R366 PolarHBondContact O-N 2.98Å; M363-R366 PolarHBondContact O-N 3.07Å |
| 367 | T | 40.8 | Very low | 60 | Low | 86 Ų | 86 | 82.7 Ų | 82.7 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -62.4 | 131.9 | 159.6 | -6.6 | 0 | 0 | 0 | 0 | 106.7 | M363 T364 S365 S369 | M363-T367 PolarHBondContact O-N 3.03Å; M363-T367 PolarHBondContact O-OG1 2.97Å; M363-T367 VanDerWaalsContact O-OG1 3.06Å; T364-T367 VanDerWaalsContact O-O 3.08Å; T364-T367 PolarHBondContact O-OG1 3.15Å; S365-T367 CarbonylContact C-O 3.42Å; T367-S369 PolarHBondContact O-N 2.83Å |
| 368 | P | 35.9 | Very low | 57.6 | Low | 74 Ų | 74 | 81.3 Ų | 81.3 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | trans | -66.9 | 72.5 | 174.6 | 23.3 | -28.3 | 0 | 0 | 0 | 110.1 | T370 L371 | P368-T370 PolarHBondContact O-N 3.25Å; P368-L371 HydrophobicContact CB-CD1 4.24Å; P368-L371 WeakPolarHBondContact O-CB 3.34Å; P368-L371 PolarHBondContact O-N 3.44Å; P368-L371 VanDerWaalsContact O-N 3.09Å | ||
| 369 | S | 32.6 | Very low | 55.2 | Low | 79 Ų | 79 | 82.4 Ų | 82.4 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 43.7 | 171.6 | 179 | 0 | 0 | 0 | 0 | 109.3 | T367 | T367-S369 PolarHBondContact O-N 2.83Š|
| 370 | T | 30.1 | Very low | 53.2 | Low | 139 Ų | 139 | 89.6 Ų | 89.6 | 85% | 0.853 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 17.1 | 144.7 | -41.3 | 0 | 0 | 0 | 0 | 109.8 | P368 | P368-T370 PolarHBondContact O-N 3.25Š|
| 371 | L | 37.3 | Very low | 51.5 | Low | 74 Ų | 74 | 89.3 Ų | 89.3 | 39% | 0.387 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -129.5 | -9.7 | 175.1 | -69 | 165.4 | 0 | 0 | 0 | 113.7 | P368 V385 | P368-L371 HydrophobicContact CB-CD1 4.24Å; P368-L371 WeakPolarHBondContact O-CB 3.34Å; P368-L371 PolarHBondContact O-N 3.44Å; P368-L371 VanDerWaalsContact O-N 3.09Å; L371-V385 HydrophobicContact CD1-CG1 3.38Å; L371-V385 HydrophobicContact CD1-CG2 4.34Å; L371-V385 HydrophobicContact CD2-CB 4.33Å; L371-V385 HydrophobicContact CD2-CG1 3.99Å; L371-V385 HydrophobicContact CD2-CG2 3.41Å; L371-V385 VanDerWaalsContact CD2-CG2 3.41Å; L371-V385 HydrophobicContact CG-CG1 4.25Å; L371-V385 HydrophobicContact CG-CG2 4.49Å |
| 372 | A | 33.6 | Very low | 50.7 | Low | 64 Ų | 64 | 90.2 Ų | 90.2 | 53% | 0.529 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -87 | -4.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T374 | A372-T374 VanDerWaalsContact C-N 3.26Å; A372-T374 PolarHBondContact O-N 3.37Å |
| 373 | S | 31.2 | Very low | 50 | Low | 123 Ų | 123 | 95 Ų | 95 | 86% | 0.86 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -84.6 | 5.5 | 173.1 | -174.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 374 | T | 31.3 | Very low | 49.6 | Very low | 128 Ų | 128 | 95.9 Ų | 95.9 | 79% | 0.785 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -134 | 21.8 | 177.1 | -29.1 | 0 | 0 | 0 | 0 | 112.5 | A372 | A372-T374 VanDerWaalsContact C-N 3.26Å; A372-T374 PolarHBondContact O-N 3.37Å |
| 375 | L | 34.4 | Very low | 49.5 | Very low | 80 Ų | 80 | 93.8 Ų | 93.8 | 42% | 0.419 | 58% | 0.577 | S | S | . | * | trans | -114.8 | 95.6 | 172.9 | -72.3 | 175.5 | 0 | 0 | 0 | 109.5 | G379 | L375-G379 WeakPolarHBondContact CD2-O 3.34Š| ||
| 376 | K | 34.5 | Very low | 49.9 | Very low | 183 Ų | 183 | 90.4 Ų | 90.4 | 80% | 0.796 | 55% | 0.554 | S | S | * | * | trans | -49.3 | 138.6 | 155.4 | -75.6 | 178.4 | 174.6 | 176.5 | 0 | 107.6 | G378 G379 | K376-G378 PolarHBondContact O-N 3.07Å; K376-G379 PolarHBondContact O-N 2.85Å; K376-G379 VanDerWaalsContact O-N 3.11Å | ||
| 377 | P | 38.2 | Very low | 51.1 | Low | 143 Ų | 143 | 90.2 Ų | 90.2 | 93% | 0.929 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | 106.6 | 175.7 | 25 | -31.9 | 0 | 0 | 0 | 108.2 | ||
| 378 | G | 43.7 | Very low | 53.5 | Low | 88 Ų | 88 | 93.3 Ų | 93.3 | 91% | 0.907 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.7 | 5.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | K376 | K376-G378 PolarHBondContact O-N 3.07Š|
| 379 | G | 44 | Very low | 56.1 | Low | 42 Ų | 42 | 91 Ų | 91 | 43% | 0.433 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -97.5 | 137.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L375 K376 | L375-G379 WeakPolarHBondContact CD2-O 3.34Å; K376-G379 PolarHBondContact O-N 2.85Å; K376-G379 VanDerWaalsContact O-N 3.11Å |
| 380 | M | 55 | Low | 59 | Low | 152 Ų | 152 | 88 Ų | 88 | 75% | 0.749 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 149.5 | 165.1 | -88.8 | -172.7 | 132.2 | 0 | 0 | 110.6 | ||
| 381 | P | 58.7 | Low | 62 | Low | 24 Ų | 24 | 86.1 Ų | 86.1 | 16% | 0.156 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 147.5 | 171.7 | -0.8 | 13.3 | 0 | 0 | 0 | 110.1 | C386 F413 | P381-C386 VanDerWaalsContact CB-SG 3.51Å; P381-C386 VanDerWaalsContact CG-SG 3.52Å; P381-C386 PolarHBondContact O-SG 2.6Å; P381-C386 VanDerWaalsContact O-SG 3.37Å; P381-F413 HydrophobicContact CG-CB 4.23Å; P381-F413 HydrophobicContact CG-CD1 4.16Å; P381-F413 HydrophobicContact CG-CD2 3.67Å; P381-F413 HydrophobicContact CG-CE1 4.46Å; P381-F413 HydrophobicContact CG-CE2 4.01Å; P381-F413 HydrophobicContact CG-CG 3.75Å; P381-F413 HydrophobicContact CG-CZ 4.39Å |
| 382 | D | 74.6 | Confident | 64.6 | Low | 108 Ų | 108 | 87.7 Ų | 87.7 | 58% | 0.578 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 139.3 | 175.8 | -176.3 | 38.2 | 0 | 0 | 0 | 111.1 | S384 V385 C386 | D382-S384 PolarHBondContact O-N 3.2Å; D382-S384 PolarHBondContact OD2-OG 3.44Å; D382-V385 HydrophobicContact CB-CG2 4.34Å; D382-V385 WeakPolarHBondContact O-CB 3.33Å; D382-V385 PolarHBondContact O-N 2.84Å; D382-C386 PolarHBondContact O-N 3.13Å; D382-C386 VanDerWaalsContact O-N 3.07Å |
