| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.4 | Very low | 30.5 | Very low | 245 Ų | 245 | 156.7 Ų | 156.7 | 100% | 1.207 | 80% | 0.802 | S | S | * | * | 0 | 104.5 | 0 | -77.8 | -173.1 | 169.1 | 0 | 0 | 107.7 | |||||
| 2 | D | 37.2 | Very low | 30 | Very low | 162 Ų | 162 | 152.2 Ų | 152.2 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | 43.9 | 86.1 | 160.7 | -59.7 | -6.2 | 0 | 0 | 0 | 120.9 | ||||
| 3 | N | 33.5 | Very low | 29.7 | Very low | 151 Ų | 151 | 150.9 Ų | 150.9 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -83.2 | 107.5 | 160.9 | -162.9 | 9.1 | 0 | 0 | 0 | 108.7 | ||||
| 4 | K | 36.5 | Very low | 29.4 | Very low | 202 Ų | 202 | 151 Ų | 151 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | trans | -109.4 | 104.6 | 169 | -95 | -176.3 | 179 | 175.8 | 0 | 109.2 | ||||
| 5 | T | 33.2 | Very low | 29.4 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | trans | -83.6 | 108.1 | 176 | -14.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 6 | E | 30.6 | Very low | 29.2 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -77.6 | 119.9 | 163.8 | -78 | -172.6 | 148.8 | 0 | 0 | 109.1 | K8 | E6-K8 PolarHBondContact O-N 3.39Š| ||
| 7 | Q | 25.2 | Very low | 29.1 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | -82.4 | 102.3 | 166.1 | -89.7 | -179.9 | -28.6 | 0 | 0 | 109.1 | ||||
| 8 | K | 24.9 | Very low | 29.1 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -83.2 | 116.8 | 162.8 | -81.2 | 178.5 | 177.3 | 174.1 | 0 | 108.7 | E6 V10 | E6-K8 PolarHBondContact O-N 3.39Å; K8-V10 HydrophobicContact CB-CG2 4.37Å | ||
| 9 | V | 24.3 | Very low | 28.9 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -90.8 | 103.7 | 165.6 | -178.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 10 | V | 25.1 | Very low | 28.9 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 64% | 0.642 | 78% | 0.775 | S | S | * | * | trans | -100.9 | 112.8 | 173.2 | -179.2 | 0 | 0 | 0 | 0 | 106.8 | K8 T12 | K8-V10 HydrophobicContact CB-CG2 4.37Å; V10-T12 WeakPolarHBondContact CG1-OG1 3.3Å | ||
| 11 | T | 24.8 | Very low | 28.9 | Very low | 78 Ų | 78 | 146.3 Ų | 146.3 | 48% | 0.479 | 78% | 0.782 | S | S | . | * | trans | -97.7 | 98.9 | 172 | -41.9 | 0 | 0 | 0 | 0 | 108 | F13 | T11-F13 HydrophobicContact CG2-CD2 4.26Å; T11-F13 HydrophobicContact CG2-CE2 3.73Å; T11-F13 HydrophobicContact CG2-CZ 4.49Å | ||
| 12 | T | 24.4 | Very low | 28.6 | Very low | 102 Ų | 102 | 140.2 Ų | 140.2 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | trans | -100.5 | 119.3 | 175.7 | -41.7 | 0 | 0 | 0 | 0 | 108.7 | V10 | V10-T12 WeakPolarHBondContact CG1-OG1 3.3Š| ||
| 13 | F | 25.7 | Very low | 28.3 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 60% | 0.596 | 75% | 0.749 | S | S | * | * | trans | -92.8 | 108.3 | 168.1 | -79 | -90.3 | 0 | 0 | 0 | 109.1 | T11 P86 | T11-F13 HydrophobicContact CG2-CD2 4.26Å; T11-F13 HydrophobicContact CG2-CE2 3.73Å; T11-F13 HydrophobicContact CG2-CZ 4.49Å; F13-P86 HydrophobicContact CD2-CG 4.24Å; F13-P86 HydrophobicContact CE2-CG 3.64Å; F13-P86 HydrophobicContact CZ-CG 4.3Å; F13-P86 WeakPolarHBondContact CZ-O 3.37Å | ||
| 14 | L | 25.7 | Very low | 28.3 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | -98.1 | 107.5 | 163.3 | -74.4 | 166.8 | 0 | 0 | 0 | 107 | N16 | L14-N16 PolarHBondContact O-N 3.09Š| ||
| 15 | A | 29.1 | Very low | 28.2 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 92% | 0.917 | 73% | 0.732 | S | S | * | * | trans | -71.4 | 107.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 16 | N | 25.8 | Very low | 28.4 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | -101.1 | 128.7 | 174.5 | -159 | 48.8 | 0 | 0 | 0 | 109.3 | L14 | L14-N16 PolarHBondContact O-N 3.09Š| ||
| 17 | D | 27.8 | Very low | 28.7 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 62.9 | 135.5 | 161.9 | -74.4 | -40 | 0 | 0 | 0 | 122.2 | ||
| 18 | S | 28.9 | Very low | 29.6 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | trans | 90.3 | 131.8 | 158.6 | 74.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 19 | S | 26.5 | Very low | 30.3 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 78% | 0.783 | 67% | 0.666 | S | S | * | * | trans | -55 | 123.6 | -166.1 | 56.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 20 | W | 27.9 | Very low | 30.9 | Very low | 213 Ų | 213 | 120.6 Ų | 120.6 | 81% | 0.807 | 64% | 0.644 | S | S | * | * | trans | -136.1 | 118.2 | 158.8 | -63.8 | 90.6 | 0 | 0 | 0 | 108.9 | I22 | W20-I22 HydrophobicContact CB-CD1 4.39Å; W20-I22 HydrophobicContact CB-CG1 4.08Å; W20-I22 PolarHBondContact O-N 2.79Å | ||
| 21 | T | 28.8 | Very low | 31.5 | Very low | 151 Ų | 151 | 118.8 Ų | 118.8 | 93% | 0.926 | 63% | 0.634 | S | S | * | * | trans | -67.6 | 95.8 | 166.3 | 40.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 22 | I | 35.1 | Very low | 31.8 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 61% | 0.605 | 63% | 0.627 | S | S | * | * | trans | -96.9 | 107.8 | 179.3 | -64.2 | 172.5 | 0 | 0 | 0 | 108.3 | W20 F27 | W20-I22 HydrophobicContact CB-CD1 4.39Å; W20-I22 HydrophobicContact CB-CG1 4.08Å; W20-I22 PolarHBondContact O-N 2.79Å; I22-F27 HydrophobicContact CG2-CE2 4.07Å | ||
| 23 | E | 30.9 | Very low | 32 | Very low | 163 Ų | 163 | 120.7 Ų | 120.7 | 76% | 0.762 | 63% | 0.633 | S | S | * | * | trans | -78.5 | 121.9 | 174.2 | -144.4 | 178.5 | 178.9 | 0 | 0 | 110.1 | S25 | E23-S25 PolarHBondContact O-N 3.5Š| ||
| 24 | R | 33.5 | Very low | 32.4 | Very low | 233 Ų | 233 | 118.4 Ų | 118.4 | 88% | 0.879 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 39.1 | 65.1 | 157.7 | -62.5 | -176.7 | 177.1 | -174.1 | 1.1 | 118.5 | ||
| 25 | S | 33.7 | Very low | 32.3 | Very low | 67 Ų | 67 | 116.7 Ų | 116.7 | 47% | 0.469 | 63% | 0.631 | S | S | . | * | trans | -125 | 132 | 163.5 | -64.8 | 0 | 0 | 0 | 0 | 111.5 | E23 F27 | E23-S25 PolarHBondContact O-N 3.5Å; S25-F27 WeakPolarHBondContact O-CD2 3.49Å; S25-F27 PolarHBondContact O-N 3.43Å | ||
| 26 | R | 37 | Very low | 32.4 | Very low | 138 Ų | 138 | 117.3 Ų | 117.3 | 52% | 0.521 | 62% | 0.623 | S | S | . | * | trans | -70.2 | 115 | 170.7 | -71.5 | -173.4 | 176.5 | 177.5 | 0.4 | 108.7 | D210 F274 | R26-D210 IonicContact NH1-OD2 2.76Å; R26-D210 PolarHBondContact NH1-OD2 3.2Å; R26-F274 VanDerWaalsContact CA-CE1 3.5Å; R26-F274 HydrophobicContact CB-CE1 4.25Å; R26-F274 HydrophobicContact CB-CE2 3.96Å; R26-F274 HydrophobicContact CB-CZ 3.58Å; R26-F274 HydrophobicContact CG-CD2 4.27Å; R26-F274 HydrophobicContact CG-CE1 4.4Å; R26-F274 HydrophobicContact CG-CE2 3.66Å; R26-F274 HydrophobicContact CG-CZ 3.76Å | ||
| 27 | F | 38 | Very low | 32.5 | Very low | 106 Ų | 106 | 117.3 Ų | 117.3 | 47% | 0.465 | 63% | 0.628 | S | S | . | * | trans | -97.6 | 126.5 | 170.2 | -71.5 | -87.5 | 0 | 0 | 0 | 109.6 | I22 S25 F89 | I22-F27 HydrophobicContact CG2-CE2 4.07Å; S25-F27 WeakPolarHBondContact O-CD2 3.49Å; S25-F27 PolarHBondContact O-N 3.43Å; F27-F89 AromaticContact CD1-CD1 3.76Å; F27-F89 HydrophobicContact CD1-CD1 3.76Å; F27-F89 AromaticContact CD1-CE1 3.75Å; F27-F89 HydrophobicContact CD1-CE1 3.75Å; F27-F89 HydrophobicContact CE1-CD1 4.05Å; F27-F89 HydrophobicContact CE1-CE1 4.34Å | ||
| 28 | I | 43.5 | Very low | 32.6 | Very low | 46 Ų | 46 | 116.5 Ų | 116.5 | 24% | 0.236 | 63% | 0.633 | C | S | . | * | trans | -123.7 | 108.4 | 174.4 | -52.4 | -177.6 | 0 | 0 | 0 | 107.1 | I30 F89 W245 | I28-I30 HydrophobicContact CG2-CG1 4.14Å; I28-F89 WeakPolarHBondContact O-CZ 3.5Å; I28-W245 HydrophobicContact CD1-CH2 3.19Å; I28-W245 HydrophobicContact CD1-CZ2 3.56Å; I28-W245 HydrophobicContact CD1-CZ3 3.76Å; I28-W245 HydrophobicContact CG1-CH2 4.29Å; I28-W245 HydrophobicContact CG2-CH2 3.77Å; I28-W245 HydrophobicContact CG2-CZ3 3.79Å | ||
| 29 | A | 38.9 | Very low | 32.8 | Very low | 68 Ų | 68 | 116.5 Ų | 116.5 | 56% | 0.562 | 64% | 0.639 | S | S | * | * | trans | -92.1 | 103.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | T31 | A29-T31 PolarHBondContact O-N 3Š| ||
| 30 | I | 37.9 | Very low | 33.1 | Very low | 61 Ų | 61 | 118.1 Ų | 118.1 | 31% | 0.313 | 64% | 0.644 | S | S | . | * | trans | -83.7 | 112.4 | 173 | -55.8 | 176.3 | 0 | 0 | 0 | 107.5 | I28 F32 | I28-I30 HydrophobicContact CG2-CG1 4.14Å; I30-F32 HydrophobicContact CG2-CD2 4.37Å; I30-F32 HydrophobicContact CG2-CE1 4Å; I30-F32 HydrophobicContact CG2-CE2 3.77Å; I30-F32 HydrophobicContact CG2-CZ 3.57Å | ||
| 31 | T | 37.2 | Very low | 33.5 | Very low | 68 Ų | 68 | 114.9 Ų | 114.9 | 42% | 0.417 | 65% | 0.649 | S | S | . | * | trans | -108.7 | 122.3 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 108.9 | A29 | A29-T31 PolarHBondContact O-N 3Š| ||
| 32 | F | 31.6 | Very low | 33.8 | Very low | 77 Ų | 77 | 112.3 Ų | 112.3 | 34% | 0.338 | 64% | 0.637 | S | S | . | * | trans | -91.4 | 125.2 | -178.3 | -63.4 | -84.3 | 0 | 0 | 0 | 111.4 | I30 T34 I84 | I30-F32 HydrophobicContact CG2-CD2 4.37Å; I30-F32 HydrophobicContact CG2-CE1 4Å; I30-F32 HydrophobicContact CG2-CE2 3.77Å; I30-F32 HydrophobicContact CG2-CZ 3.57Å; F32-T34 HydrophobicContact CB-CG2 4.42Å; F32-I84 HydrophobicContact CE2-CB 4.46Å; F32-I84 HydrophobicContact CE2-CD1 4.26Å; F32-I84 HydrophobicContact CZ-CD1 4.45Å | ||
| 33 | L | 29.3 | Very low | 33.6 | Very low | 143 Ų | 143 | 118.5 Ų | 118.5 | 75% | 0.749 | 65% | 0.652 | S | S | * | * | trans | -110.5 | 92.3 | 161.3 | -78.2 | 164.1 | 0 | 0 | 0 | 107.2 | ||||
| 34 | T | 32.5 | Very low | 33.9 | Very low | 89 Ų | 89 | 116 Ų | 116 | 55% | 0.546 | 65% | 0.648 | S | S | . | * | trans | -101.8 | 115.6 | 179.5 | 51.8 | 0 | 0 | 0 | 0 | 111.3 | F32 | F32-T34 HydrophobicContact CB-CG2 4.42Š| ||
| 35 | S | 25.5 | Very low | 34.1 | Very low | 116 Ų | 116 | 112.4 Ų | 112.4 | 81% | 0.811 | 65% | 0.646 | S | S | * | * | trans | -87 | 109.5 | 151.1 | 58.5 | 0 | 0 | 0 | 0 | 107.8 | T37 | S35-T37 PolarHBondContact O-N 3.22Š| ||
| 36 | V | 29.6 | Very low | 34.2 | Very low | 124 Ų | 124 | 111.3 Ų | 111.3 | 75% | 0.752 | 64% | 0.638 | S | S | * | * | trans | -87.2 | 113.3 | -178.6 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 37 | T | 28.2 | Very low | 34.5 | Very low | 135 Ų | 135 | 111.4 Ų | 111.4 | 83% | 0.828 | 65% | 0.645 | S | S | * | * | trans | -101.3 | 119.3 | 157.1 | 43.5 | 0 | 0 | 0 | 0 | 108 | S35 | S35-T37 PolarHBondContact O-N 3.22Š| ||
| 38 | S | 30.2 | Very low | 34.5 | Very low | 119 Ų | 119 | 107.7 Ų | 107.7 | 83% | 0.832 | 63% | 0.631 | S | S | * | * | trans | -72.1 | 129.5 | -176.2 | 43.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 39 | A | 33.1 | Very low | 34.3 | Very low | 100 Ų | 100 | 108.7 Ų | 108.7 | 83% | 0.826 | 64% | 0.637 | S | S | * | * | trans | -119.5 | 141.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 40 | T | 32.3 | Very low | 34.4 | Very low | 145 Ų | 145 | 108 Ų | 108 | 89% | 0.89 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 136.7 | -167.7 | 29 | 0 | 0 | 0 | 0 | 114.4 | ||
| 41 | T | 36.7 | Very low | 34.6 | Very low | 146 Ų | 146 | 108.4 Ų | 108.4 | 90% | 0.896 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 125 | 173.9 | 34.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 42 | S | 35.4 | Very low | 34.7 | Very low | 96 Ų | 96 | 112.3 Ų | 112.3 | 67% | 0.671 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 120.1 | 163.9 | 173 | 0 | 0 | 0 | 0 | 109.7 | T44 | S42-T44 PolarHBondContact O-N 3.32Å; S42-T44 VanDerWaalsContact O-N 3.15Å |
| 43 | R | 30.7 | Very low | 35.1 | Very low | 249 Ų | 249 | 119 Ų | 119 | 94% | 0.94 | 67% | 0.668 | S | S | * | * | trans | -66.7 | 104.5 | 169 | -87.8 | -178 | 176.7 | 173.5 | -1.1 | 108.8 | ||||