| 383 | D | 78.9 | Confident | 67.3 | Low | 127 Ų | 127 | 84.7 Ų | 84.7 | 68% | 0.679 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56.4 | -31.4 | -172.1 | -78.5 | -17.6 | 0 | 0 | 0 | 112.3 | V385 S387 | D383-V385 VanDerWaalsContact C-N 3.34Å; D383-V385 PolarHBondContact O-N 3.06Å; D383-S387 WeakPolarHBondContact O-CB 3.25Å; D383-S387 PolarHBondContact O-N 2.9Å; D383-S387 PolarHBondContact O-OG 3.19Å |
| 384 | S | 81.6 | Confident | 70.2 | Confident | 65 Ų | 65 | 79.9 Ų | 79.9 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.6 | -35.5 | 177.9 | 74.3 | 0 | 0 | 0 | 0 | 113.1 | D382 K388 | D382-S384 PolarHBondContact O-N 3.2Å; D382-S384 PolarHBondContact OD2-OG 3.44Å; S384-K388 PolarHBondContact O-N 3.02Å |
| 385 | V | 83.2 | Confident | 73 | Confident | 23 Ų | 23 | 80.1 Ų | 80.1 | 14% | 0.139 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -81.9 | -44.7 | -178.2 | 175.3 | 0 | 0 | 0 | 0 | 109.8 | L371 D382 D383 S387 K388 L389 | L371-V385 HydrophobicContact CD1-CG1 3.38Å; L371-V385 HydrophobicContact CD1-CG2 4.34Å; L371-V385 HydrophobicContact CD2-CB 4.33Å; L371-V385 HydrophobicContact CD2-CG1 3.99Å; L371-V385 HydrophobicContact CD2-CG2 3.41Å; L371-V385 VanDerWaalsContact CD2-CG2 3.41Å; L371-V385 HydrophobicContact CG-CG1 4.25Å; L371-V385 HydrophobicContact CG-CG2 4.49Å; D382-V385 HydrophobicContact CB-CG2 4.34Å; D382-V385 WeakPolarHBondContact O-CB 3.33Å; D382-V385 PolarHBondContact O-N 2.84Å; D383-V385 VanDerWaalsContact C-N 3.34Å; D383-V385 PolarHBondContact O-N 3.06Å; V385-S387 PolarHBondContact O-N 3.33Å; V385-K388 PolarHBondContact O-N 3.43Å; V385-L389 HydrophobicContact CG1-CD1 4.24Å; V385-L389 PolarHBondContact O-N 3.18Å |
| 386 | C | 85.4 | Confident | 75.6 | Confident | 15 Ų | 15 | 79.4 Ų | 79.4 | 10% | 0.101 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -51.6 | -48.1 | 171.9 | -74.1 | 0 | 0 | 0 | 0 | 110.7 | P381 D382 K388 L389 V390 F413 | P381-C386 VanDerWaalsContact CB-SG 3.51Å; P381-C386 VanDerWaalsContact CG-SG 3.52Å; P381-C386 PolarHBondContact O-SG 2.6Å; P381-C386 VanDerWaalsContact O-SG 3.37Å; D382-C386 PolarHBondContact O-N 3.13Å; D382-C386 VanDerWaalsContact O-N 3.07Å; C386-K388 VanDerWaalsContact C-N 3.35Å; C386-K388 PolarHBondContact O-N 3.05Å; C386-L389 PolarHBondContact O-N 2.91Å; C386-V390 WeakPolarHBondContact O-CB 3.36Å; C386-V390 WeakPolarHBondContact O-CG2 3.28Å; C386-V390 PolarHBondContact O-N 3.11Å; C386-F413 HydrophobicContact CB-CE1 4.14Å; C386-F413 VanDerWaalsContact SG-CE1 3.59Å |
| 387 | S | 88.7 | Confident | 78.3 | Confident | 78 Ų | 78 | 71.5 Ų | 71.5 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | -179.2 | -62 | 0 | 0 | 0 | 0 | 112.9 | D383 V385 E391 | D383-S387 WeakPolarHBondContact O-CB 3.25Å; D383-S387 PolarHBondContact O-N 2.9Å; D383-S387 PolarHBondContact O-OG 3.19Å; V385-S387 PolarHBondContact O-N 3.33Å; S387-E391 WeakPolarHBondContact O-CB 3.39Å; S387-E391 PolarHBondContact O-N 2.91Å |
| 388 | K | 90.1 | Very high | 80.9 | Confident | 150 Ų | 150 | 67 Ų | 67 | 65% | 0.652 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -66.9 | -44 | 177.6 | -73.6 | 179.7 | -179.3 | 178.4 | 0 | 112.5 | S384 V385 C386 V390 E391 E392 | S384-K388 PolarHBondContact O-N 3.02Å; V385-K388 PolarHBondContact O-N 3.43Å; C386-K388 VanDerWaalsContact C-N 3.35Å; C386-K388 PolarHBondContact O-N 3.05Å; K388-V390 VanDerWaalsContact C-N 3.34Å; K388-E391 PolarHBondContact O-N 2.88Å; K388-E392 WeakPolarHBondContact O-CB 3.47Å; K388-E392 PolarHBondContact O-N 3.31Å |
| 389 | L | 91.7 | Very high | 83.1 | Confident | 27 Ų | 27 | 63 Ų | 63 | 14% | 0.141 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 178.1 | -69.8 | 173.7 | 0 | 0 | 0 | 111.4 | V385 C386 E391 E392 L393 L408 F413 L415 | V385-L389 HydrophobicContact CG1-CD1 4.24Å; V385-L389 PolarHBondContact O-N 3.18Å; C386-L389 PolarHBondContact O-N 2.91Å; L389-E391 VanDerWaalsContact C-N 3.33Å; L389-E391 PolarHBondContact O-N 2.74Å; L389-E392 PolarHBondContact O-N 3.29Å; L389-L393 WeakPolarHBondContact O-CB 3.12Å; L389-L393 PolarHBondContact O-N 3.37Å; L389-L408 VanDerWaalsContact C-CD1 3.45Å; L389-L408 HydrophobicContact CB-CD1 3.84Å; L389-L408 HydrophobicContact CB-CD2 4.42Å; L389-L408 WeakPolarHBondContact O-CD1 3.42Å; L389-F413 HydrophobicContact CD1-CB 4.17Å; L389-F413 HydrophobicContact CD1-CD1 4.23Å; L389-L415 HydrophobicContact CD2-CB 4.48Å |
| 390 | V | 92.9 | Very high | 85.5 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 9% | 0.085 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 175.7 | 171 | 0 | 0 | 0 | 0 | 110.8 | C386 K388 S394 K401 L405 L408 | C386-V390 WeakPolarHBondContact O-CB 3.36Å; C386-V390 WeakPolarHBondContact O-CG2 3.28Å; C386-V390 PolarHBondContact O-N 3.11Å; K388-V390 VanDerWaalsContact C-N 3.34Å; V390-S394 WeakPolarHBondContact O-CB 3.27Å; V390-S394 PolarHBondContact O-N 3.15Å; V390-K401 HydrophobicContact CG1-CB 3.88Å; V390-K401 HydrophobicContact CG1-CG 4.16Å; V390-K401 WeakPolarHBondContact CG1-O 3.35Å; V390-L405 HydrophobicContact CG1-CB 4.41Å; V390-L405 HydrophobicContact CG2-CB 3.84Å; V390-L405 HydrophobicContact CG2-CD1 3.68Å; V390-L405 HydrophobicContact CG2-CG 4.35Å; V390-L408 HydrophobicContact CB-CD1 4.31Å; V390-L408 HydrophobicContact CG2-CD1 3.75Å |
| 391 | E | 92.1 | Very high | 87.3 | Confident | 100 Ų | 100 | 60.6 Ų | 60.6 | 47% | 0.467 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 176.9 | -175.4 | 163 | -137.7 | 0 | 0 | 111.8 | S387 K388 L389 S394 I395 | S387-E391 WeakPolarHBondContact O-CB 3.39Å; S387-E391 PolarHBondContact O-N 2.91Å; K388-E391 PolarHBondContact O-N 2.88Å; L389-E391 VanDerWaalsContact C-N 3.33Å; L389-E391 PolarHBondContact O-N 2.74Å; E391-S394 PolarHBondContact O-N 3.33Å; E391-I395 HydrophobicContact CG-CD1 3.81Å; E391-I395 WeakPolarHBondContact O-CB 3.13Å; E391-I395 WeakPolarHBondContact O-CD1 3.23Å; E391-I395 WeakPolarHBondContact O-CG1 3.43Å; E391-I395 PolarHBondContact O-N 3.32Å |
| 392 | E | 91.9 | Very high | 88.8 | Confident | 108 Ų | 108 | 62.4 Ų | 62.4 | 51% | 0.505 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 178 | -172.3 | 170.8 | -175.9 | 0 | 0 | 112.1 | K388 L389 I395 A396 L415 | K388-E392 WeakPolarHBondContact O-CB 3.47Å; K388-E392 PolarHBondContact O-N 3.31Å; L389-E392 PolarHBondContact O-N 3.29Å; E392-I395 PolarHBondContact O-N 2.94Å; E392-A396 VanDerWaalsContact O-CB 3.27Å; E392-A396 WeakPolarHBondContact O-CB 3.38Å; E392-A396 PolarHBondContact O-N 3.49Å; E392-L415 HydrophobicContact CG-CD2 3.9Å; E392-L415 WeakPolarHBondContact OE1-CD2 3.39Å |
| 393 | L | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 177.4 | -173.5 | 67.6 | 0 | 0 | 0 | 111.6 | L389 A396 T397 M399 S404 C407 L408 L415 A418 L419 | L389-L393 WeakPolarHBondContact O-CB 3.12Å; L389-L393 PolarHBondContact O-N 3.37Å; L393-A396 PolarHBondContact O-N 2.81Å; L393-T397 HydrophobicContact CD1-CG2 3.63Å; L393-T397 HydrophobicContact CG-CG2 4.12Å; L393-T397 WeakPolarHBondContact O-CB 3.31Å; L393-T397 WeakPolarHBondContact O-CG2 3.39Å; L393-T397 PolarHBondContact O-N 3.43Å; L393-T397 PolarHBondContact O-OG1 2.94Å; L393-M399 HydrophobicContact CD2-CE 4.35Å; L393-M399 HydrophobicContact CG-CE 4.46Å; L393-S404 WeakPolarHBondContact CD2-O 3.49Å; L393-C407 HydrophobicContact CD2-CB 3.96Å; L393-L408 HydrophobicContact CB-CD1 4.23Å; L393-L408 HydrophobicContact CB-CG 4.48Å; L393-L408 HydrophobicContact CD2-CD1 4.17Å; L393-L408 HydrophobicContact CD2-CD2 4.1Å; L393-L408 HydrophobicContact CD2-CG 3.65Å; L393-L415 HydrophobicContact CB-CD1 3.84Å; L393-L415 HydrophobicContact CD1-CD1 3.94Å; L393-L415 HydrophobicContact CG-CD1 4.44Å; L393-A418 HydrophobicContact CD1-CB 4.18Å; L393-A418 HydrophobicContact CD2-CB 3.92Å; L393-L419 HydrophobicContact CD1-CD2 3.63Å; L393-L419 HydrophobicContact CD1-CG 3.86Å |
| 394 | S | 92.4 | Very high | 90.2 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 176.8 | 178 | 0 | 0 | 0 | 0 | 111.2 | V390 E391 G398 M399 S404 | V390-S394 WeakPolarHBondContact O-CB 3.27Å; V390-S394 PolarHBondContact O-N 3.15Å; E391-S394 PolarHBondContact O-N 3.33Å; S394-G398 WeakPolarHBondContact O-CA 3.39Å; S394-G398 PolarHBondContact O-N 3.42Å; S394-M399 WeakPolarHBondContact CA-O 3.41Å; S394-M399 WeakPolarHBondContact CB-O 3.48Å; S394-M399 PolarHBondContact OG-O 2.77Å; S394-S404 WeakPolarHBondContact CA-OG 3.49Å; S394-S404 WeakPolarHBondContact CB-OG 3.46Å; S394-S404 PolarHBondContact N-OG 2.94Å |
| 395 | I | 90.4 | Very high | 90.7 | Very high | 134 Ų | 134 | 54.8 Ų | 54.8 | 69% | 0.687 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 176 | -68.3 | 166.2 | 0 | 0 | 0 | 111.1 | E391 E392 T397 | E391-I395 HydrophobicContact CG-CD1 3.81Å; E391-I395 WeakPolarHBondContact O-CB 3.13Å; E391-I395 WeakPolarHBondContact O-CD1 3.23Å; E391-I395 WeakPolarHBondContact O-CG1 3.43Å; E391-I395 PolarHBondContact O-N 3.32Å; E392-I395 PolarHBondContact O-N 2.94Å; I395-T397 PolarHBondContact O-N 3.02Å |
| 396 | A | 88.9 | Confident | 91 | Very high | 65 Ų | 65 | 58.3 Ų | 58.3 | 54% | 0.537 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.4 | -31.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E392 L393 L419 | E392-A396 VanDerWaalsContact O-CB 3.27Å; E392-A396 WeakPolarHBondContact O-CB 3.38Å; E392-A396 PolarHBondContact O-N 3.49Å; L393-A396 PolarHBondContact O-N 2.81Å; A396-L419 HydrophobicContact CB-CD2 3.86Å |
| 397 | T | 91 | Very high | 91.3 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 10% | 0.098 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -105.6 | -17.9 | -173 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | L393 I395 M399 L419 F422 | L393-T397 HydrophobicContact CD1-CG2 3.63Å; L393-T397 HydrophobicContact CG-CG2 4.12Å; L393-T397 WeakPolarHBondContact O-CB 3.31Å; L393-T397 WeakPolarHBondContact O-CG2 3.39Å; L393-T397 PolarHBondContact O-N 3.43Å; L393-T397 PolarHBondContact O-OG1 2.94Å; I395-T397 PolarHBondContact O-N 3.02Å; T397-M399 HydrophobicContact CG2-CE 4.06Å; T397-M399 PolarHBondContact O-N 2.81Å; T397-M399 WeakPolarHBondContact OG1-CB 3.41Å; T397-M399 WeakPolarHBondContact OG1-CE 3.28Å; T397-M399 PolarHBondContact OG1-N 2.91Å; T397-L419 HydrophobicContact CG2-CD2 3.85Å; T397-F422 HydrophobicContact CG2-CB 4.21Å; T397-F422 HydrophobicContact CG2-CD1 3.48Å; T397-F422 VanDerWaalsContact CG2-CD1 3.48Å; T397-F422 HydrophobicContact CG2-CD2 3.97Å; T397-F422 HydrophobicContact CG2-CE1 3.75Å; T397-F422 HydrophobicContact CG2-CE2 4.2Å; T397-F422 HydrophobicContact CG2-CG 3.59Å; T397-F422 HydrophobicContact CG2-CZ 4.11Å; T397-F422 WeakPolarHBondContact O-CZ 3.41Å |
| 398 | G | 91.6 | Very high | 91.2 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | trans | 73.1 | 2.1 | -170 | 0 | 0 | 0 | 0 | 0 | 113.9 | S394 | S394-G398 WeakPolarHBondContact O-CA 3.39Å; S394-G398 PolarHBondContact O-N 3.42Å | ||