| 44 | T | 36.4 | Very low | 35.3 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 67% | 0.669 | 67% | 0.672 | S | S | * | * | trans | -135.6 | 135.3 | 160.4 | 43.2 | 0 | 0 | 0 | 0 | 107.7 | S42 C46 | S42-T44 PolarHBondContact O-N 3.32Å; S42-T44 VanDerWaalsContact O-N 3.15Å; T44-C46 PolarHBondContact O-N 3.43Å | ||
| 45 | N | 37.5 | Very low | 35.4 | Very low | 158 Ų | 158 | 127.2 Ų | 127.2 | 85% | 0.845 | 69% | 0.687 | S | S | * | * | trans | -43.5 | 139.1 | 170.6 | -78.1 | -18.3 | 0 | 0 | 0 | 108.8 | H47 | N45-H47 PolarHBondContact O-N 2.75Š| ||
| 46 | C | 37.4 | Very low | 36 | Very low | 44 Ų | 44 | 130.2 Ų | 130.2 | 30% | 0.297 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -65.7 | 70.1 | -177.5 | -70.3 | 0 | 0 | 0 | 0 | 111.5 | T44 | T44-C46 PolarHBondContact O-N 3.43Š|
| 47 | H | 41.9 | Very low | 36 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 65% | 0.653 | 69% | 0.688 | S | S | * | * | trans | -91.8 | 92.5 | 153.4 | -106.8 | -44.4 | 0 | 0 | 0 | 105.8 | N45 N49 | N45-H47 PolarHBondContact O-N 2.75Å; H47-N49 PolarHBondContact O-N 3.4Å | ||
| 48 | C | 38.4 | Very low | 36.3 | Very low | 27 Ų | 27 | 131 Ų | 131 | 18% | 0.182 | 68% | 0.68 | C | S | . | * | trans | -66 | 87.2 | 161.9 | -58.5 | 0 | 0 | 0 | 0 | 107 | P50 C293 A303 | C48-P50 WeakPolarHBondContact O-CD 3.06Å; C48-C293 PolarHBondContact SG-SG 2.96Å; C48-A303 HydrophobicContact CB-CB 4.43Å | ||
| 49 | N | 39.5 | Very low | 36.2 | Very low | 67 Ų | 67 | 132.4 Ų | 132.4 | 36% | 0.358 | 68% | 0.678 | S | S | . | * | trans | -99.5 | 78.6 | 161.4 | -152.7 | 7.9 | 0 | 0 | 0 | 107.5 | H47 V51 E52 | H47-N49 PolarHBondContact O-N 3.4Å; N49-V51 PolarHBondContact O-N 2.96Å; N49-E52 PolarHBondContact ND2-OE2 3.25Å; N49-E52 PolarHBondContact O-N 2.99Å | ||
| 50 | P | 41.4 | Very low | 36.1 | Very low | 55 Ų | 55 | 139 Ų | 139 | 36% | 0.357 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.9 | 1.4 | -179.1 | 29 | -35.3 | 0 | 0 | 0 | 112.8 | C48 P214 | C48-P50 WeakPolarHBondContact O-CD 3.06Å; P50-P214 HydrophobicContact CG-CB 4.38Å; P50-P214 HydrophobicContact CG-CG 4.2Å |
| 51 | V | 41.6 | Very low | 35.8 | Very low | 68 Ų | 68 | 141 Ų | 141 | 41% | 0.412 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.4 | -9.7 | -175 | -175 | 0 | 0 | 0 | 0 | 112.4 | N49 P214 | N49-V51 PolarHBondContact O-N 2.96Å; V51-P214 HydrophobicContact CG2-CG 4.23Å |
| 52 | E | 39.4 | Very low | 35.3 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | trans | -105.6 | -3.7 | -171.3 | -149 | 160.7 | -162.5 | 0 | 0 | 115.1 | N49 R54 | N49-E52 PolarHBondContact ND2-OE2 3.25Å; N49-E52 PolarHBondContact O-N 2.99Å; E52-R54 VanDerWaalsContact C-N 3.31Å; E52-R54 PolarHBondContact O-N 3.45Å; E52-R54 VanDerWaalsContact O-N 3.13Å | ||
| 53 | R | 39.5 | Very low | 34.9 | Very low | 218 Ų | 218 | 146.8 Ų | 146.8 | 82% | 0.823 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -84.1 | 84 | 158.9 | -74.8 | -169.2 | -168.2 | -179.4 | 6.5 | 108.8 | ||
| 54 | R | 34.7 | Very low | 34.6 | Very low | 220 Ų | 220 | 142.5 Ų | 142.5 | 83% | 0.83 | 69% | 0.685 | S | S | * | * | trans | 20.9 | 129.6 | 159.3 | -56.9 | -174.7 | -152.5 | 179.4 | 6.9 | 117.1 | E52 F56 | E52-R54 VanDerWaalsContact C-N 3.31Å; E52-R54 PolarHBondContact O-N 3.45Å; E52-R54 VanDerWaalsContact O-N 3.13Å; R54-F56 PolarHBondContact O-N 3.02Å | ||
| 55 | H | 33.9 | Very low | 34.1 | Very low | 184 Ų | 184 | 143.5 Ų | 143.5 | 85% | 0.852 | 70% | 0.695 | S | S | * | * | trans | -15 | 108 | 151.2 | -77.2 | -5.5 | 0 | 0 | 0 | 112.7 | D57 | H55-D57 PolarHBondContact O-N 3.24Š| ||
| 56 | F | 38.4 | Very low | 33.5 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 79% | 0.789 | 69% | 0.688 | S | S | * | * | trans | -70.9 | 86.5 | 159.8 | -92.3 | -84.5 | 0 | 0 | 0 | 106.8 | R54 L58 | R54-F56 PolarHBondContact O-N 3.02Å; F56-L58 HydrophobicContact CB-CD1 4.41Å; F56-L58 HydrophobicContact CD1-CD1 4.26Å; F56-L58 HydrophobicContact CD1-CG 4.4Å; F56-L58 PolarHBondContact O-N 2.95Å | ||
| 57 | D | 30.3 | Very low | 32.9 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 80% | 0.802 | 72% | 0.718 | S | S | * | * | trans | -61.8 | 89.1 | 156.6 | -118.7 | -20.2 | 0 | 0 | 0 | 106.7 | H55 | H55-D57 PolarHBondContact O-N 3.24Š| ||
| 58 | L | 34 | Very low | 32.2 | Very low | 126 Ų | 126 | 148 Ų | 148 | 66% | 0.66 | 72% | 0.724 | S | S | * | * | trans | -100.6 | 70 | 169.3 | -86.9 | 163.1 | 0 | 0 | 0 | 108 | F56 | F56-L58 HydrophobicContact CB-CD1 4.41Å; F56-L58 HydrophobicContact CD1-CD1 4.26Å; F56-L58 HydrophobicContact CD1-CG 4.4Å; F56-L58 PolarHBondContact O-N 2.95Å | ||
| 59 | D | 28.4 | Very low | 31.7 | Very low | 147 Ų | 147 | 153.5 Ų | 153.5 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | -152.6 | 65.5 | 166 | -117.7 | -11.8 | 0 | 0 | 0 | 109.6 | ||||
| 60 | R | 29.8 | Very low | 31.1 | Very low | 239 Ų | 239 | 158.7 Ų | 158.7 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -167.8 | 112.3 | 158.3 | -119.3 | 164.2 | -176.9 | 168.1 | 0.6 | 115.3 | ||||
| 61 | K | 26.7 | Very low | 30.5 | Very low | 187 Ų | 187 | 160.5 Ų | 160.5 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | 19.5 | 128.4 | 134.5 | -70.2 | -179.7 | 173.3 | -177.7 | 0 | 118.3 | ||||
| 62 | E | 26.2 | Very low | 29.7 | Very low | 186 Ų | 186 | 162.8 Ų | 162.8 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | 18.8 | 112.9 | 142 | -66.8 | -173.5 | 133.7 | 0 | 0 | 116.9 | ||||
| 63 | L | 27.6 | Very low | 29.1 | Very low | 177 Ų | 177 | 163.8 Ų | 163.8 | 93% | 0.927 | 82% | 0.824 | S | S | * | * | trans | -155.5 | 117.5 | 146.8 | -102.9 | 132.2 | 0 | 0 | 0 | 111.1 | ||||
| 64 | N | 23.8 | Very low | 28.6 | Very low | 160 Ų | 160 | 159.6 Ų | 159.6 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | trans | -50.4 | 136.4 | 167.8 | -80.8 | -41.3 | 0 | 0 | 0 | 113.1 | ||||
| 65 | C | 25.6 | Very low | 28.1 | Very low | 130 Ų | 130 | 155.9 Ų | 155.9 | 88% | 0.878 | 83% | 0.825 | S | S | * | * | trans | -168.7 | 114.8 | 147.4 | -96.8 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 66 | G | 24.5 | Very low | 27.7 | Very low | 67 Ų | 67 | 152.4 Ų | 152.4 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | cis | 82.3 | 67.4 | 25.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 67 | Q | 26.3 | Very low | 27.1 | Very low | 201 Ų | 201 | 153.6 Ų | 153.6 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | trans | 169.3 | 126.1 | 133 | -96.3 | 177.4 | -28.9 | 0 | 0 | 112.5 | ||||
| 68 | Q | 25.8 | Very low | 26.9 | Very low | 168 Ų | 168 | 157.3 Ų | 157.3 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | -67.5 | 141.9 | 168.9 | -73.7 | 172.5 | -39.3 | 0 | 0 | 111.3 | ||||
| 69 | V | 27.6 | Very low | 26.5 | Very low | 144 Ų | 144 | 158.1 Ų | 158.1 | 87% | 0.873 | 83% | 0.833 | S | S | * | * | trans | -131.7 | 111.2 | 146 | -179.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 70 | Q | 27.4 | Very low | 26.5 | Very low | 176 Ų | 176 | 157.7 Ų | 157.7 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -75.2 | 135.1 | 169.6 | -90.8 | 161.7 | -39.2 | 0 | 0 | 110.2 | ||||
| 71 | A | 28.6 | Very low | 26.5 | Very low | 93 Ų | 93 | 152.5 Ų | 152.5 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | -145.2 | 152.5 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 72 | P | 26.2 | Very low | 26.7 | Very low | 115 Ų | 115 | 149 Ų | 149 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | trans | -88.3 | 153.7 | -133.4 | 32.4 | -35.5 | 0 | 0 | 0 | 115.2 | T74 | P72-T74 PolarHBondContact O-N 3.32Å; P72-T74 VanDerWaalsContact O-N 3.17Å | ||
| 73 | L | 25.6 | Very low | 26.7 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | -48.9 | 113.8 | 168.1 | -78.4 | 84.5 | 0 | 0 | 0 | 110.9 | ||||
| 74 | T | 28.9 | Very low | 27 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -128.4 | 112.2 | 151.9 | 43.6 | 0 | 0 | 0 | 0 | 108.8 | P72 S76 | P72-T74 PolarHBondContact O-N 3.32Å; P72-T74 VanDerWaalsContact O-N 3.17Å; T74-S76 PolarHBondContact O-N 2.97Å | ||
| 75 | T | 24.6 | Very low | 27.3 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 87% | 0.871 | 75% | 0.749 | S | S | * | * | trans | -59.4 | 107.7 | 175.5 | 30.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 76 | S | 26.4 | Very low | 27.6 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -131.2 | 89.8 | 156.3 | -170.6 | 0 | 0 | 0 | 0 | 108.6 | T74 R78 | T74-S76 PolarHBondContact O-N 2.97Å; S76-R78 PolarHBondContact O-N 3.47Å | ||
| 77 | K | 24.7 | Very low | 27.8 | Very low | 205 Ų | 205 | 131.8 Ų | 131.8 | 89% | 0.891 | 72% | 0.716 | S | S | * | * | trans | -72 | 101 | 168.3 | -80.8 | 178.5 | 172.3 | -179.9 | 0 | 108.1 | ||||
| 78 | R | 26.9 | Very low | 28.3 | Very low | 228 Ų | 228 | 131.7 Ų | 131.7 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | trans | -138.1 | 101.9 | 156.3 | -76.7 | -163.5 | -179.7 | -172.1 | 0.5 | 110.4 | S76 | S76-R78 PolarHBondContact O-N 3.47Š| ||
| 79 | L | 26 | Very low | 28.5 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | trans | -12.4 | 112.4 | 158.5 | -70.5 | 146.9 | 0 | 0 | 0 | 115.4 | D81 | L79-D81 HydrophobicContact CD2-CB 4.28Å; L79-D81 WeakPolarHBondContact CD2-OD2 3.25Å | ||
| 80 | L | 28 | Very low | 28.6 | Very low | 137 Ų | 137 | 129 Ų | 129 | 72% | 0.717 | 69% | 0.688 | S | S | * | * | trans | -106.9 | 68.5 | 147 | -102 | 150.3 | 0 | 0 | 0 | 106.1 | F82 | L80-F82 HydrophobicContact CD2-CD2 3.5Å; L80-F82 HydrophobicContact CD2-CE2 3.25Å; L80-F82 HydrophobicContact CD2-CZ 4.35Å; L80-F82 PolarHBondContact O-N 2.96Å | ||
| 81 | D | 28.6 | Very low | 28.6 | Very low | 131 Ų | 131 | 126 Ų | 126 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | trans | -76.2 | 83.4 | 165.4 | -80.4 | -3.8 | 0 | 0 | 0 | 106.9 | L79 A83 | L79-D81 HydrophobicContact CD2-CB 4.28Å; L79-D81 WeakPolarHBondContact CD2-OD2 3.25Å; D81-A83 PolarHBondContact O-N 3.37Å | ||
| 82 | F | 31.3 | Very low | 28.8 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 50% | 0.5 | 69% | 0.689 | S | S | . | * | trans | -74.3 | 73.8 | 155.7 | -87.1 | -74.1 | 0 | 0 | 0 | 107.6 | L80 I84 L294 | L80-F82 HydrophobicContact CD2-CD2 3.5Å; L80-F82 HydrophobicContact CD2-CE2 3.25Å; L80-F82 HydrophobicContact CD2-CZ 4.35Å; L80-F82 PolarHBondContact O-N 2.96Å; F82-I84 PolarHBondContact O-N 3.01Å; F82-L294 HydrophobicContact CZ-CD1 3.98Å | ||
| 83 | A | 26.9 | Very low | 28.8 | Very low | 69 Ų | 69 | 127 Ų | 127 | 57% | 0.57 | 69% | 0.69 | S | S | * | * | trans | -71.7 | 86.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | D81 T85 | D81-A83 PolarHBondContact O-N 3.37Å; A83-T85 HydrophobicContact CB-CG2 4.2Å; A83-T85 PolarHBondContact O-N 2.8Å | ||
| 84 | I | 33.9 | Very low | 29.3 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 48% | 0.482 | 69% | 0.689 | S | S | . | * | trans | -70 | 72.4 | 148.2 | -52.9 | 176.6 | 0 | 0 | 0 | 104.4 | F32 F82 P86 | F32-I84 HydrophobicContact CE2-CB 4.46Å; F32-I84 HydrophobicContact CE2-CD1 4.26Å; F32-I84 HydrophobicContact CZ-CD1 4.45Å; F82-I84 PolarHBondContact O-N 3.01Å; I84-P86 VanDerWaalsContact O-CD 3.3Å; I84-P86 WeakPolarHBondContact O-CD 3.44Å | ||
| 85 | T | 29.3 | Very low | 29.6 | Very low | 68 Ų | 68 | 131.6 Ų | 131.6 | 42% | 0.417 | 69% | 0.688 | S | S | . | * | trans | -62.4 | 121.7 | 170.1 | 26.1 | 0 | 0 | 0 | 0 | 106.1 | A83 S87 W88 | A83-T85 HydrophobicContact CB-CG2 4.2Å; A83-T85 PolarHBondContact O-N 2.8Å; T85-S87 PolarHBondContact O-N 3.41Å; T85-W88 PolarHBondContact O-NE1 2.95Å; T85-W88 VanDerWaalsContact O-NE1 3.15Å | ||
| 86 | P | 32.6 | Very low | 29.9 | Very low | 44 Ų | 44 | 130.3 Ų | 130.3 | 29% | 0.286 | 68% | 0.682 | S | S | . | * | trans | -79.2 | 61.4 | 174.6 | 32.3 | -29.9 | 0 | 0 | 0 | 108.9 | F13 I84 W88 F89 | F13-P86 HydrophobicContact CD2-CG 4.24Å; F13-P86 HydrophobicContact CE2-CG 3.64Å; F13-P86 HydrophobicContact CZ-CG 4.3Å; F13-P86 WeakPolarHBondContact CZ-O 3.37Å; I84-P86 VanDerWaalsContact O-CD 3.3Å; I84-P86 WeakPolarHBondContact O-CD 3.44Å; P86-W88 PolarHBondContact O-N 2.99Å; P86-F89 HydrophobicContact CB-CD2 4.44Å | ||
| 87 | S | 29.4 | Very low | 30.6 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 57% | 0.573 | 69% | 0.689 | S | S | * | * | trans | -78.8 | 4 | 163.4 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | T85 | T85-S87 PolarHBondContact O-N 3.41Š| ||
| 88 | W | 35.1 | Very low | 31.3 | Very low | 199 Ų | 199 | 126.9 Ų | 126.9 | 75% | 0.754 | 68% | 0.681 | S | S | * | * | trans | -102.8 | 3 | -163.2 | -53.6 | 74.7 | 0 | 0 | 0 | 113.8 | T85 P86 N90 | T85-W88 PolarHBondContact O-NE1 2.95Å; T85-W88 VanDerWaalsContact O-NE1 3.15Å; P86-W88 PolarHBondContact O-N 2.99Å; W88-N90 PolarHBondContact O-N 2.97Å | ||
| 89 | F | 31.7 | Very low | 31.8 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 44% | 0.443 | 68% | 0.681 | S | S | . | * | trans | -89 | 13.1 | -170.1 | -105.8 | -78.3 | 0 | 0 | 0 | 115.9 | F27 I28 P86 | F27-F89 AromaticContact CD1-CD1 3.76Å; F27-F89 HydrophobicContact CD1-CD1 3.76Å; F27-F89 AromaticContact CD1-CE1 3.75Å; F27-F89 HydrophobicContact CD1-CE1 3.75Å; F27-F89 HydrophobicContact CE1-CD1 4.05Å; F27-F89 HydrophobicContact CE1-CE1 4.34Å; I28-F89 WeakPolarHBondContact O-CZ 3.5Å; P86-F89 HydrophobicContact CB-CD2 4.44Å | ||
| 90 | N | 28.8 | Very low | 32.5 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 83% | 0.829 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -106.1 | 8.3 | -168.1 | -82 | -9.7 | 0 | 0 | 0 | 117.3 | W88 | W88-N90 PolarHBondContact O-N 2.97Š|
| 91 | S | 27.5 | Very low | 32.8 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 78% | 0.783 | 69% | 0.694 | S | S | * | * | trans | -146.7 | 80.4 | -177.3 | -82.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 92 | V | 32.7 | Very low | 33.1 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | trans | -148.4 | 97.2 | 148.4 | -171.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 93 | A | 26.9 | Very low | 33.1 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | -118.5 | 122.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 94 | R | 34.8 | Very low | 33.5 | Very low | 231 Ų | 231 | 134.7 Ų | 134.7 | 87% | 0.872 | 73% | 0.73 | S | S | * | * | trans | -160.3 | 112.5 | 162.6 | -115.4 | 176.4 | -141.4 | 171.9 | 6.3 | 114.2 | ||||
| 95 | E | 36.2 | Very low | 33.6 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | 39.9 | 124.2 | 136.3 | -62.5 | -172.6 | 148.4 | 0 | 0 | 120.9 | ||||
| 96 | P | 29.6 | Very low | 33.7 | Very low | 115 Ų | 115 | 141 Ų | 141 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | trans | -100 | 117.5 | 166.6 | 35.2 | -23.5 | 0 | 0 | 0 | 110.8 | ||||
| 97 | L | 42.4 | Very low | 33.8 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | -154.8 | 129 | 155.9 | -87.7 | 113.6 | 0 | 0 | 0 | 105.5 | ||||
| 98 | G | 38.7 | Very low | 34.2 | Very low | 71 Ų | 71 | 146 Ų | 146 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | cis | 135.6 | 127.8 | 35.6 | 0 | 0 | 0 | 0 | 0 | 103.9 | D100 | G98-D100 PolarHBondContact O-N 3.33Š| ||
| 99 | D | 36.9 | Very low | 34.6 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -52.2 | 127.2 | -170.7 | -69.6 | -57.4 | 0 | 0 | 0 | 113.2 | ||||
| 100 | D | 41.3 | Very low | 35.1 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -156.5 | 133.2 | 144.9 | -101.2 | -31.7 | 0 | 0 | 0 | 113 | G98 | G98-D100 PolarHBondContact O-N 3.33Š| ||
| 101 | K | 34.4 | Very low | 36 | Very low | 195 Ų | 195 | 141.8 Ų | 141.8 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | -66.7 | 130.5 | 178.9 | -69.6 | 169.6 | 175.9 | 173.7 | 0 | 110.2 | ||||
| 102 | L | 35.3 | Very low | 37.2 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -150.7 | 117.3 | 152.9 | -136.8 | 82.9 | 0 | 0 | 0 | 111.7 | ||||
| 103 | L | 30.4 | Very low | 38.1 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | trans | -65.2 | 128.8 | 163.2 | -85.3 | 89.2 | 0 | 0 | 0 | 109.5 | ||||
| 104 | V | 35.3 | Very low | 39 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -154.1 | 139.5 | 143.7 | -173.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 105 | H | 35.4 | Very low | 40 | Very low | 173 Ų | 173 | 130.4 Ų | 130.4 | 80% | 0.801 | 74% | 0.741 | S | S | * | * | trans | -38 | 161.4 | -177.4 | -76.1 | -86.5 | 0 | 0 | 0 | 122.1 | ||||
| 106 | P | 31.9 | Very low | 41 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | trans | -85.6 | 118.1 | 173.1 | 34.7 | -27.9 | 0 | 0 | 0 | 110.7 | ||||
| 107 | A | 34.3 | Very low | 42.2 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -160.9 | 100.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 108 | N | 39.2 | Very low | 43.4 | Very low | 142 Ų | 142 | 128 Ų | 128 | 76% | 0.759 | 71% | 0.712 | S | S | * | * | trans | -171.1 | 61.9 | 153.6 | -99.7 | -14.3 | 0 | 0 | 0 | 110.4 | ||||
| 109 | Q | 43.5 | Very low | 44.6 | Very low | 204 Ų | 204 | 129.5 Ų | 129.5 | 95% | 0.953 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -118.2 | 95.4 | 159.6 | -76.3 | -178.3 | -8 | 0 | 0 | 106.1 | ||
| 110 | G | 41.9 | Very low | 46.2 | Very low | 60 Ų | 60 | 127.1 Ų | 127.1 | 62% | 0.619 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 169.4 | -14.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 111 | I | 48.4 | Very low | 47.6 | Very low | 102 Ų | 102 | 121.6 Ų | 121.6 | 52% | 0.523 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -87 | -23.1 | -171.9 | -55.7 | 177.2 | 0 | 0 | 0 | 112.7 | S113 C114 | I111-S113 PolarHBondContact O-N 2.93Å; I111-C114 WeakPolarHBondContact O-CB 3.49Å; I111-C114 PolarHBondContact O-N 3.14Å; I111-C114 VanDerWaalsContact O-N 3.08Å |
| 112 | D | 51.6 | Low | 49.5 | Very low | 87 Ų | 87 | 118.5 Ų | 118.5 | 47% | 0.465 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69 | -32.4 | -173.5 | -79.1 | -15.9 | 0 | 0 | 0 | 113.7 | C114 K221 | D112-C114 VanDerWaalsContact C-N 3.33Å; D112-K221 IonicContact OD2-NZ 3.94Å; D112-K221 PolarHBondContact OD2-NZ 3.47Å |
| 113 | S | 50.9 | Low | 51.3 | Low | 76 Ų | 76 | 113 Ų | 113 | 53% | 0.531 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.5 | -33.9 | 172.2 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | I111 V115 Q116 Y117 | I111-S113 PolarHBondContact O-N 2.93Å; S113-V115 VanDerWaalsContact C-N 3.35Å; S113-V115 PolarHBondContact O-N 2.82Å; S113-Q116 PolarHBondContact O-N 3.46Å; S113-Y117 WeakPolarHBondContact O-CB 3.3Å; S113-Y117 WeakPolarHBondContact O-CD2 3.39Å; S113-Y117 PolarHBondContact O-N 2.9Å |
| 114 | C | 46.1 | Very low | 53.5 | Low | 71 Ų | 71 | 106.9 Ų | 106.9 | 48% | 0.48 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.9 | -34.9 | -172.3 | -157.5 | 0 | 0 | 0 | 0 | 112.7 | I111 D112 L118 | I111-C114 WeakPolarHBondContact O-CB 3.49Å; I111-C114 PolarHBondContact O-N 3.14Å; I111-C114 VanDerWaalsContact O-N 3.08Å; D112-C114 VanDerWaalsContact C-N 3.33Å; C114-L118 WeakPolarHBondContact O-CB 3.27Å; C114-L118 PolarHBondContact O-N 3.39Å |
| 115 | V | 57.1 | Low | 55.6 | Low | 100 Ų | 100 | 105.5 Ų | 105.5 | 61% | 0.606 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -73.5 | -39.8 | 179.6 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | S113 L118 F119 | S113-V115 VanDerWaalsContact C-N 3.35Å; S113-V115 PolarHBondContact O-N 2.82Å; V115-L118 PolarHBondContact O-N 3.29Å; V115-F119 PolarHBondContact O-N 3.38Å |
| 116 | Q | 55.8 | Low | 57.6 | Low | 141 Ų | 141 | 101 Ų | 101 | 66% | 0.659 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69 | -39 | 177.2 | -161.4 | 165.8 | -2.8 | 0 | 0 | 111.3 | S113 F119 L120 | S113-Q116 PolarHBondContact O-N 3.46Å; Q116-F119 PolarHBondContact O-N 3.35Å; Q116-L120 WeakPolarHBondContact O-CG 3.43Å; Q116-L120 PolarHBondContact O-N 3.03Å |
| 117 | Y | 56.5 | Low | 59.7 | Low | 170 Ų | 170 | 99.4 Ų | 99.4 | 67% | 0.667 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.4 | -39.8 | 170.2 | -85 | -72.5 | 0 | 0 | 0 | 112.2 | S113 F119 L120 A121 | S113-Y117 WeakPolarHBondContact O-CB 3.3Å; S113-Y117 WeakPolarHBondContact O-CD2 3.39Å; S113-Y117 PolarHBondContact O-N 2.9Å; Y117-F119 VanDerWaalsContact C-N 3.32Å; Y117-F119 PolarHBondContact O-N 3.48Å; Y117-L120 PolarHBondContact O-N 2.88Å; Y117-A121 WeakPolarHBondContact O-CB 3.47Å; Y117-A121 PolarHBondContact O-N 3.23Å |
| 118 | L | 66.8 | Low | 61.8 | Low | 95 Ų | 95 | 102.6 Ų | 102.6 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 176.5 | -123.8 | 91.1 | 0 | 0 | 0 | 112 | C114 V115 K122 | C114-L118 WeakPolarHBondContact O-CB 3.27Å; C114-L118 PolarHBondContact O-N 3.39Å; V115-L118 PolarHBondContact O-N 3.29Å; L118-K122 WeakPolarHBondContact O-CB 3.08Å; L118-K122 WeakPolarHBondContact O-CG 3.39Å; L118-K122 PolarHBondContact O-N 3.26Å |
| 119 | F | 63.6 | Low | 63.8 | Low | 102 Ų | 102 | 100.4 Ų | 100.4 | 45% | 0.447 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.2 | -48 | 178.6 | -170.8 | -95 | 0 | 0 | 0 | 111.4 | V115 Q116 Y117 A121 K122 Q123 | V115-F119 PolarHBondContact O-N 3.38Å; Q116-F119 PolarHBondContact O-N 3.35Å; Y117-F119 VanDerWaalsContact C-N 3.32Å; Y117-F119 PolarHBondContact O-N 3.48Å; F119-A121 VanDerWaalsContact C-N 3.32Å; F119-A121 PolarHBondContact O-N 2.93Å; F119-K122 PolarHBondContact O-N 3.37Å; F119-Q123 PolarHBondContact O-N 2.92Å |
| 120 | L | 69.9 | Low | 65.6 | Low | 110 Ų | 110 | 92.6 Ų | 92.6 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.4 | -39 | 175.9 | -69.3 | 173.9 | 0 | 0 | 0 | 111.9 | Q116 Y117 Q123 G124 | Q116-L120 WeakPolarHBondContact O-CG 3.43Å; Q116-L120 PolarHBondContact O-N 3.03Å; Y117-L120 PolarHBondContact O-N 2.88Å; L120-Q123 PolarHBondContact O-N 3.43Å; L120-G124 PolarHBondContact O-N 3.42Å |
| 121 | A | 71.2 | Confident | 67.5 | Low | 52 Ų | 52 | 93.9 Ų | 93.9 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y117 F119 G124 I125 | Y117-A121 WeakPolarHBondContact O-CB 3.47Å; Y117-A121 PolarHBondContact O-N 3.23Å; F119-A121 VanDerWaalsContact C-N 3.32Å; F119-A121 PolarHBondContact O-N 2.93Å; A121-G124 PolarHBondContact O-N 3.03Å; A121-I125 VanDerWaalsContact O-CG1 3.27Å; A121-I125 WeakPolarHBondContact O-CG1 3.28Å; A121-I125 PolarHBondContact O-N 3.48Å |
| 122 | K | 73.8 | Confident | 69.2 | Low | 130 Ų | 130 | 93.4 Ų | 93.4 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.1 | -43.7 | 175.8 | -79.6 | -177.9 | 177.3 | -175.2 | 0 | 111.8 | L118 F119 I125 I126 | L118-K122 WeakPolarHBondContact O-CB 3.08Å; L118-K122 WeakPolarHBondContact O-CG 3.39Å; L118-K122 PolarHBondContact O-N 3.26Å; F119-K122 PolarHBondContact O-N 3.37Å; K122-I125 PolarHBondContact O-N 3.06Å; K122-I126 WeakPolarHBondContact O-CG1 3.29Å; K122-I126 PolarHBondContact O-N 3.28Å |
| 123 | Q | 73.9 | Confident | 70.6 | Confident | 51 Ų | 51 | 93.2 Ų | 93.2 | 24% | 0.238 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 177.7 | -154.9 | 71 | 3.5 | 0 | 0 | 111.8 | F119 L120 I126 N127 | F119-Q123 PolarHBondContact O-N 2.92Å; L120-Q123 PolarHBondContact O-N 3.43Å; Q123-I126 PolarHBondContact O-N 3.38Å; Q123-N127 WeakPolarHBondContact O-CB 3.49Å; Q123-N127 PolarHBondContact O-N 3.04Å |
| 124 | G | 77 | Confident | 72.1 | Confident | 39 Ų | 39 | 93.2 Ų | 93.2 | 40% | 0.402 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L120 A121 N127 W128 | L120-G124 PolarHBondContact O-N 3.42Å; A121-G124 PolarHBondContact O-N 3.03Å; G124-N127 PolarHBondContact O-N 3.34Å; G124-W128 VanDerWaalsContact O-CB 3.29Å; G124-W128 WeakPolarHBondContact O-CB 3.37Å; G124-W128 PolarHBondContact O-N 2.97Å |