| 399 | M | 91.2 | Very high | 91.1 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | trans | -69.7 | 149.2 | 173.4 | -66.6 | -171.4 | -65.8 | 0 | 0 | 110.6 | L393 S394 T397 C407 F422 L431 A435 F436 | L393-M399 HydrophobicContact CD2-CE 4.35Å; L393-M399 HydrophobicContact CG-CE 4.46Å; S394-M399 WeakPolarHBondContact CA-O 3.41Å; S394-M399 WeakPolarHBondContact CB-O 3.48Å; S394-M399 PolarHBondContact OG-O 2.77Å; T397-M399 HydrophobicContact CG2-CE 4.06Å; T397-M399 PolarHBondContact O-N 2.81Å; T397-M399 WeakPolarHBondContact OG1-CB 3.41Å; T397-M399 WeakPolarHBondContact OG1-CE 3.28Å; T397-M399 PolarHBondContact OG1-N 2.91Å; M399-C407 HydrophobicContact CE-CB 4.23Å; M399-F422 HydrophobicContact CE-CB 4.48Å; M399-F422 HydrophobicContact CE-CD2 3.52Å; M399-F422 HydrophobicContact CE-CE2 4.08Å; M399-F422 HydrophobicContact CE-CG 4.23Å; M399-F422 HydrophobicContact CG-CD2 4.13Å; M399-F422 HydrophobicContact CG-CE2 3.72Å; M399-F422 HydrophobicContact SD-CD2 3.54Å; M399-F422 VanDerWaalsContact SD-CD2 3.54Å; M399-F422 HydrophobicContact SD-CE2 3.72Å; M399-L431 HydrophobicContact SD-CD1 4.47Å; M399-A435 CarbonylContact C-O 3.5Å; M399-A435 VanDerWaalsContact CA-O 3.25Å; M399-A435 WeakPolarHBondContact CA-O 3.48Å; M399-F436 HydrophobicContact CG-CD1 4.37Å; M399-F436 HydrophobicContact CG-CE1 3.78Å; M399-F436 HydrophobicContact CG-CZ 4.19Å | ||
| 400 | N | 93.2 | Very high | 90.8 | Very high | 15 Ų | 15 | 56.2 Ų | 56.2 | 8% | 0.08 | 31% | 0.31 | C | S | . | . | trans | -65.6 | 162.2 | 168.7 | 70.5 | 46.1 | 0 | 0 | 0 | 111.2 | A402 Y403 S404 E434 A435 S437 | N400-A402 PolarHBondContact O-N 3.36Å; N400-A402 WeakPolarHBondContact OD1-CB 3.32Å; N400-A402 PolarHBondContact OD1-N 2.97Å; N400-A402 VanDerWaalsContact OD1-N 3.11Å; N400-Y403 PolarHBondContact O-N 2.89Å; N400-Y403 WeakPolarHBondContact OD1-CD2 3.45Å; N400-Y403 PolarHBondContact OD1-N 3.3Å; N400-S404 PolarHBondContact O-N 2.65Å; N400-S404 PolarHBondContact O-OG 3.32Å; N400-S404 VanDerWaalsContact O-OG 3.12Å; N400-E434 PolarHBondContact ND2-O 3.1Å; N400-A435 PolarHBondContact N-O 2.98Å; N400-A435 PolarHBondContact ND2-O 2.75Å; N400-S437 PolarHBondContact ND2-O 2.91Å | ||
| 401 | K | 92.8 | Very high | 90.5 | Very high | 128 Ų | 128 | 56.5 Ų | 56.5 | 56% | 0.557 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60 | -30.4 | -174.5 | -67.5 | -176.4 | 175.9 | -176.2 | 0 | 113.6 | V390 L405 | V390-K401 HydrophobicContact CG1-CB 3.88Å; V390-K401 HydrophobicContact CG1-CG 4.16Å; V390-K401 WeakPolarHBondContact CG1-O 3.35Å; K401-L405 VanDerWaalsContact O-CB 3.25Å; K401-L405 WeakPolarHBondContact O-CB 3.24Å; K401-L405 PolarHBondContact O-N 2.73Å |
| 402 | A | 91.6 | Very high | 90.2 | Very high | 62 Ų | 62 | 62.8 Ų | 62.8 | 51% | 0.512 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.3 | -46.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N400 L405 Q406 | N400-A402 PolarHBondContact O-N 3.36Å; N400-A402 WeakPolarHBondContact OD1-CB 3.32Å; N400-A402 PolarHBondContact OD1-N 2.97Å; N400-A402 VanDerWaalsContact OD1-N 3.11Å; A402-L405 PolarHBondContact O-N 3.42Å; A402-Q406 PolarHBondContact O-N 2.84Å |
| 403 | Y | 90.5 | Very high | 89.8 | Confident | 64 Ų | 64 | 59 Ų | 59 | 25% | 0.251 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71 | -36.1 | 176.1 | -83.1 | -94.2 | 0 | 0 | 0 | 112.4 | N400 L405 Q406 C407 P432 E434 A435 | N400-Y403 PolarHBondContact O-N 2.89Å; N400-Y403 WeakPolarHBondContact OD1-CD2 3.45Å; N400-Y403 PolarHBondContact OD1-N 3.3Å; Y403-L405 VanDerWaalsContact C-N 3.34Å; Y403-Q406 PolarHBondContact O-N 2.96Å; Y403-C407 VanDerWaalsContact O-CB 3.31Å; Y403-C407 WeakPolarHBondContact O-CB 3.4Å; Y403-C407 PolarHBondContact O-N 3.3Å; Y403-P432 HydrophobicContact CE1-CG 3.49Å; Y403-P432 VanDerWaalsContact CE1-CG 3.49Å; Y403-P432 WeakPolarHBondContact OH-CG 3.25Å; Y403-E434 HydrophobicContact CE2-CB 4.49Å; Y403-A435 HydrophobicContact CD1-CB 3.67Å; Y403-A435 VanDerWaalsContact CD2-CA 3.46Å; Y403-A435 HydrophobicContact CD2-CB 3.84Å; Y403-A435 HydrophobicContact CE1-CB 3.95Å; Y403-A435 HydrophobicContact CE2-CB 4.08Å; Y403-A435 HydrophobicContact CG-CB 3.61Å |
| 404 | S | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 172 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | L393 S394 N400 C407 L408 | L393-S404 WeakPolarHBondContact CD2-O 3.49Å; S394-S404 WeakPolarHBondContact CA-OG 3.49Å; S394-S404 WeakPolarHBondContact CB-OG 3.46Å; S394-S404 PolarHBondContact N-OG 2.94Å; N400-S404 PolarHBondContact O-N 2.65Å; N400-S404 PolarHBondContact O-OG 3.32Å; N400-S404 VanDerWaalsContact O-OG 3.12Å; S404-C407 PolarHBondContact O-N 3.24Å; S404-L408 WeakPolarHBondContact O-CB 3.36Å; S404-L408 WeakPolarHBondContact O-CG 3.37Å; S404-L408 PolarHBondContact O-N 3.09Å |
| 405 | L | 91.8 | Very high | 89.1 | Confident | 75 Ų | 75 | 62.5 Ų | 62.5 | 39% | 0.393 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 174.6 | 177.6 | 63.3 | 0 | 0 | 0 | 112 | V390 K401 A402 Y403 L408 T409 F413 | V390-L405 HydrophobicContact CG1-CB 4.41Å; V390-L405 HydrophobicContact CG2-CB 3.84Å; V390-L405 HydrophobicContact CG2-CD1 3.68Å; V390-L405 HydrophobicContact CG2-CG 4.35Å; K401-L405 VanDerWaalsContact O-CB 3.25Å; K401-L405 WeakPolarHBondContact O-CB 3.24Å; K401-L405 PolarHBondContact O-N 2.73Å; A402-L405 PolarHBondContact O-N 3.42Å; Y403-L405 VanDerWaalsContact C-N 3.34Å; L405-L408 PolarHBondContact O-N 3.29Å; L405-T409 WeakPolarHBondContact O-CB 3.43Å; L405-T409 PolarHBondContact O-N 3.1Å; L405-T409 PolarHBondContact O-OG1 3.35Å; L405-F413 HydrophobicContact CD1-CE1 4.1Å; L405-F413 HydrophobicContact CD1-CZ 4.1Å |
| 406 | Q | 90.4 | Very high | 88.7 | Confident | 98 Ų | 98 | 59.4 Ų | 59.4 | 46% | 0.458 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 176.1 | -176.8 | -179.7 | -12.2 | 0 | 0 | 111.3 | A402 Y403 L408 T409 E410 | A402-Q406 PolarHBondContact O-N 2.84Å; Y403-Q406 PolarHBondContact O-N 2.96Å; Q406-L408 VanDerWaalsContact C-N 3.34Å; Q406-L408 PolarHBondContact O-N 3.22Å; Q406-T409 WeakPolarHBondContact O-CB 3.42Å; Q406-T409 PolarHBondContact O-N 3.5Å; Q406-T409 VanDerWaalsContact O-N 3.09Å; Q406-E410 WeakPolarHBondContact CG-OE1 3.33Å; Q406-E410 PolarHBondContact NE2-OE1 2.85Å; Q406-E410 WeakPolarHBondContact O-CG 3.47Å; Q406-E410 PolarHBondContact O-N 3.38Å |
| 407 | C | 90 | Very high | 88.4 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 13% | 0.128 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 179.3 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | L393 M399 Y403 S404 E410 C411 | L393-C407 HydrophobicContact CD2-CB 3.96Å; M399-C407 HydrophobicContact CE-CB 4.23Å; Y403-C407 VanDerWaalsContact O-CB 3.31Å; Y403-C407 WeakPolarHBondContact O-CB 3.4Å; Y403-C407 PolarHBondContact O-N 3.3Å; S404-C407 PolarHBondContact O-N 3.24Å; C407-E410 PolarHBondContact O-N 2.84Å; C407-C411 WeakPolarHBondContact O-CB 3.41Å; C407-C411 PolarHBondContact O-N 2.67Å; C407-C411 PolarHBondContact O-SG 2.86Å; C407-C411 VanDerWaalsContact O-SG 3.39Å |
| 408 | L | 88.3 | Confident | 88 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 173.7 | -73.9 | 164.4 | 0 | 0 | 0 | 111.6 | L389 V390 L393 S404 L405 Q406 E410 C411 R412 F413 L415 A418 | L389-L408 VanDerWaalsContact C-CD1 3.45Å; L389-L408 HydrophobicContact CB-CD1 3.84Å; L389-L408 HydrophobicContact CB-CD2 4.42Å; L389-L408 WeakPolarHBondContact O-CD1 3.42Å; V390-L408 HydrophobicContact CB-CD1 4.31Å; V390-L408 HydrophobicContact CG2-CD1 3.75Å; L393-L408 HydrophobicContact CB-CD1 4.23Å; L393-L408 HydrophobicContact CB-CG 4.48Å; L393-L408 HydrophobicContact CD2-CD1 4.17Å; L393-L408 HydrophobicContact CD2-CD2 4.1Å; L393-L408 HydrophobicContact CD2-CG 3.65Å; S404-L408 WeakPolarHBondContact O-CB 3.36Å; S404-L408 WeakPolarHBondContact O-CG 3.37Å; S404-L408 PolarHBondContact O-N 3.09Å; L405-L408 PolarHBondContact O-N 3.29Å; Q406-L408 VanDerWaalsContact C-N 3.34Å; Q406-L408 PolarHBondContact O-N 3.22Å; L408-E410 VanDerWaalsContact C-N 3.34Å; L408-E410 PolarHBondContact O-N 2.94Å; L408-C411 CarbonylContact O-C 3.27Å; L408-C411 VanDerWaalsContact O-C 3.27Å; L408-C411 PolarHBondContact O-N 2.97Å; L408-C411 VanDerWaalsContact O-N 3.16Å; L408-R412 PolarHBondContact O-N 2.91Å; L408-F413 HydrophobicContact CB-CD1 3.88Å; L408-F413 HydrophobicContact CB-CE1 4.1Å; L408-F413 HydrophobicContact CB-CG 4.41Å; L408-F413 WeakPolarHBondContact O-CA 3.48Å; L408-F413 PolarHBondContact O-N 3.24Å; L408-L415 HydrophobicContact CD2-CD1 4.32Å; L408-A418 HydrophobicContact CD2-CB 3.94Å |
| 409 | T | 86.6 | Confident | 87.9 | Confident | 68 Ų | 68 | 57.7 Ų | 57.7 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | -179.8 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | L405 Q406 C411 R412 | L405-T409 WeakPolarHBondContact O-CB 3.43Å; L405-T409 PolarHBondContact O-N 3.1Å; L405-T409 PolarHBondContact O-OG1 3.35Å; Q406-T409 WeakPolarHBondContact O-CB 3.42Å; Q406-T409 PolarHBondContact O-N 3.5Å; Q406-T409 VanDerWaalsContact O-N 3.09Å; T409-C411 VanDerWaalsContact C-N 3.33Å; T409-C411 PolarHBondContact O-N 3.23Å; T409-R412 PolarHBondContact O-N 2.9Å |
| 410 | E | 85.5 | Confident | 87.4 | Confident | 138 Ų | 138 | 62 Ų | 62 | 65% | 0.645 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.2 | -34.8 | 176.8 | -70.1 | 178.2 | -162.2 | 0 | 0 | 112.2 | Q406 C407 L408 R412 | Q406-E410 WeakPolarHBondContact CG-OE1 3.33Å; Q406-E410 PolarHBondContact NE2-OE1 2.85Å; Q406-E410 WeakPolarHBondContact O-CG 3.47Å; Q406-E410 PolarHBondContact O-N 3.38Å; C407-E410 PolarHBondContact O-N 2.84Å; L408-E410 VanDerWaalsContact C-N 3.34Å; L408-E410 PolarHBondContact O-N 2.94Å; E410-R412 VanDerWaalsContact C-N 3.28Å; E410-R412 PolarHBondContact O-N 3.19Å |
| 411 | C | 86.1 | Confident | 86.8 | Confident | 21 Ų | 21 | 63.4 Ų | 63.4 | 14% | 0.142 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 17.2 | 175 | -63.2 | 0 | 0 | 0 | 0 | 113.8 | C407 L408 T409 F413 D414 A418 | C407-C411 WeakPolarHBondContact O-CB 3.41Å; C407-C411 PolarHBondContact O-N 2.67Å; C407-C411 PolarHBondContact O-SG 2.86Å; C407-C411 VanDerWaalsContact O-SG 3.39Å; L408-C411 CarbonylContact O-C 3.27Å; L408-C411 VanDerWaalsContact O-C 3.27Å; L408-C411 PolarHBondContact O-N 2.97Å; L408-C411 VanDerWaalsContact O-N 3.16Å; T409-C411 VanDerWaalsContact C-N 3.33Å; T409-C411 PolarHBondContact O-N 3.23Å; C411-F413 PolarHBondContact O-N 3.49Å; C411-D414 WeakPolarHBondContact O-CB 3.31Å; C411-D414 PolarHBondContact O-N 3.3Å; C411-A418 HydrophobicContact CB-CB 3.97Å; C411-A418 VanDerWaalsContact SG-CA 3.57Å |
| 412 | R | 85.8 | Confident | 86.5 | Confident | 232 Ų | 232 | 58.5 Ų | 58.5 | 88% | 0.875 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 36.5 | 178.4 | -54.9 | -179.4 | -179.9 | 169.7 | 0.3 | 113.8 | L408 T409 E410 D414 | L408-R412 PolarHBondContact O-N 2.91Å; T409-R412 PolarHBondContact O-N 2.9Å; E410-R412 VanDerWaalsContact C-N 3.28Å; E410-R412 PolarHBondContact O-N 3.19Å; R412-D414 PolarHBondContact O-N 2.67Å |
| 413 | F | 84.4 | Confident | 86.1 | Confident | 29 Ų | 29 | 60.6 Ų | 60.6 | 13% | 0.127 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 24.3 | -176.8 | -67.3 | -93.6 | 0 | 0 | 0 | 114.4 | P381 C386 L389 L405 L408 C411 | P381-F413 HydrophobicContact CG-CB 4.23Å; P381-F413 HydrophobicContact CG-CD1 4.16Å; P381-F413 HydrophobicContact CG-CD2 3.67Å; P381-F413 HydrophobicContact CG-CE1 4.46Å; P381-F413 HydrophobicContact CG-CE2 4.01Å; P381-F413 HydrophobicContact CG-CG 3.75Å; P381-F413 HydrophobicContact CG-CZ 4.39Å; C386-F413 HydrophobicContact CB-CE1 4.14Å; C386-F413 VanDerWaalsContact SG-CE1 3.59Å; L389-F413 HydrophobicContact CD1-CB 4.17Å; L389-F413 HydrophobicContact CD1-CD1 4.23Å; L405-F413 HydrophobicContact CD1-CE1 4.1Å; L405-F413 HydrophobicContact CD1-CZ 4.1Å; L408-F413 HydrophobicContact CB-CD1 3.88Å; L408-F413 HydrophobicContact CB-CE1 4.1Å; L408-F413 HydrophobicContact CB-CG 4.41Å; L408-F413 WeakPolarHBondContact O-CA 3.48Å; L408-F413 PolarHBondContact O-N 3.24Å; C411-F413 PolarHBondContact O-N 3.49Å |