| 125 | I | 78.2 | Confident | 73.8 | Confident | 99 Ų | 99 | 95.7 Ų | 95.7 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 177.5 | -68.3 | 164.5 | 0 | 0 | 0 | 111 | A121 K122 W128 L129 | A121-I125 VanDerWaalsContact O-CG1 3.27Å; A121-I125 WeakPolarHBondContact O-CG1 3.28Å; A121-I125 PolarHBondContact O-N 3.48Å; K122-I125 PolarHBondContact O-N 3.06Å; I125-W128 PolarHBondContact O-N 3.4Å; I125-L129 HydrophobicContact CG2-CD1 3.82Å; I125-L129 HydrophobicContact CG2-CG 4.31Å; I125-L129 WeakPolarHBondContact O-CB 3.38Å; I125-L129 VanDerWaalsContact O-CG 3.3Å; I125-L129 WeakPolarHBondContact O-CG 3.33Å; I125-L129 PolarHBondContact O-N 3.48Å |
| 126 | I | 77.7 | Confident | 75 | Confident | 79 Ų | 79 | 97.3 Ų | 97.3 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 178.8 | -67.9 | 168.1 | 0 | 0 | 0 | 110.5 | K122 Q123 W128 L129 L130 | K122-I126 WeakPolarHBondContact O-CG1 3.29Å; K122-I126 PolarHBondContact O-N 3.28Å; Q123-I126 PolarHBondContact O-N 3.38Å; I126-W128 PolarHBondContact O-N 3.06Å; I126-L129 PolarHBondContact O-N 2.95Å; I126-L130 WeakPolarHBondContact O-CB 3.49Å; I126-L130 PolarHBondContact O-N 3.34Å |
| 127 | N | 76 | Confident | 76.1 | Confident | 89 Ų | 89 | 93.6 Ų | 93.6 | 48% | 0.476 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 177.2 | -78.1 | -16.3 | 0 | 0 | 0 | 112 | Q123 G124 L130 V131 | Q123-N127 WeakPolarHBondContact O-CB 3.49Å; Q123-N127 PolarHBondContact O-N 3.04Å; G124-N127 PolarHBondContact O-N 3.34Å; N127-L130 WeakPolarHBondContact O-CB 3.32Å; N127-L130 PolarHBondContact O-N 3.23Å; N127-V131 WeakPolarHBondContact O-CG2 3.33Å; N127-V131 PolarHBondContact O-N 3.24Å |
| 128 | W | 79.9 | Confident | 77.2 | Confident | 156 Ų | 156 | 93.3 Ų | 93.3 | 59% | 0.591 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.2 | -45.5 | 177.2 | -177.9 | 83.4 | 0 | 0 | 0 | 112.1 | G124 I125 I126 L130 V131 Q132 | G124-W128 VanDerWaalsContact O-CB 3.29Å; G124-W128 WeakPolarHBondContact O-CB 3.37Å; G124-W128 PolarHBondContact O-N 2.97Å; I125-W128 PolarHBondContact O-N 3.4Å; I126-W128 PolarHBondContact O-N 3.06Å; W128-L130 VanDerWaalsContact C-N 3.26Å; W128-L130 PolarHBondContact O-N 2.84Å; W128-V131 PolarHBondContact O-N 3.43Å; W128-Q132 HydrophobicContact CD2-CG 4.16Å; W128-Q132 HydrophobicContact CE3-CG 4.35Å; W128-Q132 HydrophobicContact CH2-CG 4.2Å; W128-Q132 HydrophobicContact CZ2-CG 3.99Å; W128-Q132 HydrophobicContact CZ3-CG 4.37Å; W128-Q132 WeakPolarHBondContact O-CG 3.33Å; W128-Q132 PolarHBondContact O-N 2.95Å |
| 129 | L | 81.1 | Confident | 77.7 | Confident | 96 Ų | 96 | 93.1 Ų | 93.1 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61 | -37.1 | 174.3 | -74.6 | 170.7 | 0 | 0 | 0 | 111.7 | I125 I126 Q132 L133 | I125-L129 HydrophobicContact CG2-CD1 3.82Å; I125-L129 HydrophobicContact CG2-CG 4.31Å; I125-L129 WeakPolarHBondContact O-CB 3.38Å; I125-L129 VanDerWaalsContact O-CG 3.3Å; I125-L129 WeakPolarHBondContact O-CG 3.33Å; I125-L129 PolarHBondContact O-N 3.48Å; I126-L129 PolarHBondContact O-N 2.95Å; L129-Q132 PolarHBondContact O-N 3.02Å; L129-L133 WeakPolarHBondContact O-CB 3.41Å; L129-L133 PolarHBondContact O-N 2.89Å |
| 130 | L | 79.8 | Confident | 78 | Confident | 39 Ų | 39 | 97.6 Ų | 97.6 | 20% | 0.204 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 176.7 | -139.2 | 86.5 | 0 | 0 | 0 | 112 | I126 N127 W128 Q132 L133 I134 F169 L172 | I126-L130 WeakPolarHBondContact O-CB 3.49Å; I126-L130 PolarHBondContact O-N 3.34Å; N127-L130 WeakPolarHBondContact O-CB 3.32Å; N127-L130 PolarHBondContact O-N 3.23Å; W128-L130 VanDerWaalsContact C-N 3.26Å; W128-L130 PolarHBondContact O-N 2.84Å; L130-Q132 VanDerWaalsContact C-N 3.35Å; L130-L133 PolarHBondContact O-N 3.28Å; L130-I134 HydrophobicContact CD2-CD1 4.44Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 2.97Å; L130-F169 HydrophobicContact CD2-CE1 4.18Å; L130-F169 HydrophobicContact CD2-CZ 4.19Å; L130-L172 HydrophobicContact CD1-CD1 3.3Å; L130-L172 HydrophobicContact CD1-CD2 4.47Å; L130-L172 HydrophobicContact CD2-CD1 4.24Å; L130-L172 HydrophobicContact CG-CD1 4.35Å |
| 131 | V | 82.6 | Confident | 77.7 | Confident | 87 Ų | 87 | 99.6 Ų | 99.6 | 53% | 0.527 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 178.2 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | N127 W128 L133 I134 E135 | N127-V131 WeakPolarHBondContact O-CG2 3.33Å; N127-V131 PolarHBondContact O-N 3.24Å; W128-V131 PolarHBondContact O-N 3.43Å; V131-L133 VanDerWaalsContact C-N 3.32Å; V131-L133 PolarHBondContact O-N 3.35Å; V131-I134 PolarHBondContact O-N 2.9Å; V131-E135 WeakPolarHBondContact O-CB 3.15Å; V131-E135 WeakPolarHBondContact O-CG 3.49Å; V131-E135 PolarHBondContact O-N 3.46Å |
| 132 | Q | 83.9 | Confident | 77.3 | Confident | 92 Ų | 92 | 101.7 Ų | 101.7 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | 176.5 | -71.9 | -67.1 | -12.6 | 0 | 0 | 112.5 | W128 L129 L130 K136 | W128-Q132 HydrophobicContact CD2-CG 4.16Å; W128-Q132 HydrophobicContact CE3-CG 4.35Å; W128-Q132 HydrophobicContact CH2-CG 4.2Å; W128-Q132 HydrophobicContact CZ2-CG 3.99Å; W128-Q132 HydrophobicContact CZ3-CG 4.37Å; W128-Q132 WeakPolarHBondContact O-CG 3.33Å; W128-Q132 PolarHBondContact O-N 2.95Å; L129-Q132 PolarHBondContact O-N 3.02Å; L130-Q132 VanDerWaalsContact C-N 3.35Å; Q132-K136 VanDerWaalsContact O-CB 3.3Å; Q132-K136 WeakPolarHBondContact O-CB 3.36Å; Q132-K136 PolarHBondContact O-N 3.08Å |
| 133 | L | 82 | Confident | 76.7 | Confident | 84 Ų | 84 | 102 Ų | 102 | 44% | 0.44 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 177.6 | -161.1 | 78.3 | 0 | 0 | 0 | 111.4 | L129 L130 V131 K136 I137 L168 | L129-L133 WeakPolarHBondContact O-CB 3.41Å; L129-L133 PolarHBondContact O-N 2.89Å; L130-L133 PolarHBondContact O-N 3.28Å; V131-L133 VanDerWaalsContact C-N 3.32Å; V131-L133 PolarHBondContact O-N 3.35Å; L133-K136 PolarHBondContact O-N 2.88Å; L133-I137 HydrophobicContact CG-CD1 4.25Å; L133-I137 VanDerWaalsContact O-CG1 3.25Å; L133-I137 WeakPolarHBondContact O-CG1 3.44Å; L133-I137 PolarHBondContact O-N 3.33Å; L133-L168 HydrophobicContact CD2-CD2 4.07Å |
| 134 | I | 81.6 | Confident | 75.9 | Confident | 75 Ų | 75 | 107.3 Ų | 107.3 | 39% | 0.385 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.5 | -46 | 178 | -67.5 | 165.2 | 0 | 0 | 0 | 110.9 | L130 V131 K136 I137 K138 F169 | L130-I134 HydrophobicContact CD2-CD1 4.44Å; L130-I134 VanDerWaalsContact O-CG1 3.28Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 2.97Å; V131-I134 PolarHBondContact O-N 2.9Å; I134-K136 VanDerWaalsContact C-N 3.34Å; I134-K136 PolarHBondContact O-N 3.36Å; I134-I137 PolarHBondContact O-N 3.02Å; I134-K138 WeakPolarHBondContact O-CB 3.48Å; I134-K138 PolarHBondContact O-N 3.39Å; I134-F169 HydrophobicContact CD1-CZ 4.11Å |
| 135 | E | 82.7 | Confident | 75 | Confident | 124 Ų | 124 | 113.6 Ų | 113.6 | 58% | 0.579 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -57.2 | -46.5 | 174.4 | -79.3 | -93.8 | 132.6 | 0 | 0 | 111.3 | V131 I137 K138 S139 | V131-E135 WeakPolarHBondContact O-CB 3.15Å; V131-E135 WeakPolarHBondContact O-CG 3.49Å; V131-E135 PolarHBondContact O-N 3.46Å; E135-I137 PolarHBondContact O-N 3.44Å; E135-K138 WeakPolarHBondContact O-CB 3.45Å; E135-K138 PolarHBondContact O-N 3.38Å; E135-S139 PolarHBondContact O-N 3.01Å |
| 136 | K | 82 | Confident | 74.1 | Confident | 133 Ų | 133 | 112.4 Ų | 112.4 | 58% | 0.578 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.9 | -37.1 | -179.6 | -162.4 | 167.3 | -171.9 | 172 | 0 | 112.4 | Q132 L133 I134 S139 R140 | Q132-K136 VanDerWaalsContact O-CB 3.3Å; Q132-K136 WeakPolarHBondContact O-CB 3.36Å; Q132-K136 PolarHBondContact O-N 3.08Å; L133-K136 PolarHBondContact O-N 2.88Å; I134-K136 VanDerWaalsContact C-N 3.34Å; I134-K136 PolarHBondContact O-N 3.36Å; K136-S139 PolarHBondContact O-OG 3.3Å; K136-R140 PolarHBondContact O-N 2.9Å |
| 137 | I | 77.7 | Confident | 73.3 | Confident | 64 Ų | 64 | 120.7 Ų | 120.7 | 33% | 0.328 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.8 | -41.6 | 174 | -68.9 | 165.5 | 0 | 0 | 0 | 110.7 | L133 I134 E135 S139 R140 L161 | L133-I137 HydrophobicContact CG-CD1 4.25Å; L133-I137 VanDerWaalsContact O-CG1 3.25Å; L133-I137 WeakPolarHBondContact O-CG1 3.44Å; L133-I137 PolarHBondContact O-N 3.33Å; I134-I137 PolarHBondContact O-N 3.02Å; E135-I137 PolarHBondContact O-N 3.44Å; I137-S139 VanDerWaalsContact C-N 3.33Å; I137-S139 PolarHBondContact O-N 3.34Å; I137-R140 PolarHBondContact O-N 3.46Å; I137-L161 HydrophobicContact CG2-CD2 4.2Å |
| 138 | K | 80.1 | Confident | 72.3 | Confident | 163 Ų | 163 | 128.7 Ų | 128.7 | 71% | 0.709 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.2 | -38.9 | 177.8 | -167.9 | 178.1 | 179.6 | -175.3 | 0 | 112.1 | I134 E135 R140 | I134-K138 WeakPolarHBondContact O-CB 3.48Å; I134-K138 PolarHBondContact O-N 3.39Å; E135-K138 WeakPolarHBondContact O-CB 3.45Å; E135-K138 PolarHBondContact O-N 3.38Å; K138-R140 VanDerWaalsContact C-N 3.25Å; K138-R140 PolarHBondContact O-N 2.98Å |
| 139 | S | 78.3 | Confident | 71.2 | Confident | 92 Ų | 92 | 124.6 Ų | 124.6 | 64% | 0.643 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.3 | -21.6 | 178.1 | 75.6 | 0 | 0 | 0 | 0 | 114.5 | E135 K136 I137 | E135-S139 PolarHBondContact O-N 3.01Å; K136-S139 PolarHBondContact O-OG 3.3Å; I137-S139 VanDerWaalsContact C-N 3.33Å; I137-S139 PolarHBondContact O-N 3.34Å |
| 140 | R | 69.8 | Low | 70 | Confident | 195 Ų | 195 | 131 Ų | 131 | 74% | 0.736 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 7.6 | -176.8 | -79.1 | -169.7 | 179.6 | -164.6 | -0.2 | 114.3 | K136 I137 K138 P142 | K136-R140 PolarHBondContact O-N 2.9Å; I137-R140 PolarHBondContact O-N 3.46Å; K138-R140 VanDerWaalsContact C-N 3.25Å; K138-R140 PolarHBondContact O-N 2.98Å; R140-P142 WeakPolarHBondContact O-CD 3.15Å |
| 141 | Q | 62.6 | Low | 68.7 | Low | 152 Ų | 152 | 136.9 Ų | 136.9 | 71% | 0.71 | 68% | 0.683 | S | S | * | * | trans | -80.1 | 105.6 | 167.1 | -76.9 | -151.8 | -21.7 | 0 | 0 | 109.7 | T143 | Q141-T143 PolarHBondContact O-N 3Š| ||
| 142 | P | 63 | Low | 67.5 | Low | 96 Ų | 96 | 141 Ų | 141 | 62% | 0.623 | 70% | 0.697 | S | S | * | * | trans | -68.7 | 131 | 172.5 | 31.1 | -32.7 | 0 | 0 | 0 | 108.1 | R140 L144 | R140-P142 WeakPolarHBondContact O-CD 3.15Å; P142-L144 HydrophobicContact CG-CD1 4.39Å; P142-L144 HydrophobicContact CG-CG 4.46Å; P142-L144 PolarHBondContact O-N 3.38Å | ||
| 143 | T | 61 | Low | 66.4 | Low | 137 Ų | 137 | 143.3 Ų | 143.3 | 84% | 0.84 | 72% | 0.717 | S | S | * | * | trans | -58.2 | 76.9 | 168 | 29 | 0 | 0 | 0 | 0 | 110.5 | Q141 L145 | Q141-T143 PolarHBondContact O-N 3Å; T143-L145 PolarHBondContact O-N 2.96Å; T143-L145 VanDerWaalsContact O-N 3.09Å | ||
| 144 | L | 57.9 | Low | 64.8 | Low | 162 Ų | 162 | 143 Ų | 143 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | trans | -83.7 | 60.8 | 168.9 | -76.2 | 169.6 | 0 | 0 | 0 | 109.7 | P142 | P142-L144 HydrophobicContact CG-CD1 4.39Å; P142-L144 HydrophobicContact CG-CG 4.46Å; P142-L144 PolarHBondContact O-N 3.38Å | ||
| 145 | L | 58 | Low | 63.8 | Low | 172 Ų | 172 | 150.7 Ų | 150.7 | 90% | 0.901 | 76% | 0.759 | S | S | * | * | trans | -114.3 | 76.7 | 170.3 | -104.2 | 155.6 | 0 | 0 | 0 | 107.3 | T143 | T143-L145 PolarHBondContact O-N 2.96Å; T143-L145 VanDerWaalsContact O-N 3.09Å | ||
| 146 | G | 58.1 | Low | 62.9 | Low | 74 Ų | 74 | 154.4 Ų | 154.4 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | trans | -178.1 | 35.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 147 | R | 61.4 | Low | 61.9 | Low | 253 Ų | 253 | 154.8 Ų | 154.8 | 96% | 0.955 | 78% | 0.78 | S | S | * | * | trans | -156.5 | 111.4 | 157.8 | -130 | 168.6 | -177.8 | 161.3 | -0.4 | 113.1 | ||||
| 148 | R | 54.8 | Low | 61.1 | Low | 257 Ų | 257 | 156.8 Ų | 156.8 | 97% | 0.97 | 80% | 0.797 | S | S | * | * | trans | -87.3 | 117.6 | 178 | -158.6 | -179.5 | -156.5 | 176.5 | 4.9 | 107.7 | ||||
| 149 | G | 56.7 | Low | 60.6 | Low | 69 Ų | 69 | 154.3 Ų | 154.3 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | 166.6 | 83.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 150 | R | 57 | Low | 60.5 | Low | 232 Ų | 232 | 156.5 Ų | 156.5 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | 77.4 | 106.9 | 96.9 | -161.6 | 179.3 | -142.1 | 165.2 | 6.5 | 112.1 | |||||
| 151 | M | 52.1 | Low | 60.7 | Low | 162 Ų | 162 | 151.4 Ų | 151.4 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | 61.8 | 107.5 | 150.8 | -76.3 | 177.9 | 154.6 | 0 | 0 | 117.9 | ||||
| 152 | E | 57.7 | Low | 61.4 | Low | 173 Ų | 173 | 145.4 Ų | 145.4 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | 171.4 | 135.3 | 97.6 | -102.7 | 165.8 | 165.1 | 0 | 0 | 111.8 | |||||
| 153 | T | 59.3 | Low | 62.1 | Low | 140 Ų | 140 | 143.5 Ų | 143.5 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | 45.3 | 70.7 | 158.7 | 49.4 | 0 | 0 | 0 | 0 | 118.7 | R155 | T153-R155 PolarHBondContact O-N 3.37Š| ||
| 154 | G | 49.2 | Very low | 63.1 | Low | 78 Ų | 78 | 142.7 Ų | 142.7 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -65.3 | 89.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K156 | G154-K156 PolarHBondContact O-N 3.05Š| ||
| 155 | R | 60.8 | Low | 64.2 | Low | 237 Ų | 237 | 139.3 Ų | 139.3 | 89% | 0.894 | 73% | 0.727 | S | S | * | * | trans | -71.1 | 106.9 | 158.1 | -160.1 | 179.3 | -88.3 | 172.1 | -6.6 | 106.8 | T153 I157 | T153-R155 PolarHBondContact O-N 3.37Å; R155-I157 PolarHBondContact O-N 3.4Å | ||
| 156 | K | 62.5 | Low | 65.2 | Low | 201 Ų | 201 | 140.8 Ų | 140.8 | 87% | 0.874 | 72% | 0.721 | S | S | * | * | trans | -55.8 | 94.4 | 178.5 | -67.6 | 175.8 | -179.4 | 175.2 | 0 | 109.2 | G154 P158 | G154-K156 PolarHBondContact O-N 3.05Å; K156-P158 WeakPolarHBondContact O-CD 3.46Å | ||
| 157 | I | 61.4 | Low | 66.3 | Low | 141 Ų | 141 | 141.9 Ų | 141.9 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | trans | -72.5 | 108.2 | 167.2 | -62 | 173.7 | 0 | 0 | 0 | 105 | R155 T159 | R155-I157 PolarHBondContact O-N 3.4Å; I157-T159 PolarHBondContact O-N 2.71Å; I157-T159 VanDerWaalsContact O-N 3.14Å | ||
| 158 | P | 62.2 | Low | 67.3 | Low | 107 Ų | 107 | 133.4 Ų | 133.4 | 70% | 0.695 | 69% | 0.686 | S | S | * | * | trans | -59.4 | 123.6 | 169.5 | 27 | -32.1 | 0 | 0 | 0 | 106.5 | K156 I160 | K156-P158 WeakPolarHBondContact O-CD 3.46Å; P158-I160 PolarHBondContact O-N 2.87Å | ||
| 159 | T | 68.6 | Low | 68.4 | Low | 110 Ų | 110 | 125.2 Ų | 125.2 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | trans | -54.1 | 110.5 | 177.8 | 14.4 | 0 | 0 | 0 | 0 | 108.1 | I157 L161 G162 A163 | I157-T159 PolarHBondContact O-N 2.71Å; I157-T159 VanDerWaalsContact O-N 3.14Å; T159-L161 PolarHBondContact O-N 3.49Å; T159-G162 PolarHBondContact O-N 2.88Å; T159-A163 PolarHBondContact O-N 3.23Å | ||
| 160 | I | 75.9 | Confident | 69.6 | Low | 138 Ų | 138 | 124.3 Ų | 124.3 | 71% | 0.708 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -47.3 | -32.4 | 179.4 | -64.9 | 167.4 | 0 | 0 | 0 | 110.9 | P158 A163 L164 | P158-I160 PolarHBondContact O-N 2.87Å; I160-A163 PolarHBondContact O-N 3.48Å; I160-L164 PolarHBondContact O-N 3.37Å |
| 161 | L | 75 | Confident | 70.7 | Confident | 88 Ų | 88 | 119.1 Ų | 119.1 | 46% | 0.461 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -60.7 | -41.3 | 175.1 | -168.9 | 65.1 | 0 | 0 | 0 | 114 | I137 T159 L164 Q165 | I137-L161 HydrophobicContact CG2-CD2 4.2Å; T159-L161 PolarHBondContact O-N 3.49Å; L161-L164 PolarHBondContact O-N 3.4Å; L161-Q165 WeakPolarHBondContact O-CB 3.4Å; L161-Q165 PolarHBondContact O-N 3.37Å |
| 162 | G | 76.9 | Confident | 72 | Confident | 27 Ų | 27 | 113.5 Ų | 113.5 | 28% | 0.278 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.9 | -34.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | T159 R166 | T159-G162 PolarHBondContact O-N 2.88Å; G162-R166 WeakPolarHBondContact O-CG 3.41Å; G162-R166 PolarHBondContact O-N 2.98Å |
| 163 | A | 77.2 | Confident | 73 | Confident | 55 Ų | 55 | 110.7 Ų | 110.7 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.4 | -46.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | T159 I160 Q165 R166 T167 | T159-A163 PolarHBondContact O-N 3.23Å; I160-A163 PolarHBondContact O-N 3.48Å; A163-Q165 VanDerWaalsContact C-N 3.35Å; A163-Q165 PolarHBondContact O-N 2.9Å; A163-R166 PolarHBondContact O-N 2.92Å; A163-T167 PolarHBondContact O-N 2.75Å; A163-T167 PolarHBondContact O-OG1 3.38Å; A163-T167 VanDerWaalsContact O-OG1 3.06Å |
| 164 | L | 81.5 | Confident | 73.9 | Confident | 121 Ų | 121 | 109.4 Ų | 109.4 | 63% | 0.634 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.2 | -42.8 | 179 | -156.2 | 97 | 0 | 0 | 0 | 112.3 | I160 L161 T167 L168 | I160-L164 PolarHBondContact O-N 3.37Å; L161-L164 PolarHBondContact O-N 3.4Å; L164-T167 PolarHBondContact O-N 3.09Å; L164-L168 WeakPolarHBondContact O-CB 3.37Å; L164-L168 PolarHBondContact O-N 3.47Å |
| 165 | Q | 81.2 | Confident | 75.3 | Confident | 91 Ų | 91 | 109.9 Ų | 109.9 | 43% | 0.425 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.5 | -45.6 | 177.3 | -176.7 | 178.5 | -8.2 | 0 | 0 | 111.5 | L161 A163 T167 L168 F169 | L161-Q165 WeakPolarHBondContact O-CB 3.4Å; L161-Q165 PolarHBondContact O-N 3.37Å; A163-Q165 VanDerWaalsContact C-N 3.35Å; A163-Q165 PolarHBondContact O-N 2.9Å; Q165-T167 PolarHBondContact O-N 3.38Å; Q165-L168 PolarHBondContact O-N 3.28Å; Q165-F169 HydrophobicContact CG-CD2 3.95Å; Q165-F169 HydrophobicContact CG-CE2 4.02Å; Q165-F169 WeakPolarHBondContact O-CD2 3.36Å; Q165-F169 PolarHBondContact O-N 3.25Å |
| 166 | R | 80.1 | Confident | 75.8 | Confident | 203 Ų | 203 | 103 Ų | 103 | 77% | 0.766 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.1 | -41.6 | 178.5 | -71 | 174.4 | -173.9 | -175.2 | 1.4 | 111.9 | G162 A163 F169 A170 | G162-R166 WeakPolarHBondContact O-CG 3.41Å; G162-R166 PolarHBondContact O-N 2.98Å; A163-R166 PolarHBondContact O-N 2.92Å; R166-F169 PolarHBondContact O-N 3.49Å; R166-A170 PolarHBondContact O-N 3.04Å |
| 167 | T | 80.3 | Confident | 76.1 | Confident | 97 Ų | 97 | 95.5 Ų | 95.5 | 60% | 0.595 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.9 | -40.9 | 177.3 | -52.7 | 0 | 0 | 0 | 0 | 111.8 | A163 L164 Q165 A170 F171 | A163-T167 PolarHBondContact O-N 2.75Å; A163-T167 PolarHBondContact O-OG1 3.38Å; A163-T167 VanDerWaalsContact O-OG1 3.06Å; L164-T167 PolarHBondContact O-N 3.09Å; Q165-T167 PolarHBondContact O-N 3.38Å; T167-A170 PolarHBondContact O-N 3.48Å; T167-F171 WeakPolarHBondContact O-CB 3.35Å; T167-F171 PolarHBondContact O-N 2.76Å |
| 168 | L | 83 | Confident | 76.3 | Confident | 75 Ų | 75 | 95.5 Ų | 95.5 | 39% | 0.393 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 176.1 | -176.2 | 68.7 | 0 | 0 | 0 | 111.9 | L133 L164 Q165 F171 L172 | L133-L168 HydrophobicContact CD2-CD2 4.07Å; L164-L168 WeakPolarHBondContact O-CB 3.37Å; L164-L168 PolarHBondContact O-N 3.47Å; Q165-L168 PolarHBondContact O-N 3.28Å; L168-F171 PolarHBondContact O-N 3.2Å; L168-L172 HydrophobicContact CG-CD1 4.11Å; L168-L172 WeakPolarHBondContact O-CG 3.42Å; L168-L172 PolarHBondContact O-N 3.4Å |
| 169 | F | 78.6 | Confident | 76.2 | Confident | 84 Ų | 84 | 92.3 Ų | 92.3 | 37% | 0.368 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 175.9 | -93.7 | -83.3 | 0 | 0 | 0 | 112.1 | L130 I134 Q165 R166 F171 L172 L173 | L130-F169 HydrophobicContact CD2-CE1 4.18Å; L130-F169 HydrophobicContact CD2-CZ 4.19Å; I134-F169 HydrophobicContact CD1-CZ 4.11Å; Q165-F169 HydrophobicContact CG-CD2 3.95Å; Q165-F169 HydrophobicContact CG-CE2 4.02Å; Q165-F169 WeakPolarHBondContact O-CD2 3.36Å; Q165-F169 PolarHBondContact O-N 3.25Å; R166-F169 PolarHBondContact O-N 3.49Å; F169-F171 VanDerWaalsContact C-N 3.34Å; F169-F171 PolarHBondContact O-N 3.49Å; F169-L172 PolarHBondContact O-N 3.39Å; F169-L173 WeakPolarHBondContact O-CG 3.44Å; F169-L173 PolarHBondContact O-N 3.33Å |
| 170 | A | 80.1 | Confident | 75.7 | Confident | 51 Ų | 51 | 93.8 Ų | 93.8 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R166 T167 L173 L174 | R166-A170 PolarHBondContact O-N 3.04Å; T167-A170 PolarHBondContact O-N 3.48Å; A170-L173 PolarHBondContact O-N 3.42Å; A170-L174 WeakPolarHBondContact O-CG 3.48Å; A170-L174 PolarHBondContact O-N 3.42Å |
| 171 | F | 81.3 | Confident | 74.7 | Confident | 123 Ų | 123 | 95.9 Ų | 95.9 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 177.3 | -174.8 | -103.9 | 0 | 0 | 0 | 112.5 | T167 L168 F169 L174 L175 | T167-F171 WeakPolarHBondContact O-CB 3.35Å; T167-F171 PolarHBondContact O-N 2.76Å; L168-F171 PolarHBondContact O-N 3.2Å; F169-F171 VanDerWaalsContact C-N 3.34Å; F169-F171 PolarHBondContact O-N 3.49Å; F171-L174 PolarHBondContact O-N 2.76Å; F171-L175 HydrophobicContact CD1-CD1 3.72Å; F171-L175 HydrophobicContact CD1-CG 4.28Å; F171-L175 HydrophobicContact CE1-CD1 3.36Å; F171-L175 HydrophobicContact CE1-CG 4Å; F171-L175 HydrophobicContact CZ-CD1 4.02Å; F171-L175 HydrophobicContact CZ-CD2 4.4Å; F171-L175 HydrophobicContact CZ-CG 4.25Å; F171-L175 WeakPolarHBondContact O-CG 3.23Å; F171-L175 PolarHBondContact O-N 3.08Å |
| 172 | L | 79.2 | Confident | 73.8 | Confident | 44 Ų | 44 | 95.5 Ų | 95.5 | 23% | 0.23 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -67.4 | -38.7 | 176.8 | -69.5 | 162.9 | 0 | 0 | 0 | 112.6 | L130 L168 F169 L174 L175 Q176 | L130-L172 HydrophobicContact CD1-CD1 3.3Å; L130-L172 HydrophobicContact CD1-CD2 4.47Å; L130-L172 HydrophobicContact CD2-CD1 4.24Å; L130-L172 HydrophobicContact CG-CD1 4.35Å; L168-L172 HydrophobicContact CG-CD1 4.11Å; L168-L172 WeakPolarHBondContact O-CG 3.42Å; L168-L172 PolarHBondContact O-N 3.4Å; F169-L172 PolarHBondContact O-N 3.39Å; L172-L174 VanDerWaalsContact C-N 3.34Å; L172-L175 PolarHBondContact O-N 3.47Å; L172-Q176 WeakPolarHBondContact O-CB 3.29Å; L172-Q176 PolarHBondContact O-N 3.15Å |
| 173 | L | 79.6 | Confident | 73.4 | Confident | 114 Ų | 114 | 100.5 Ų | 100.5 | 60% | 0.597 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.4 | -39.8 | 173.6 | -70.5 | 174.6 | 0 | 0 | 0 | 111.6 | F169 A170 Q176 A177 | F169-L173 WeakPolarHBondContact O-CG 3.44Å; F169-L173 PolarHBondContact O-N 3.33Å; A170-L173 PolarHBondContact O-N 3.42Å; L173-Q176 PolarHBondContact O-N 2.89Å; L173-A177 WeakPolarHBondContact O-CB 3.28Å; L173-A177 PolarHBondContact O-N 2.86Å |
| 174 | L | 78.2 | Confident | 73.6 | Confident | 113 Ų | 113 | 100.2 Ų | 100.2 | 59% | 0.592 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.2 | -43.1 | 174.1 | -75.1 | 167.2 | 0 | 0 | 0 | 112 | A170 F171 L172 A177 H178 | A170-L174 WeakPolarHBondContact O-CG 3.48Å; A170-L174 PolarHBondContact O-N 3.42Å; F171-L174 PolarHBondContact O-N 2.76Å; L172-L174 VanDerWaalsContact C-N 3.34Å; L174-A177 PolarHBondContact O-N 3.36Å; L174-H178 WeakPolarHBondContact O-CB 3.44Å; L174-H178 PolarHBondContact O-N 2.89Å |
| 175 | L | 77.5 | Confident | 74 | Confident | 88 Ų | 88 | 95.6 Ų | 95.6 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 174.6 | -76.3 | 174.8 | 0 | 0 | 0 | 111.9 | F171 L172 H178 S179 | F171-L175 HydrophobicContact CD1-CD1 3.72Å; F171-L175 HydrophobicContact CD1-CG 4.28Å; F171-L175 HydrophobicContact CE1-CD1 3.36Å; F171-L175 HydrophobicContact CE1-CG 4Å; F171-L175 HydrophobicContact CZ-CD1 4.02Å; F171-L175 HydrophobicContact CZ-CD2 4.4Å; F171-L175 HydrophobicContact CZ-CG 4.25Å; F171-L175 WeakPolarHBondContact O-CG 3.23Å; F171-L175 PolarHBondContact O-N 3.08Å; L172-L175 PolarHBondContact O-N 3.47Å; L175-H178 PolarHBondContact O-N 3.33Å; L175-S179 WeakPolarHBondContact O-CB 3.34Å; L175-S179 PolarHBondContact O-N 2.85Å |