| 414 | D | 83 | Confident | 85.6 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 35% | 0.348 | 31% | 0.312 | S | S | . | . | trans | -86.5 | 110.1 | 167.7 | 177.1 | 11.3 | 0 | 0 | 0 | 110.2 | C411 R412 D416 S417 A418 | C411-D414 WeakPolarHBondContact O-CB 3.31Å; C411-D414 PolarHBondContact O-N 3.3Å; R412-D414 PolarHBondContact O-N 2.67Å; D414-D416 PolarHBondContact O-N 3.44Å; D414-D416 PolarHBondContact OD1-N 2.83Å; D414-S417 PolarHBondContact O-N 3.47Å; D414-S417 WeakPolarHBondContact OD2-CB 3.18Å; D414-S417 PolarHBondContact OD2-OG 3.15Å; D414-A418 WeakPolarHBondContact O-CB 3.3Å; D414-A418 PolarHBondContact O-N 3.01Å | ||
| 415 | L | 86.2 | Confident | 85 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.4 | -38.8 | -175.5 | -175.6 | 66.7 | 0 | 0 | 0 | 112.6 | L389 E392 L393 L408 A418 L419 | L389-L415 HydrophobicContact CD2-CB 4.48Å; E392-L415 HydrophobicContact CG-CD2 3.9Å; E392-L415 WeakPolarHBondContact OE1-CD2 3.39Å; L393-L415 HydrophobicContact CB-CD1 3.84Å; L393-L415 HydrophobicContact CD1-CD1 3.94Å; L393-L415 HydrophobicContact CG-CD1 4.44Å; L408-L415 HydrophobicContact CD2-CD1 4.32Å; L415-A418 PolarHBondContact O-N 2.87Å; L415-L419 HydrophobicContact CG-CD1 4.21Å; L415-L419 WeakPolarHBondContact O-CB 3.43Å; L415-L419 WeakPolarHBondContact O-CG 3.48Å; L415-L419 PolarHBondContact O-N 3.09Å |
| 416 | D | 82.5 | Confident | 84.6 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 37% | 0.369 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.4 | -43.4 | 179.7 | -81.5 | -30.5 | 0 | 0 | 0 | 110.3 | Q109 D414 A418 L419 H420 | Q109-D416 PolarHBondContact NE2-OD1 3.22Å; D414-D416 PolarHBondContact O-N 3.44Å; D414-D416 PolarHBondContact OD1-N 2.83Å; D416-A418 VanDerWaalsContact C-N 3.33Å; D416-A418 PolarHBondContact O-N 3.26Å; D416-L419 PolarHBondContact O-N 2.78Å; D416-H420 WeakPolarHBondContact O-CB 3.3Å; D416-H420 PolarHBondContact O-N 3.46Å |
| 417 | S | 80.8 | Confident | 84.1 | Confident | 50 Ų | 50 | 70.2 Ų | 70.2 | 35% | 0.35 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 173.2 | -72.3 | 0 | 0 | 0 | 0 | 112.3 | D414 S421 | D414-S417 PolarHBondContact O-N 3.47Å; D414-S417 WeakPolarHBondContact OD2-CB 3.18Å; D414-S417 PolarHBondContact OD2-OG 3.15Å; S417-S421 VanDerWaalsContact O-CB 3.25Å; S417-S421 WeakPolarHBondContact O-CB 3.46Å; S417-S421 PolarHBondContact O-N 2.93Å; S417-S421 PolarHBondContact O-OG 3.14Å |
| 418 | A | 84.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L393 L408 C411 D414 L415 D416 H420 S421 F422 | L393-A418 HydrophobicContact CD1-CB 4.18Å; L393-A418 HydrophobicContact CD2-CB 3.92Å; L408-A418 HydrophobicContact CD2-CB 3.94Å; C411-A418 HydrophobicContact CB-CB 3.97Å; C411-A418 VanDerWaalsContact SG-CA 3.57Å; D414-A418 WeakPolarHBondContact O-CB 3.3Å; D414-A418 PolarHBondContact O-N 3.01Å; L415-A418 PolarHBondContact O-N 2.87Å; D416-A418 VanDerWaalsContact C-N 3.33Å; D416-A418 PolarHBondContact O-N 3.26Å; A418-H420 PolarHBondContact O-N 3.2Å; A418-S421 PolarHBondContact O-N 2.89Å; A418-F422 VanDerWaalsContact O-CB 3.29Å; A418-F422 WeakPolarHBondContact O-CB 3.21Å; A418-F422 PolarHBondContact O-N 2.96Å |
| 419 | L | 87.7 | Confident | 83.5 | Confident | 43 Ų | 43 | 75.2 Ų | 75.2 | 23% | 0.225 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 176.6 | -76.9 | 170 | 0 | 0 | 0 | 112.2 | L393 A396 T397 L415 D416 F422 Q423 | L393-L419 HydrophobicContact CD1-CD2 3.63Å; L393-L419 HydrophobicContact CD1-CG 3.86Å; A396-L419 HydrophobicContact CB-CD2 3.86Å; T397-L419 HydrophobicContact CG2-CD2 3.85Å; L415-L419 HydrophobicContact CG-CD1 4.21Å; L415-L419 WeakPolarHBondContact O-CB 3.43Å; L415-L419 WeakPolarHBondContact O-CG 3.48Å; L415-L419 PolarHBondContact O-N 3.09Å; D416-L419 PolarHBondContact O-N 2.78Å; L419-F422 PolarHBondContact O-N 3.05Å; L419-Q423 WeakPolarHBondContact O-CG 3.19Å; L419-Q423 PolarHBondContact O-N 2.99Å |
| 420 | H | 81.7 | Confident | 83.3 | Confident | 96 Ų | 96 | 78.1 Ų | 78.1 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 177.5 | 177.2 | -102.7 | 0 | 0 | 0 | 112.1 | D416 A418 Q423 K424 | D416-H420 WeakPolarHBondContact O-CB 3.3Å; D416-H420 PolarHBondContact O-N 3.46Å; A418-H420 PolarHBondContact O-N 3.2Å; H420-Q423 PolarHBondContact O-N 3.04Å; H420-K424 WeakPolarHBondContact CE1-CE 3.47Å; H420-K424 PolarHBondContact CE1-NZ 3.5Å; H420-K424 VanDerWaalsContact CE1-NZ 3.33Å; H420-K424 PolarHBondContact O-N 3.1Å |
| 421 | S | 80.2 | Confident | 83 | Confident | 45 Ų | 45 | 73.4 Ų | 73.4 | 32% | 0.315 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 175 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | S417 A418 Q423 K424 V425 | S417-S421 VanDerWaalsContact O-CB 3.25Å; S417-S421 WeakPolarHBondContact O-CB 3.46Å; S417-S421 PolarHBondContact O-N 2.93Å; S417-S421 PolarHBondContact O-OG 3.14Å; A418-S421 PolarHBondContact O-N 2.89Å; S421-Q423 PolarHBondContact O-N 3.38Å; S421-K424 PolarHBondContact O-N 3.48Å; S421-V425 VanDerWaalsContact O-CG2 3.29Å; S421-V425 WeakPolarHBondContact O-CG2 3.46Å; S421-V425 PolarHBondContact O-N 2.95Å |