| 176 | Q | 71.4 | Confident | 74.6 | Confident | 91 Ų | 91 | 93.9 Ų | 93.9 | 43% | 0.425 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 176.9 | -174.3 | 172.1 | -29.5 | 0 | 0 | 111.2 | L172 L173 H178 S179 Q180 | L172-Q176 WeakPolarHBondContact O-CB 3.29Å; L172-Q176 PolarHBondContact O-N 3.15Å; L173-Q176 PolarHBondContact O-N 2.89Å; Q176-H178 PolarHBondContact O-N 3.49Å; Q176-S179 PolarHBondContact O-N 2.9Å; Q176-S179 PolarHBondContact O-OG 3.29Å; Q176-Q180 PolarHBondContact O-N 3.4Å |
| 177 | A | 68.2 | Low | 75.2 | Confident | 45 Ų | 45 | 84.2 Ų | 84.2 | 37% | 0.372 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L173 L174 S179 Q180 F181 | L173-A177 WeakPolarHBondContact O-CB 3.28Å; L173-A177 PolarHBondContact O-N 2.86Å; L174-A177 PolarHBondContact O-N 3.36Å; A177-S179 PolarHBondContact O-N 3.27Å; A177-Q180 PolarHBondContact O-N 3.46Å; A177-F181 VanDerWaalsContact O-CD2 3.23Å; A177-F181 WeakPolarHBondContact O-CD2 3.36Å |
| 178 | H | 66.6 | Low | 75.9 | Confident | 141 Ų | 141 | 81.6 Ų | 81.6 | 65% | 0.653 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.1 | -33.5 | 175.5 | -89.4 | 5.9 | 0 | 0 | 0 | 113.8 | L174 L175 Q176 Q180 F181 | L174-H178 WeakPolarHBondContact O-CB 3.44Å; L174-H178 PolarHBondContact O-N 2.89Å; L175-H178 PolarHBondContact O-N 3.33Å; Q176-H178 PolarHBondContact O-N 3.49Å; H178-Q180 PolarHBondContact O-N 3.49Å; H178-F181 PolarHBondContact O-N 3.4Å; H178-F181 VanDerWaalsContact O-N 3.15Å |
| 179 | S | 60.4 | Low | 76.3 | Confident | 40 Ų | 40 | 78 Ų | 78 | 28% | 0.28 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.3 | -28.6 | 179.3 | 72.6 | 0 | 0 | 0 | 0 | 113.1 | L175 Q176 A177 F181 A182 | L175-S179 WeakPolarHBondContact O-CB 3.34Å; L175-S179 PolarHBondContact O-N 2.85Å; Q176-S179 PolarHBondContact O-N 2.9Å; Q176-S179 PolarHBondContact O-OG 3.29Å; A177-S179 PolarHBondContact O-N 3.27Å; S179-F181 VanDerWaalsContact C-N 3.29Å; S179-F181 PolarHBondContact O-N 2.9Å; S179-A182 PolarHBondContact O-N 2.9Å |
| 180 | Q | 56.7 | Low | 76.8 | Confident | 141 Ų | 141 | 74 Ų | 74 | 66% | 0.659 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -72.4 | -23.1 | 176.4 | -68.8 | -174 | -12.6 | 0 | 0 | 112.8 | Q176 A177 H178 A182 | Q176-Q180 PolarHBondContact O-N 3.4Å; A177-Q180 PolarHBondContact O-N 3.46Å; H178-Q180 PolarHBondContact O-N 3.49Å; Q180-A182 VanDerWaalsContact C-N 3.26Å; Q180-A182 PolarHBondContact O-N 3.04Å |
| 181 | F | 54.9 | Low | 77.1 | Confident | 181 Ų | 181 | 72.6 Ų | 72.6 | 79% | 0.794 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -2.7 | 176.9 | -77.5 | -80.1 | 0 | 0 | 0 | 113.9 | A177 H178 S179 | A177-F181 VanDerWaalsContact O-CD2 3.23Å; A177-F181 WeakPolarHBondContact O-CD2 3.36Å; H178-F181 PolarHBondContact O-N 3.4Å; H178-F181 VanDerWaalsContact O-N 3.15Å; S179-F181 VanDerWaalsContact C-N 3.29Å; S179-F181 PolarHBondContact O-N 2.9Å |
| 182 | A | 56.7 | Low | 76.9 | Confident | 81 Ų | 81 | 69.5 Ų | 69.5 | 67% | 0.669 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -2.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S179 Q180 A184 | S179-A182 PolarHBondContact O-N 2.9Å; Q180-A182 VanDerWaalsContact C-N 3.26Å; Q180-A182 PolarHBondContact O-N 3.04Å; A182-A184 PolarHBondContact O-N 2.81Å |
| 183 | L | 68.5 | Low | 76.4 | Confident | 132 Ų | 132 | 71 Ų | 71 | 69% | 0.691 | 39% | 0.39 | S | S | * | . | trans | -92.9 | 105.3 | 180 | -64.4 | 174.5 | 0 | 0 | 0 | 109.5 | L185 | L183-L185 PolarHBondContact O-N 3.31Š| ||
| 184 | A | 82.5 | Confident | 75.4 | Confident | 49 Ų | 49 | 76 Ų | 76 | 41% | 0.405 | 41% | 0.407 | S | S | . | . | trans | -62 | 131.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | A182 | A182-A184 PolarHBondContact O-N 2.81Š| ||
| 185 | L | 89.2 | Confident | 74.3 | Confident | 23 Ų | 23 | 74.5 Ų | 74.5 | 12% | 0.12 | 42% | 0.418 | C | S | . | . | trans | -56.7 | 141.2 | 175.8 | 179.4 | 70.7 | 0 | 0 | 0 | 109.6 | L183 C224 N229 | L183-L185 PolarHBondContact O-N 3.31Å; L185-C224 HydrophobicContact CB-CB 4.05Å; L185-C224 VanDerWaalsContact O-CB 3.24Å; L185-C224 WeakPolarHBondContact O-CB 3.45Å; L185-C224 PolarHBondContact O-N 3.5Å; L185-C224 PolarHBondContact O-SG 3.49Å; L185-N229 VanDerWaalsContact CD2-C 3.48Å | ||
| 186 | K | 92.7 | Very high | 73.2 | Confident | 55 Ų | 55 | 71.7 Ų | 71.7 | 24% | 0.239 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136.8 | 174.7 | -56.6 | -174.1 | -163.9 | -162.6 | 0 | 110.4 | V222 Y223 C231 D298 L299 | K186-V222 WeakPolarHBondContact CA-O 3.29Å; K186-Y223 HydrophobicContact CD-CD1 4.32Å; K186-Y223 HydrophobicContact CD-CE1 3.87Å; K186-Y223 HydrophobicContact CG-CD1 4.04Å; K186-Y223 HydrophobicContact CG-CE1 4.11Å; K186-Y223 PolarHBondContact NZ-OH 2.64Å; K186-Y223 VanDerWaalsContact NZ-OH 3.08Å; K186-C231 PolarHBondContact O-SG 3.2Å; K186-D298 PolarHBondContact N-OD1 2.76Å; K186-L299 HydrophobicContact CB-CD2 3.9Å; K186-L299 HydrophobicContact CB-CG 4.22Å; K186-L299 PolarHBondContact O-N 2.78Å |
| 187 | C | 93.7 | Very high | 72.5 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 161.7 | 175.3 | -60 | 0 | 0 | 0 | 0 | 111.4 | V222 C224 C231 | C187-V222 HydrophobicContact CB-CG2 4.34Å; C187-V222 PolarHBondContact N-O 2.9Å; C187-V222 WeakPolarHBondContact O-CG2 3Å; C187-V222 PolarHBondContact O-N 2.95Å; C187-C224 PolarHBondContact SG-SG 3.09Å; C187-C231 VanDerWaalsContact CA-SG 3.54Å; C187-C231 HydrophobicContact CB-CB 3.84Å; C187-C231 WeakPolarHBondContact CB-SG 3.23Å; C187-C231 WeakPolarHBondContact SG-CA 3.44Å; C187-C231 WeakPolarHBondContact SG-CB 3.45Å; C187-C231 CovalentContact SG-SG 2.03Å; C187-C231 PolarHBondContact SG-SG 3.46Å |
| 188 | Y | 94.2 | Very high | 72 | Confident | 42 Ų | 42 | 75.7 Ų | 75.7 | 17% | 0.165 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 141.2 | 167 | -72.9 | -66.1 | 0 | 0 | 0 | 111.3 | F219 E220 K221 K248 L299 N301 F302 | Y188-F219 HydrophobicContact CD1-CB 3.74Å; Y188-F219 HydrophobicContact CD1-CG 4.47Å; Y188-F219 HydrophobicContact CE1-CB 4.27Å; Y188-F219 HydrophobicContact CG-CB 4.33Å; Y188-E220 CarbonylContact C-O 3.59Å; Y188-E220 WeakPolarHBondContact CA-O 3.49Å; Y188-K221 HydrophobicContact CD1-CG 4.13Å; Y188-K221 HydrophobicContact CE1-CG 3.69Å; Y188-K248 WeakPolarHBondContact O-CB 3.48Å; Y188-L299 HydrophobicContact CD1-CD2 4.34Å; Y188-L299 HydrophobicContact CD2-CB 4.05Å; Y188-L299 HydrophobicContact CD2-CD2 4.18Å; Y188-L299 HydrophobicContact CE1-CD2 4.18Å; Y188-L299 HydrophobicContact CE2-CB 3.55Å; Y188-L299 HydrophobicContact CE2-CD1 4.45Å; Y188-L299 HydrophobicContact CE2-CD2 4.02Å; Y188-L299 HydrophobicContact CE2-CG 4.21Å; Y188-L299 HydrophobicContact CG-CD2 4.34Å; Y188-N301 WeakPolarHBondContact CB-OD1 3.43Å; Y188-N301 PolarHBondContact N-OD1 3.31Å; Y188-N301 PolarHBondContact O-ND2 3.11Å; Y188-F302 HydrophobicContact CD2-CB 3.77Å; Y188-F302 AromaticContact CD2-CD2 3.83Å; Y188-F302 HydrophobicContact CD2-CD2 3.83Å; Y188-F302 HydrophobicContact CD2-CG 4.24Å; Y188-F302 HydrophobicContact CE2-CB 3.68Å; Y188-F302 AromaticContact CE2-CD2 3.55Å; Y188-F302 HydrophobicContact CE2-CD2 3.55Å; Y188-F302 HydrophobicContact CE2-CE2 4.47Å; Y188-F302 AromaticContact CE2-CG 3.89Å; Y188-F302 HydrophobicContact CE2-CG 3.89Å; Y188-F302 HydrophobicContact CG-CD2 4.5Å |
| 189 | V | 92.2 | Very high | 71.8 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 164.1 | 163 | -60.4 | 0 | 0 | 0 | 0 | 109.1 | R206 F219 E220 V222 K248 | V189-R206 HydrophobicContact CB-CB 4.35Å; V189-R206 HydrophobicContact CB-CG 4.13Å; V189-R206 HydrophobicContact CG1-CG 4.38Å; V189-R206 HydrophobicContact CG2-CG 4.48Å; V189-F219 WeakPolarHBondContact O-CA 3.35Å; V189-E220 HydrophobicContact CG2-CB 3.82Å; V189-E220 PolarHBondContact N-O 3.02Å; V189-E220 PolarHBondContact O-N 3.45Å; V189-V222 HydrophobicContact CB-CG1 4.37Å; V189-V222 HydrophobicContact CG1-CB 4.35Å; V189-V222 HydrophobicContact CG1-CG1 3.79Å; V189-V222 HydrophobicContact CG1-CG2 3.6Å; V189-V222 HydrophobicContact CG2-CG1 3.63Å; V189-K248 WeakPolarHBondContact CG1-O 3.24Å |
| 190 | C | 89.1 | Confident | 71.8 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.007 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 132.6 | 169.7 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | R206 T208 C216 | C190-R206 WeakPolarHBondContact O-CD 3.28Å; C190-R206 PolarHBondContact O-NH1 2.86Å; C190-R206 VanDerWaalsContact O-NH1 3.11Å; C190-T208 WeakPolarHBondContact CB-OG1 2.95Å; C190-C216 HydrophobicContact CB-CB 3.82Å; C190-C216 WeakPolarHBondContact CB-SG 3.36Å; C190-C216 WeakPolarHBondContact SG-CB 3.39Å; C190-C216 CovalentContact SG-SG 2.01Å; C190-C216 PolarHBondContact SG-SG 3.29Å |
| 191 | A | 86.2 | Confident | 72.1 | Confident | 21 Ų | 21 | 69 Ų | 69 | 17% | 0.174 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 136.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | R218 E220 | A191-R218 HydrophobicContact CB-CB 3.61Å; A191-R218 PolarHBondContact N-O 3.23Å; A191-E220 VanDerWaalsContact CA-OE1 3.28Å; A191-E220 WeakPolarHBondContact CA-OE1 3.06Å; A191-E220 HydrophobicContact CB-CG 3.79Å; A191-E220 VanDerWaalsContact CB-OE1 3.25Å; A191-E220 WeakPolarHBondContact CB-OE1 3.04Å |
| 192 | T | 76.9 | Confident | 72.7 | Confident | 57 Ų | 57 | 63.8 Ų | 63.8 | 35% | 0.35 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 128.4 | 174.6 | 58.1 | 0 | 0 | 0 | 0 | 108.9 | H199 | T192-H199 HydrophobicContact CG2-CB 3.92Å; T192-H199 VanDerWaalsContact CG2-CD2 3.44Å; T192-H199 WeakPolarHBondContact CG2-CD2 3.36Å |
| 193 | S | 68.2 | Low | 73.3 | Confident | 76 Ų | 76 | 66.3 Ų | 66.3 | 53% | 0.531 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 134.9 | 165.8 | 46.4 | 0 | 0 | 0 | 0 | 108.7 | G195 A196 | S193-G195 PolarHBondContact O-N 2.87Å; S193-G195 VanDerWaalsContact O-N 3.09Å; S193-A196 PolarHBondContact O-N 3.42Å; S193-A196 VanDerWaalsContact OG-CB 3.27Å; S193-A196 WeakPolarHBondContact OG-CB 3.36Å |
| 194 | K | 60.2 | Low | 74 | Confident | 220 Ų | 220 | 62 Ų | 62 | 96% | 0.957 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 119.8 | 172.8 | -70.8 | -172.1 | 176.8 | -173.1 | 0 | 109.3 | ||
| 195 | G | 53.5 | Low | 74.3 | Confident | 81 Ų | 81 | 61.2 Ų | 61.2 | 84% | 0.835 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.6 | -2.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | S193 I197 | S193-G195 PolarHBondContact O-N 2.87Å; S193-G195 VanDerWaalsContact O-N 3.09Å; G195-I197 PolarHBondContact O-N 3.35Å |
| 196 | A | 55.3 | Low | 74.3 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 24% | 0.24 | 35% | 0.352 | C | S | . | . | trans | -81.2 | 119.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | S193 D198 | S193-A196 PolarHBondContact O-N 3.42Å; S193-A196 VanDerWaalsContact OG-CB 3.27Å; S193-A196 WeakPolarHBondContact OG-CB 3.36Å; A196-D198 PolarHBondContact O-N 3.32Å | ||
| 197 | I | 57.2 | Low | 74 | Confident | 153 Ų | 153 | 61.4 Ų | 61.4 | 79% | 0.785 | 35% | 0.351 | S | S | * | . | trans | -77.2 | -2.4 | 173.7 | -55.6 | 170.6 | 0 | 0 | 0 | 110.3 | G195 H199 | G195-I197 PolarHBondContact O-N 3.35Å; I197-H199 PolarHBondContact O-N 2.96Å | ||
| 198 | D | 57.7 | Low | 73.7 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 36% | 0.358 | 35% | 0.353 | S | S | . | . | trans | -83.9 | 17.5 | -166.2 | -53.6 | -31.6 | 0 | 0 | 0 | 113.8 | A196 T208 I209 | A196-D198 PolarHBondContact O-N 3.32Å; D198-T208 WeakPolarHBondContact O-CA 3.17Å; D198-I209 HydrophobicContact CB-CG1 3.84Å; D198-I209 PolarHBondContact O-N 3.01Å; D198-I209 VanDerWaalsContact O-N 3.12Å | ||
| 199 | H | 60.8 | Low | 73.3 | Confident | 35 Ų | 35 | 60.7 Ų | 60.7 | 16% | 0.162 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 116.6 | -174.9 | -51 | -67.8 | 0 | 0 | 0 | 111.5 | T192 I197 T201 V207 T208 | T192-H199 HydrophobicContact CG2-CB 3.92Å; T192-H199 VanDerWaalsContact CG2-CD2 3.44Å; T192-H199 WeakPolarHBondContact CG2-CD2 3.36Å; I197-H199 PolarHBondContact O-N 2.96Å; H199-T201 HydrophobicContact CB-CG2 4.25Å; H199-V207 VanDerWaalsContact CA-O 3.27Å; H199-V207 WeakPolarHBondContact CA-O 3.32Å; H199-T208 PolarHBondContact ND1-OG1 3.31Å |
| 200 | V | 60.8 | Low | 72.9 | Confident | 77 Ų | 77 | 63.8 Ų | 63.8 | 47% | 0.467 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 115 | 162.7 | -177.6 | 0 | 0 | 0 | 0 | 106.7 | R206 V207 | V200-R206 WeakPolarHBondContact O-CA 3.25Å; V200-V207 HydrophobicContact CB-CB 4.45Å; V200-V207 PolarHBondContact N-O 2.69Å; V200-V207 VanDerWaalsContact N-O 3.11Å; V200-V207 PolarHBondContact O-N 3.11Å |
| 201 | T | 63.5 | Low | 72.8 | Confident | 69 Ų | 69 | 65.3 Ų | 65.3 | 42% | 0.423 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 121.9 | -179.1 | 64.1 | 0 | 0 | 0 | 0 | 109.9 | H199 R206 | H199-T201 HydrophobicContact CB-CG2 4.25Å; T201-R206 HydrophobicContact CG2-CB 4.43Å; T201-R206 HydrophobicContact CG2-CG 3.76Å |
| 202 | T | 67.7 | Low | 72.8 | Confident | 72 Ų | 72 | 75.4 Ų | 75.4 | 44% | 0.442 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 167.2 | 161.8 | 57.9 | 0 | 0 | 0 | 0 | 108.1 | N204 F205 | T202-N204 PolarHBondContact O-N 2.79Å; T202-F205 PolarHBondContact N-O 2.94Å; T202-F205 PolarHBondContact O-N 2.99Å |
| 203 | D | 68.5 | Low | 73.3 | Confident | 133 Ų | 133 | 76.2 Ų | 76.2 | 71% | 0.711 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 110.6 | -176.8 | -64.2 | -35.1 | 0 | 0 | 0 | 111.1 | F205 Q228 | D203-F205 VanDerWaalsContact C-N 3.27Å; D203-F205 PolarHBondContact O-N 3.15Å; D203-Q228 PolarHBondContact O-NE2 3.34Å |
| 204 | N | 84.3 | Confident | 74.3 | Confident | 42 Ų | 42 | 73.3 Ų | 73.3 | 23% | 0.225 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 15.9 | -177.9 | -56.8 | -49.7 | 0 | 0 | 0 | 117.5 | T202 V222 Y223 D225 G249 C250 | T202-N204 PolarHBondContact O-N 2.79Å; N204-V222 HydrophobicContact CB-CB 4.46Å; N204-V222 HydrophobicContact CB-CG2 4.2Å; N204-Y223 VanDerWaalsContact CG-O 3.29Å; N204-Y223 PolarHBondContact ND2-O 2.97Å; N204-Y223 VanDerWaalsContact ND2-O 3.14Å; N204-Y223 PolarHBondContact OD1-O 3.38Å; N204-D225 PolarHBondContact ND2-OD2 3.26Å; N204-G249 CarbonylContact O-C 3.46Å; N204-G249 WeakPolarHBondContact O-CA 3.2Å; N204-C250 HydrophobicContact CB-CB 3.92Å; N204-C250 PolarHBondContact O-N 3.14Å |
| 205 | F | 87.9 | Confident | 75.5 | Confident | 32 Ų | 32 | 65.8 Ų | 65.8 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 132 | 173.3 | 178.9 | -99.8 | 0 | 0 | 0 | 112 | T202 D203 V207 L232 I234 K248 | T202-F205 PolarHBondContact N-O 2.94Å; T202-F205 PolarHBondContact O-N 2.99Å; D203-F205 VanDerWaalsContact C-N 3.27Å; D203-F205 PolarHBondContact O-N 3.15Å; F205-V207 HydrophobicContact CD1-CG2 4.18Å; F205-V207 HydrophobicContact CE1-CG2 3.33Å; F205-V207 HydrophobicContact CZ-CG2 3.85Å; F205-L232 HydrophobicContact CD2-CD2 4.09Å; F205-L232 HydrophobicContact CE2-CD2 3.63Å; F205-L232 HydrophobicContact CE2-CG 4.04Å; F205-L232 HydrophobicContact CZ-CD2 4.23Å; F205-I234 HydrophobicContact CZ-CD1 4.11Å; F205-K248 VanDerWaalsContact CD2-C 3.49Å; F205-K248 WeakPolarHBondContact CD2-O 3.12Å |
| 206 | R | 89.3 | Confident | 77.1 | Confident | 49 Ų | 49 | 62.4 Ų | 62.4 | 19% | 0.185 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.4 | -178 | -58 | -167.6 | -179 | 155.4 | 0.2 | 111.2 | V189 C190 V200 T201 E220 G247 K248 | V189-R206 HydrophobicContact CB-CB 4.35Å; V189-R206 HydrophobicContact CB-CG 4.13Å; V189-R206 HydrophobicContact CG1-CG 4.38Å; V189-R206 HydrophobicContact CG2-CG 4.48Å; C190-R206 WeakPolarHBondContact O-CD 3.28Å; C190-R206 PolarHBondContact O-NH1 2.86Å; C190-R206 VanDerWaalsContact O-NH1 3.11Å; V200-R206 WeakPolarHBondContact O-CA 3.25Å; T201-R206 HydrophobicContact CG2-CB 4.43Å; T201-R206 HydrophobicContact CG2-CG 3.76Å; R206-E220 IonicContact CZ-OE2 3.31Å; R206-E220 IonicContact NH1-OE1 3.44Å; R206-E220 IonicContact NH1-OE2 2.91Å; R206-E220 PolarHBondContact NH1-OE2 3.29Å; R206-E220 IonicContact NH2-OE2 2.69Å; R206-E220 PolarHBondContact NH2-OE2 2.01Å; R206-G247 CarbonylContact O-C 3.58Å; R206-G247 WeakPolarHBondContact O-CA 3.41Å; R206-K248 PolarHBondContact N-O 3.03Å; R206-K248 PolarHBondContact O-N 3.07Å |
| 207 | V | 87.2 | Confident | 78.4 | Confident | 34 Ų | 34 | 69.8 Ų | 69.8 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 123.5 | 171.1 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | H199 V200 F205 I209 L246 | H199-V207 VanDerWaalsContact CA-O 3.27Å; H199-V207 WeakPolarHBondContact CA-O 3.32Å; V200-V207 HydrophobicContact CB-CB 4.45Å; V200-V207 PolarHBondContact N-O 2.69Å; V200-V207 VanDerWaalsContact N-O 3.11Å; V200-V207 PolarHBondContact O-N 3.11Å; F205-V207 HydrophobicContact CD1-CG2 4.18Å; F205-V207 HydrophobicContact CE1-CG2 3.33Å; F205-V207 HydrophobicContact CZ-CG2 3.85Å; V207-I209 HydrophobicContact CG1-CG2 4.19Å; V207-L246 CarbonylContact C-O 3.54Å; V207-L246 WeakPolarHBondContact CA-O 3.43Å |
| 208 | T | 87.1 | Confident | 79.9 | Confident | 10 Ų | 10 | 72 Ų | 72 | 6% | 0.061 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 122.6 | 170.7 | -51.6 | 0 | 0 | 0 | 0 | 109.1 | C190 D198 H199 L211 W245 L246 | C190-T208 WeakPolarHBondContact CB-OG1 2.95Å; D198-T208 WeakPolarHBondContact O-CA 3.17Å; H199-T208 PolarHBondContact ND1-OG1 3.31Å; T208-L211 HydrophobicContact CG2-CD1 4.22Å; T208-L211 HydrophobicContact CG2-CD2 3.67Å; T208-L211 HydrophobicContact CG2-CG 3.98Å; T208-W245 CarbonylContact O-C 3.31Å; T208-W245 WeakPolarHBondContact O-CA 3.49Å; T208-L246 PolarHBondContact N-O 3.36Å; T208-L246 PolarHBondContact O-N 2.82Å |
| 209 | I | 85.7 | Confident | 81.4 | Confident | 16 Ų | 16 | 71.2 Ų | 71.2 | 8% | 0.082 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 169.3 | -178.1 | 64.1 | 174.5 | 0 | 0 | 0 | 111.8 | D198 V207 L211 W245 | D198-I209 HydrophobicContact CB-CG1 3.84Å; D198-I209 PolarHBondContact O-N 3.01Å; D198-I209 VanDerWaalsContact O-N 3.12Å; V207-I209 HydrophobicContact CG1-CG2 4.19Å; I209-L211 PolarHBondContact O-N 2.04Å; I209-L211 VanDerWaalsContact O-N 3.12Å; I209-W245 HydrophobicContact CB-CD2 4.46Å; I209-W245 HydrophobicContact CB-CG 4.15Å; I209-W245 HydrophobicContact CG2-CD2 3.97Å; I209-W245 HydrophobicContact CG2-CG 3.92Å |
| 210 | D | 84.6 | Confident | 82.8 | Confident | 66 Ų | 66 | 73 Ų | 73 | 35% | 0.353 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.2 | 32.3 | 172.1 | -61.8 | -28.5 | 0 | 0 | 0 | 115.8 | R26 T243 Y244 | R26-D210 IonicContact NH1-OD2 2.76Å; R26-D210 PolarHBondContact NH1-OD2 3.2Å; D210-T243 PolarHBondContact OD1-OG1 2.03Å; D210-Y244 PolarHBondContact N-O 3.27Å |
| 211 | L | 85.7 | Confident | 84.3 | Confident | 33 Ų | 33 | 74.1 Ų | 74.1 | 17% | 0.173 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 139.7 | 176.5 | -63.3 | 172.5 | 0 | 0 | 0 | 111.3 | T208 I209 Q213 Y244 L246 | T208-L211 HydrophobicContact CG2-CD1 4.22Å; T208-L211 HydrophobicContact CG2-CD2 3.67Å; T208-L211 HydrophobicContact CG2-CG 3.98Å; I209-L211 PolarHBondContact O-N 2.04Å; I209-L211 VanDerWaalsContact O-N 3.12Å; L211-Q213 VanDerWaalsContact C-N 3.29Å; L211-Q213 WeakPolarHBondContact CB-O 3.13Å; L211-Q213 PolarHBondContact O-N 3.48Å; L211-Y244 VanDerWaalsContact CB-O 3.32Å; L211-Y244 WeakPolarHBondContact CB-O 3.31Å; L211-Y244 PolarHBondContact N-O 2.87Å; L211-Y244 PolarHBondContact O-N 3.39Å; L211-L246 HydrophobicContact CD1-CB 3.45Å; L211-L246 VanDerWaalsContact CD1-CB 3.45Å; L211-L246 HydrophobicContact CD1-CD2 4.06Å; L211-L246 HydrophobicContact CD1-CG 4.4Å |
| 212 | R | 87.3 | Confident | 85.6 | Confident | 232 Ų | 232 | 71.7 Ų | 71.7 | 88% | 0.875 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -74.2 | -19.2 | 172.2 | -66.1 | -173.8 | 179.7 | -175.9 | -0.1 | 113.5 | ||
| 213 | Q | 87.6 | Confident | 86.8 | Confident | 75 Ų | 75 | 74.6 Ų | 74.6 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -142.5 | 152.7 | -176 | -58.7 | -172 | 31.7 | 0 | 0 | 109.5 | L211 Y215 | L211-Q213 VanDerWaalsContact C-N 3.29Å; L211-Q213 WeakPolarHBondContact CB-O 3.13Å; L211-Q213 PolarHBondContact O-N 3.48Å; Q213-Y215 HydrophobicContact CB-CD1 3.84Å; Q213-Y215 HydrophobicContact CB-CE1 3.45Å; Q213-Y215 VanDerWaalsContact CB-CE1 3.45Å; Q213-Y215 VanDerWaalsContact CD-OH 3.3Å; Q213-Y215 HydrophobicContact CG-CE1 4.18Å; Q213-Y215 PolarHBondContact O-N 2.84Å; Q213-Y215 PolarHBondContact OE1-OH 2.98Å |
| 214 | P | 87.7 | Confident | 87.8 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -78.7 | 39 | -173.6 | 33.8 | -38.2 | 0 | 0 | 0 | 113.5 | P50 V51 V235 Y244 | P50-P214 HydrophobicContact CG-CB 4.38Å; P50-P214 HydrophobicContact CG-CG 4.2Å; V51-P214 HydrophobicContact CG2-CG 4.23Å; P214-V235 HydrophobicContact CB-CG1 3.74Å; P214-Y244 HydrophobicContact CB-CD1 3.84Å; P214-Y244 HydrophobicContact CB-CE1 4.1Å; P214-Y244 HydrophobicContact CB-CG 4.19Å; P214-Y244 HydrophobicContact CG-CE1 4.38Å |
| 215 | Y | 87.1 | Confident | 88 | Confident | 63 Ų | 63 | 70 Ų | 70 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -152.1 | 158.9 | 177.5 | 64 | -93.5 | 0 | 0 | 0 | 111.5 | Q213 R305 | Q213-Y215 HydrophobicContact CB-CD1 3.84Å; Q213-Y215 HydrophobicContact CB-CE1 3.45Å; Q213-Y215 VanDerWaalsContact CB-CE1 3.45Å; Q213-Y215 VanDerWaalsContact CD-OH 3.3Å; Q213-Y215 HydrophobicContact CG-CE1 4.18Å; Q213-Y215 PolarHBondContact O-N 2.84Å; Q213-Y215 PolarHBondContact OE1-OH 2.98Å; Y215-R305 HydrophobicContact CE1-CG 4.42Å |
| 216 | C | 85.5 | Confident | 87.9 | Confident | 9 Ų | 9 | 80.9 Ų | 80.9 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | trans | -92 | 140.2 | 175 | -71.4 | 0 | 0 | 0 | 0 | 110.8 | C190 R218 F219 L246 | C190-C216 HydrophobicContact CB-CB 3.82Å; C190-C216 WeakPolarHBondContact CB-SG 3.36Å; C190-C216 WeakPolarHBondContact SG-CB 3.39Å; C190-C216 CovalentContact SG-SG 2.01Å; C190-C216 PolarHBondContact SG-SG 3.29Å; C216-R218 VanDerWaalsContact C-N 3.25Å; C216-R218 PolarHBondContact O-N 3.18Å; C216-F219 HydrophobicContact CB-CD1 4.4Å; C216-F219 HydrophobicContact CB-CE1 3.97Å; C216-F219 HydrophobicContact CB-CZ 4.16Å; C216-F219 WeakPolarHBondContact O-CE2 3.46Å; C216-L246 HydrophobicContact CB-CD2 4.38Å; C216-L246 WeakPolarHBondContact SG-CD2 3.36Å | ||
| 217 | Q | 83.9 | Confident | 87.7 | Confident | 185 Ų | 185 | 83.5 Ų | 83.5 | 86% | 0.864 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -69.3 | -29.1 | 176.7 | -65.3 | -176.3 | 3.1 | 0 | 0 | 112 | ||
| 218 | R | 87.4 | Confident | 87.8 | Confident | 198 Ų | 198 | 83.1 Ų | 83.1 | 75% | 0.747 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -134.9 | 138.6 | -179.5 | -67.6 | -176.8 | -177.4 | 174.6 | 1.5 | 109.5 | A191 C216 | A191-R218 HydrophobicContact CB-CB 3.61Å; A191-R218 PolarHBondContact N-O 3.23Å; C216-R218 VanDerWaalsContact C-N 3.25Å; C216-R218 PolarHBondContact O-N 3.18Å |
| 219 | F | 89.2 | Confident | 87.8 | Confident | 52 Ų | 52 | 85.6 Ų | 85.6 | 23% | 0.228 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 144.5 | 178.3 | -65.3 | -81.1 | 0 | 0 | 0 | 110 | Y188 V189 C216 K248 F302 A303 | Y188-F219 HydrophobicContact CD1-CB 3.74Å; Y188-F219 HydrophobicContact CD1-CG 4.47Å; Y188-F219 HydrophobicContact CE1-CB 4.27Å; Y188-F219 HydrophobicContact CG-CB 4.33Å; V189-F219 WeakPolarHBondContact O-CA 3.35Å; C216-F219 HydrophobicContact CB-CD1 4.4Å; C216-F219 HydrophobicContact CB-CE1 3.97Å; C216-F219 HydrophobicContact CB-CZ 4.16Å; C216-F219 WeakPolarHBondContact O-CE2 3.46Å; F219-K248 HydrophobicContact CD1-CD 4.42Å; F219-K248 HydrophobicContact CE1-CD 3.85Å; F219-F302 HydrophobicContact CD2-CD2 4.38Å; F219-F302 AromaticContact CD2-CE2 3.93Å; F219-F302 HydrophobicContact CD2-CE2 3.93Å; F219-F302 HydrophobicContact CE2-CD2 4.48Å; F219-F302 HydrophobicContact CE2-CE2 4.1Å; F219-A303 WeakPolarHBondContact CZ-O 3.49Å |