| 422 | F | 87.9 | Confident | 83.1 | Confident | 24 Ų | 24 | 74.6 Ų | 74.6 | 11% | 0.105 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -54.4 | -49.7 | 173.4 | 166.6 | -99.2 | 0 | 0 | 0 | 111.6 | T397 M399 A418 L419 K424 V425 H426 L431 F436 | T397-F422 HydrophobicContact CG2-CB 4.21Å; T397-F422 HydrophobicContact CG2-CD1 3.48Å; T397-F422 VanDerWaalsContact CG2-CD1 3.48Å; T397-F422 HydrophobicContact CG2-CD2 3.97Å; T397-F422 HydrophobicContact CG2-CE1 3.75Å; T397-F422 HydrophobicContact CG2-CE2 4.2Å; T397-F422 HydrophobicContact CG2-CG 3.59Å; T397-F422 HydrophobicContact CG2-CZ 4.11Å; T397-F422 WeakPolarHBondContact O-CZ 3.41Å; M399-F422 HydrophobicContact CE-CB 4.48Å; M399-F422 HydrophobicContact CE-CD2 3.52Å; M399-F422 HydrophobicContact CE-CE2 4.08Å; M399-F422 HydrophobicContact CE-CG 4.23Å; M399-F422 HydrophobicContact CG-CD2 4.13Å; M399-F422 HydrophobicContact CG-CE2 3.72Å; M399-F422 HydrophobicContact SD-CD2 3.54Å; M399-F422 VanDerWaalsContact SD-CD2 3.54Å; M399-F422 HydrophobicContact SD-CE2 3.72Å; A418-F422 VanDerWaalsContact O-CB 3.29Å; A418-F422 WeakPolarHBondContact O-CB 3.21Å; A418-F422 PolarHBondContact O-N 2.96Å; L419-F422 PolarHBondContact O-N 3.05Å; F422-K424 VanDerWaalsContact C-N 3.34Å; F422-K424 PolarHBondContact O-N 2.85Å; F422-V425 PolarHBondContact O-N 3.31Å; F422-H426 HydrophobicContact CE1-CB 4.47Å; F422-H426 HydrophobicContact CE2-CB 4.32Å; F422-H426 HydrophobicContact CZ-CB 4.21Å; F422-H426 WeakPolarHBondContact O-CB 3.48Å; F422-H426 PolarHBondContact O-N 3.46Å; F422-L431 HydrophobicContact CD2-CD1 3.67Å; F422-L431 HydrophobicContact CE2-CD1 3.44Å; F422-L431 VanDerWaalsContact CE2-CD1 3.44Å; F422-L431 HydrophobicContact CZ-CD1 4.43Å; F422-F436 HydrophobicContact CE2-CE1 4.15Å; F422-F436 HydrophobicContact CE2-CZ 4.02Å; F422-F436 HydrophobicContact CZ-CE1 4.34Å; F422-F436 HydrophobicContact CZ-CZ 4.41Å |
| 423 | Q | 82.5 | Confident | 83 | Confident | 107 Ų | 107 | 67.4 Ų | 67.4 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.9 | -46.9 | 179.5 | -76.4 | 172.7 | -3.3 | 0 | 0 | 111.7 | L419 H420 S421 V425 H426 E427 | L419-Q423 WeakPolarHBondContact O-CG 3.19Å; L419-Q423 PolarHBondContact O-N 2.99Å; H420-Q423 PolarHBondContact O-N 3.04Å; S421-Q423 PolarHBondContact O-N 3.38Å; Q423-V425 PolarHBondContact O-N 3.34Å; Q423-H426 PolarHBondContact O-N 2.85Å; Q423-E427 WeakPolarHBondContact O-CB 3.49Å; Q423-E427 VanDerWaalsContact O-CG 3.28Å; Q423-E427 WeakPolarHBondContact O-CG 3.48Å; Q423-E427 PolarHBondContact O-N 3.07Å |
| 424 | K | 80.3 | Confident | 83.3 | Confident | 126 Ų | 126 | 71.6 Ų | 71.6 | 55% | 0.548 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 178.1 | -74.9 | -176.2 | 172.4 | -176.3 | 0 | 113.1 | H420 S421 F422 A428 | H420-K424 WeakPolarHBondContact CE1-CE 3.47Å; H420-K424 PolarHBondContact CE1-NZ 3.5Å; H420-K424 VanDerWaalsContact CE1-NZ 3.33Å; H420-K424 PolarHBondContact O-N 3.1Å; S421-K424 PolarHBondContact O-N 3.48Å; F422-K424 VanDerWaalsContact C-N 3.34Å; F422-K424 PolarHBondContact O-N 2.85Å; K424-A428 WeakPolarHBondContact O-CB 3.37Å; K424-A428 PolarHBondContact O-N 3.04Å; K424-A428 VanDerWaalsContact O-N 3.13Å |
| 425 | V | 78.5 | Confident | 83.5 | Confident | 54 Ų | 54 | 68.5 Ų | 68.5 | 33% | 0.327 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -73.4 | -36.9 | -177.3 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | S421 F422 Q423 A428 G429 L430 L431 | S421-V425 VanDerWaalsContact O-CG2 3.29Å; S421-V425 WeakPolarHBondContact O-CG2 3.46Å; S421-V425 PolarHBondContact O-N 2.95Å; F422-V425 PolarHBondContact O-N 3.31Å; Q423-V425 PolarHBondContact O-N 3.34Å; V425-A428 PolarHBondContact O-N 3.33Å; V425-G429 PolarHBondContact O-N 2.93Å; V425-L430 HydrophobicContact CG1-CB 3.64Å; V425-L430 PolarHBondContact O-N 3.12Å; V425-L431 HydrophobicContact CB-CD2 4.35Å; V425-L431 HydrophobicContact CB-CG 4.38Å; V425-L431 HydrophobicContact CG1-CD2 3.64Å; V425-L431 HydrophobicContact CG1-CG 3.79Å |
| 426 | H | 83.4 | Confident | 83.7 | Confident | 99 Ų | 99 | 70.9 Ų | 70.9 | 46% | 0.458 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.7 | -47 | 175.2 | -177.6 | -93.8 | 0 | 0 | 0 | 111.8 | F422 Q423 A428 G429 L431 F436 | F422-H426 HydrophobicContact CE1-CB 4.47Å; F422-H426 HydrophobicContact CE2-CB 4.32Å; F422-H426 HydrophobicContact CZ-CB 4.21Å; F422-H426 WeakPolarHBondContact O-CB 3.48Å; F422-H426 PolarHBondContact O-N 3.46Å; Q423-H426 PolarHBondContact O-N 2.85Å; H426-A428 VanDerWaalsContact C-N 3.26Å; H426-A428 PolarHBondContact O-N 3.3Å; H426-G429 PolarHBondContact O-N 3.49Å; H426-L431 HydrophobicContact CB-CD1 3.74Å; H426-F436 AromaticContact CD2-CZ 3.87Å |
| 427 | E | 79.6 | Confident | 83.7 | Confident | 159 Ų | 159 | 70 Ų | 70 | 74% | 0.743 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.6 | -32.9 | 176 | -74.9 | 177 | 179.5 | 0 | 0 | 112.6 | Q423 G429 | Q423-E427 WeakPolarHBondContact O-CB 3.49Å; Q423-E427 VanDerWaalsContact O-CG 3.28Å; Q423-E427 WeakPolarHBondContact O-CG 3.48Å; Q423-E427 PolarHBondContact O-N 3.07Å; E427-G429 PolarHBondContact O-N 2.89Å |
| 428 | A | 81.5 | Confident | 82.9 | Confident | 62 Ų | 62 | 76.4 Ų | 76.4 | 51% | 0.512 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -5.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K424 V425 H426 L430 | K424-A428 WeakPolarHBondContact O-CB 3.37Å; K424-A428 PolarHBondContact O-N 3.04Å; K424-A428 VanDerWaalsContact O-N 3.13Å; V425-A428 PolarHBondContact O-N 3.33Å; H426-A428 VanDerWaalsContact C-N 3.26Å; H426-A428 PolarHBondContact O-N 3.3Å; A428-L430 HydrophobicContact CB-CD1 3.78Å; A428-L430 HydrophobicContact CB-CG 3.81Å; A428-L430 PolarHBondContact O-N 3.46Å |
| 429 | G | 84 | Confident | 81.4 | Confident | 63 Ų | 63 | 85.5 Ų | 85.5 | 65% | 0.649 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 24.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V425 H426 E427 | V425-G429 PolarHBondContact O-N 2.93Å; H426-G429 PolarHBondContact O-N 3.49Å; E427-G429 PolarHBondContact O-N 2.89Å |
| 430 | L | 83 | Confident | 81.1 | Confident | 128 Ų | 128 | 87.7 Ų | 87.7 | 67% | 0.67 | 48% | 0.482 | S | S | * | . | trans | -93 | -3.5 | -174.8 | -67.1 | 175.4 | 0 | 0 | 0 | 113.4 | V425 A428 | V425-L430 HydrophobicContact CG1-CB 3.64Å; V425-L430 PolarHBondContact O-N 3.12Å; A428-L430 HydrophobicContact CB-CD1 3.78Å; A428-L430 HydrophobicContact CB-CG 3.81Å; A428-L430 PolarHBondContact O-N 3.46Å | ||
| 431 | L | 80.5 | Confident | 81.1 | Confident | 39 Ų | 39 | 87.2 Ų | 87.2 | 20% | 0.204 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -82.2 | 128.9 | 176 | -68.5 | 175.5 | 0 | 0 | 0 | 110.6 | M399 F422 V425 H426 F436 | M399-L431 HydrophobicContact SD-CD1 4.47Å; F422-L431 HydrophobicContact CD2-CD1 3.67Å; F422-L431 HydrophobicContact CE2-CD1 3.44Å; F422-L431 VanDerWaalsContact CE2-CD1 3.44Å; F422-L431 HydrophobicContact CZ-CD1 4.43Å; V425-L431 HydrophobicContact CB-CD2 4.35Å; V425-L431 HydrophobicContact CB-CG 4.38Å; V425-L431 HydrophobicContact CG1-CD2 3.64Å; V425-L431 HydrophobicContact CG1-CG 3.79Å; H426-L431 HydrophobicContact CB-CD1 3.74Å; L431-F436 HydrophobicContact CB-CE2 3.94Å; L431-F436 HydrophobicContact CB-CZ 4.37Å; L431-F436 HydrophobicContact CD1-CE2 4.15Å; L431-F436 HydrophobicContact CD1-CZ 3.71Å |
| 432 | P | 86.9 | Confident | 81.2 | Confident | 47 Ų | 47 | 89.6 Ų | 89.6 | 31% | 0.305 | 49% | 0.494 | S | S | . | . | trans | -68.3 | 152.9 | 176.6 | 29.6 | -34.3 | 0 | 0 | 0 | 111 | Y403 E434 A435 | Y403-P432 HydrophobicContact CE1-CG 3.49Å; Y403-P432 VanDerWaalsContact CE1-CG 3.49Å; Y403-P432 WeakPolarHBondContact OH-CG 3.25Å; P432-E434 WeakPolarHBondContact CB-OE2 3.49Å; P432-E434 PolarHBondContact O-N 2.91Å; P432-A435 HydrophobicContact CG-CB 4.37Å; P432-A435 VanDerWaalsContact O-CB 3.25Å; P432-A435 WeakPolarHBondContact O-CB 3.42Å; P432-A435 PolarHBondContact O-N 3.1Å | ||
| 433 | A | 85 | Confident | 80.8 | Confident | 81 Ų | 81 | 93.4 Ų | 93.4 | 67% | 0.669 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -62.3 | -31.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A435 F436 S437 | A433-A435 PolarHBondContact O-N 3.38Å; A433-F436 PolarHBondContact O-N 2.97Å; A433-F436 VanDerWaalsContact O-N 3.07Å; A433-S437 PolarHBondContact O-N 3.25Å |
| 434 | E | 89.9 | Confident | 80.6 | Confident | 116 Ų | 116 | 92.6 Ų | 92.6 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -59.4 | -23.1 | 175.2 | -63.2 | 80.6 | 179.6 | 0 | 0 | 112.6 | N400 Y403 P432 F436 S437 | N400-E434 PolarHBondContact ND2-O 3.1Å; Y403-E434 HydrophobicContact CE2-CB 4.49Å; P432-E434 WeakPolarHBondContact CB-OE2 3.49Å; P432-E434 PolarHBondContact O-N 2.91Å; E434-F436 PolarHBondContact O-N 3.27Å; E434-S437 PolarHBondContact O-N 3.35Å; E434-S437 PolarHBondContact O-OG 3.17Å |
| 435 | A | 86.9 | Confident | 80.7 | Confident | 0 Ų | 0 | 90.3 Ų | 90.3 | 0% | 0 | 52% | 0.516 | C | S | . | . | G | 310 helix | trans | -64.2 | -22.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M399 N400 Y403 P432 A433 | M399-A435 CarbonylContact C-O 3.5Å; M399-A435 VanDerWaalsContact CA-O 3.25Å; M399-A435 WeakPolarHBondContact CA-O 3.48Å; N400-A435 PolarHBondContact N-O 2.98Å; N400-A435 PolarHBondContact ND2-O 2.75Å; Y403-A435 HydrophobicContact CD1-CB 3.67Å; Y403-A435 VanDerWaalsContact CD2-CA 3.46Å; Y403-A435 HydrophobicContact CD2-CB 3.84Å; Y403-A435 HydrophobicContact CE1-CB 3.95Å; Y403-A435 HydrophobicContact CE2-CB 4.08Å; Y403-A435 HydrophobicContact CG-CB 3.61Å; P432-A435 HydrophobicContact CG-CB 4.37Å; P432-A435 VanDerWaalsContact O-CB 3.25Å; P432-A435 WeakPolarHBondContact O-CB 3.42Å; P432-A435 PolarHBondContact O-N 3.1Å; A433-A435 PolarHBondContact O-N 3.38Å |
| 436 | F | 90.7 | Very high | 80.8 | Confident | 81 Ų | 81 | 92.9 Ų | 92.9 | 36% | 0.355 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -114.3 | 1.8 | -176 | -55.8 | -78.7 | 0 | 0 | 0 | 113.2 | M399 F422 H426 L431 A433 E434 | M399-F436 HydrophobicContact CG-CD1 4.37Å; M399-F436 HydrophobicContact CG-CE1 3.78Å; M399-F436 HydrophobicContact CG-CZ 4.19Å; F422-F436 HydrophobicContact CE2-CE1 4.15Å; F422-F436 HydrophobicContact CE2-CZ 4.02Å; F422-F436 HydrophobicContact CZ-CE1 4.34Å; F422-F436 HydrophobicContact CZ-CZ 4.41Å; H426-F436 AromaticContact CD2-CZ 3.87Å; L431-F436 HydrophobicContact CB-CE2 3.94Å; L431-F436 HydrophobicContact CB-CZ 4.37Å; L431-F436 HydrophobicContact CD1-CE2 4.15Å; L431-F436 HydrophobicContact CD1-CZ 3.71Å; A433-F436 PolarHBondContact O-N 2.97Å; A433-F436 VanDerWaalsContact O-N 3.07Å; E434-F436 PolarHBondContact O-N 3.27Å |
| 437 | S | 82 | Confident | 80.6 | Confident | 51 Ų | 51 | 92.5 Ų | 92.5 | 36% | 0.357 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -75.6 | 136.2 | 171.1 | 56.4 | 0 | 0 | 0 | 0 | 110.5 | N400 A433 E434 I439 | N400-S437 PolarHBondContact ND2-O 2.91Å; A433-S437 PolarHBondContact O-N 3.25Å; E434-S437 PolarHBondContact O-N 3.35Å; E434-S437 PolarHBondContact O-OG 3.17Å; S437-I439 PolarHBondContact O-N 3.12Å |
| 438 | L | 65.2 | Low | 80.7 | Confident | 184 Ų | 184 | 86.9 Ų | 86.9 | 96% | 0.963 | 52% | 0.517 | S | S | * | . | trans | -63 | 105.6 | 171.1 | -69.4 | 163 | 0 | 0 | 0 | 108.8 | ||||
| 439 | I | 53 | Low | 80.6 | Confident | 191 Ų | 191 | 89.2 Ų | 89.2 | 98% | 0.979 | 52% | 0.518 | S | S | * | . | trans | -102.1 | 0 | 164.2 | -58.8 | 177.7 | 0 | 0 | 0 | 107.9 | S437 | S437-I439 PolarHBondContact O-N 3.12Š|
Retrieved 439 of 439 residues in 642.5 ms
(Link to these results)