| 220 | E | 90.6 | Very high | 88 | Confident | 71 Ų | 71 | 84.9 Ų | 84.9 | 33% | 0.332 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 146.2 | 169.8 | -78.5 | 168.1 | -153.3 | 0 | 0 | 109 | Y188 V189 A191 R206 | Y188-E220 CarbonylContact C-O 3.59Å; Y188-E220 WeakPolarHBondContact CA-O 3.49Å; V189-E220 HydrophobicContact CG2-CB 3.82Å; V189-E220 PolarHBondContact N-O 3.02Å; V189-E220 PolarHBondContact O-N 3.45Å; A191-E220 VanDerWaalsContact CA-OE1 3.28Å; A191-E220 WeakPolarHBondContact CA-OE1 3.06Å; A191-E220 HydrophobicContact CB-CG 3.79Å; A191-E220 VanDerWaalsContact CB-OE1 3.25Å; A191-E220 WeakPolarHBondContact CB-OE1 3.04Å; R206-E220 IonicContact CZ-OE2 3.31Å; R206-E220 IonicContact NH1-OE1 3.44Å; R206-E220 IonicContact NH1-OE2 2.91Å; R206-E220 PolarHBondContact NH1-OE2 3.29Å; R206-E220 IonicContact NH2-OE2 2.69Å; R206-E220 PolarHBondContact NH2-OE2 2.01Å |
| 221 | K | 92.2 | Very high | 88.3 | Confident | 102 Ų | 102 | 81.7 Ų | 81.7 | 44% | 0.443 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 134.5 | 174.2 | -59 | 179.4 | -170.6 | 176.7 | 0 | 108.7 | D112 Y188 L299 | D112-K221 IonicContact OD2-NZ 3.94Å; D112-K221 PolarHBondContact OD2-NZ 3.47Å; Y188-K221 HydrophobicContact CD1-CG 4.13Å; Y188-K221 HydrophobicContact CE1-CG 3.69Å; K221-L299 HydrophobicContact CB-CD2 4.38Å; K221-L299 HydrophobicContact CD-CD1 4.16Å; K221-L299 HydrophobicContact CD-CD2 4.29Å; K221-L299 HydrophobicContact CG-CD2 3.98Å |
| 222 | V | 91.7 | Very high | 88.6 | Confident | 18 Ų | 18 | 81.1 Ų | 81.1 | 11% | 0.109 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 149.1 | 172.2 | -63.8 | 0 | 0 | 0 | 0 | 110.1 | K186 C187 V189 N204 | K186-V222 WeakPolarHBondContact CA-O 3.29Å; C187-V222 HydrophobicContact CB-CG2 4.34Å; C187-V222 PolarHBondContact N-O 2.9Å; C187-V222 WeakPolarHBondContact O-CG2 3Å; C187-V222 PolarHBondContact O-N 2.95Å; V189-V222 HydrophobicContact CB-CG1 4.37Å; V189-V222 HydrophobicContact CG1-CB 4.35Å; V189-V222 HydrophobicContact CG1-CG1 3.79Å; V189-V222 HydrophobicContact CG1-CG2 3.6Å; V189-V222 HydrophobicContact CG2-CG1 3.63Å; N204-V222 HydrophobicContact CB-CB 4.46Å; N204-V222 HydrophobicContact CB-CG2 4.2Å |
| 223 | Y | 92 | Very high | 88.8 | Confident | 133 Ų | 133 | 70.3 Ų | 70.3 | 52% | 0.522 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122.8 | 171.4 | -69.6 | -93.8 | 0 | 0 | 0 | 107.5 | K186 N204 | K186-Y223 HydrophobicContact CD-CD1 4.32Å; K186-Y223 HydrophobicContact CD-CE1 3.87Å; K186-Y223 HydrophobicContact CG-CD1 4.04Å; K186-Y223 HydrophobicContact CG-CE1 4.11Å; K186-Y223 PolarHBondContact NZ-OH 2.64Å; K186-Y223 VanDerWaalsContact NZ-OH 3.08Å; N204-Y223 VanDerWaalsContact CG-O 3.29Å; N204-Y223 PolarHBondContact ND2-O 2.97Å; N204-Y223 VanDerWaalsContact ND2-O 3.14Å; N204-Y223 PolarHBondContact OD1-O 3.38Å |
| 224 | C | 90.5 | Very high | 88.9 | Confident | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.034 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 148.8 | 177.1 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | L185 C187 Q228 C250 | L185-C224 HydrophobicContact CB-CB 4.05Å; L185-C224 VanDerWaalsContact O-CB 3.24Å; L185-C224 WeakPolarHBondContact O-CB 3.45Å; L185-C224 PolarHBondContact O-N 3.5Å; L185-C224 PolarHBondContact O-SG 3.49Å; C187-C224 PolarHBondContact SG-SG 3.09Å; C224-Q228 HydrophobicContact CB-CB 3.8Å; C224-C250 WeakPolarHBondContact CA-SG 3.08Å; C224-C250 HydrophobicContact CB-CB 3.67Å; C224-C250 WeakPolarHBondContact CB-SG 3.37Å; C224-C250 WeakPolarHBondContact SG-CB 3.48Å; C224-C250 CovalentContact SG-SG 2.04Å; C224-C250 PolarHBondContact SG-SG 3.17Å |
| 225 | D | 88.5 | Confident | 89 | Confident | 72 Ų | 72 | 67.7 Ų | 67.7 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 164.7 | 173 | -64.6 | -53.1 | 0 | 0 | 0 | 111 | N204 D227 Q228 | N204-D225 PolarHBondContact ND2-OD2 3.26Å; D225-D227 WeakPolarHBondContact CB-OD1 3.39Å; D225-D227 PolarHBondContact O-N 3.03Å; D225-D227 VanDerWaalsContact O-N 3.15Å; D225-Q228 HydrophobicContact CB-CG 4.29Å; D225-Q228 WeakPolarHBondContact O-CB 3.34Å; D225-Q228 PolarHBondContact O-N 2.91Å |
| 226 | R | 84.9 | Confident | 89 | Confident | 261 Ų | 261 | 65.1 Ų | 65.1 | 99% | 0.985 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -23.7 | -173.6 | -67.5 | -176.6 | 178.9 | -175.2 | 0.3 | 113.7 | ||
| 227 | D | 85.4 | Confident | 89.1 | Confident | 104 Ų | 104 | 67.6 Ų | 67.6 | 56% | 0.556 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -12.1 | 177.5 | 62.8 | -39.4 | 0 | 0 | 0 | 112.9 | D225 S252 | D225-D227 WeakPolarHBondContact CB-OD1 3.39Å; D225-D227 PolarHBondContact O-N 3.03Å; D225-D227 VanDerWaalsContact O-N 3.15Å; D227-S252 WeakPolarHBondContact O-CB 2.95Å; D227-S252 PolarHBondContact O-OG 2.91Å |
| 228 | Q | 88.7 | Confident | 89.1 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 12% | 0.121 | 26% | 0.259 | C | S | . | . | trans | -96.7 | 108.2 | -179.4 | -66 | 174.8 | -18.9 | 0 | 0 | 110.4 | D203 C224 D225 C250 T251 | D203-Q228 PolarHBondContact O-NE2 3.34Å; C224-Q228 HydrophobicContact CB-CB 3.8Å; D225-Q228 HydrophobicContact CB-CG 4.29Å; D225-Q228 WeakPolarHBondContact O-CB 3.34Å; D225-Q228 PolarHBondContact O-N 2.91Å; Q228-C250 HydrophobicContact CB-CB 3.98Å; Q228-C250 VanDerWaalsContact CD-CB 3.44Å; Q228-C250 HydrophobicContact CG-CB 4.17Å; Q228-T251 CarbonylContact C-O 3.59Å; Q228-T251 VanDerWaalsContact CA-O 3.3Å; Q228-T251 WeakPolarHBondContact CA-O 3.41Å | ||
| 229 | N | 87.4 | Confident | 88.8 | Confident | 63 Ų | 63 | 54.8 Ų | 54.8 | 34% | 0.337 | 24% | 0.244 | S | C | . | . | trans | -111.8 | 7.9 | -173.7 | 65.7 | -10.2 | 0 | 0 | 0 | 113.9 | L185 T251 V253 | L185-N229 VanDerWaalsContact CD2-C 3.48Å; N229-T251 PolarHBondContact N-O 2.83Å; N229-T251 VanDerWaalsContact N-O 3.1Å; N229-V253 PolarHBondContact ND2-O 2.88Å; N229-V253 PolarHBondContact OD1-N 3.43Å; N229-V253 PolarHBondContact OD1-O 3.15Å | ||
| 230 | A | 89.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 150.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | T251 V253 L294 C295 | A230-T251 HydrophobicContact CB-CG2 4.05Å; A230-T251 PolarHBondContact N-O 2.64Å; A230-T251 VanDerWaalsContact N-O 3.11Å; A230-T251 PolarHBondContact O-N 3.4Å; A230-V253 HydrophobicContact CB-CG2 3.98Å; A230-L294 HydrophobicContact CB-CD2 4.42Å; A230-C295 CarbonylContact C-O 3.58Å; A230-C295 WeakPolarHBondContact CA-O 3.36Å |
| 231 | C | 92.4 | Very high | 88 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 135.7 | 164.5 | -57.4 | 0 | 0 | 0 | 0 | 110.4 | K186 C187 G249 L294 C295 N301 | K186-C231 PolarHBondContact O-SG 3.2Å; C187-C231 VanDerWaalsContact CA-SG 3.54Å; C187-C231 HydrophobicContact CB-CB 3.84Å; C187-C231 WeakPolarHBondContact CB-SG 3.23Å; C187-C231 WeakPolarHBondContact SG-CA 3.44Å; C187-C231 WeakPolarHBondContact SG-CB 3.45Å; C187-C231 CovalentContact SG-SG 2.03Å; C187-C231 PolarHBondContact SG-SG 3.46Å; C231-G249 CarbonylContact C-O 3.48Å; C231-G249 WeakPolarHBondContact CA-O 3.42Å; C231-L294 WeakPolarHBondContact O-CA 3.05Å; C231-C295 PolarHBondContact N-O 3.29Å; C231-C295 PolarHBondContact O-N 2.92Å; C231-C295 VanDerWaalsContact O-N 3.07Å; C231-N301 HydrophobicContact CB-CB 3.74Å |
| 232 | L | 91.3 | Very high | 87.7 | Confident | 20 Ų | 20 | 61.6 Ų | 61.6 | 11% | 0.105 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 142.7 | -179.4 | 178.4 | 61.6 | 0 | 0 | 0 | 110.7 | F205 I234 K248 G249 T251 V292 L294 N301 | F205-L232 HydrophobicContact CD2-CD2 4.09Å; F205-L232 HydrophobicContact CE2-CD2 3.63Å; F205-L232 HydrophobicContact CE2-CG 4.04Å; F205-L232 HydrophobicContact CZ-CD2 4.23Å; L232-I234 HydrophobicContact CD1-CD1 4.22Å; L232-I234 HydrophobicContact CD1-CG1 3.83Å; L232-I234 HydrophobicContact CD2-CD1 3.85Å; L232-I234 HydrophobicContact CD2-CG1 4.21Å; L232-I234 HydrophobicContact CG-CD1 4.19Å; L232-I234 HydrophobicContact CG-CG1 3.97Å; L232-K248 WeakPolarHBondContact O-CA 3.37Å; L232-G249 PolarHBondContact N-O 3.17Å; L232-G249 PolarHBondContact O-N 3.44Å; L232-T251 HydrophobicContact CB-CG2 3.79Å; L232-T251 HydrophobicContact CD2-CG2 4.4Å; L232-V292 HydrophobicContact CD1-CG1 3.7Å; L232-L294 HydrophobicContact CB-CD2 4.19Å; L232-L294 HydrophobicContact CD1-CD2 3.65Å; L232-L294 HydrophobicContact CD1-CG 4.22Å; L232-L294 HydrophobicContact CG-CD2 4.5Å; L232-N301 PolarHBondContact O-ND2 3.06Å |
| 233 | T | 91.3 | Very high | 87.6 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 126.2 | 163.3 | -65.3 | 0 | 0 | 0 | 0 | 109.1 | V235 L246 G247 K248 V292 C293 | T233-V235 HydrophobicContact CG2-CG2 4.16Å; T233-L246 HydrophobicContact CG2-CD1 4Å; T233-G247 CarbonylContact C-O 3.59Å; T233-G247 VanDerWaalsContact CA-O 3.31Å; T233-G247 WeakPolarHBondContact CA-O 3.3Å; T233-K248 HydrophobicContact CG2-CG 4.21Å; T233-K248 VanDerWaalsContact CG2-NZ 3.3Å; T233-K248 PolarHBondContact OG1-NZ 2.74Å; T233-V292 CarbonylContact O-C 3.59Å; T233-V292 WeakPolarHBondContact O-CA 3.02Å; T233-C293 PolarHBondContact N-O 2.92Å; T233-C293 PolarHBondContact O-N 3.22Å |
| 234 | I | 89.7 | Confident | 87.3 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 122 | 174.9 | -63.7 | 176.9 | 0 | 0 | 0 | 107.3 | F205 L232 L246 G247 Q290 D291 V292 | F205-I234 HydrophobicContact CZ-CD1 4.11Å; L232-I234 HydrophobicContact CD1-CD1 4.22Å; L232-I234 HydrophobicContact CD1-CG1 3.83Å; L232-I234 HydrophobicContact CD2-CD1 3.85Å; L232-I234 HydrophobicContact CD2-CG1 4.21Å; L232-I234 HydrophobicContact CG-CD1 4.19Å; L232-I234 HydrophobicContact CG-CG1 3.97Å; I234-L246 CarbonylContact O-C 3.52Å; I234-L246 VanDerWaalsContact O-CA 3.32Å; I234-L246 WeakPolarHBondContact O-CA 3.48Å; I234-G247 PolarHBondContact N-O 2.75Å; I234-G247 PolarHBondContact O-N 2.83Å; I234-Q290 HydrophobicContact CG2-CG 3.83Å; I234-Q290 VanDerWaalsContact CG2-NE2 3.25Å; I234-D291 CarbonylContact C-O 3.58Å; I234-D291 WeakPolarHBondContact CA-O 3.43Å; I234-V292 HydrophobicContact CG1-CG1 4.25Å; I234-V292 HydrophobicContact CG1-CG2 4.28Å |
| 235 | V | 89.7 | Confident | 87.3 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 116.8 | 171.5 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | P214 T233 Y244 W245 L246 Q290 D291 | P214-V235 HydrophobicContact CB-CG1 3.74Å; T233-V235 HydrophobicContact CG2-CG2 4.16Å; V235-Y244 HydrophobicContact CG1-CD1 4.06Å; V235-W245 CarbonylContact C-O 3.51Å; V235-W245 WeakPolarHBondContact CA-O 2.98Å; V235-L246 HydrophobicContact CG2-CD1 3.82Å; V235-Q290 CarbonylContact O-C 3.55Å; V235-Q290 VanDerWaalsContact O-CA 3.28Å; V235-Q290 WeakPolarHBondContact O-CA 3.27Å; V235-D291 HydrophobicContact CB-CB 4.38Å; V235-D291 PolarHBondContact N-O 2.9Å; V235-D291 PolarHBondContact O-N 3.46Å |
| 236 | T | 87.7 | Confident | 87.3 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.5 | 172.3 | -52.3 | 0 | 0 | 0 | 0 | 108.7 | L238 Y244 W245 T288 V289 Q290 | T236-L238 HydrophobicContact CG2-CD1 3.93Å; T236-Y244 CarbonylContact O-C 3.51Å; T236-Y244 VanDerWaalsContact O-CA 3.29Å; T236-Y244 WeakPolarHBondContact O-CA 3.34Å; T236-W245 PolarHBondContact N-O 2.01Å; T236-W245 PolarHBondContact O-N 2.83Å; T236-T288 HydrophobicContact CG2-CG2 3.97Å; T236-V289 WeakPolarHBondContact CA-O 3.44Å; T236-Q290 PolarHBondContact OG1-NE2 3.34Å |
| 237 | F | 86.5 | Confident | 87.6 | Confident | 60 Ų | 60 | 43.4 Ų | 43.4 | 26% | 0.263 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.9 | 171 | 178.8 | -115.4 | 0 | 0 | 0 | 110.3 | R239 Y244 V289 | F237-R239 HydrophobicContact CD1-CG 4.16Å; F237-R239 HydrophobicContact CE1-CG 3.95Å; F237-Y244 HydrophobicContact CB-CD1 4.03Å; F237-Y244 HydrophobicContact CB-CE1 3.93Å; F237-Y244 AromaticContact CD2-CD1 3.75Å; F237-Y244 HydrophobicContact CD2-CD1 3.75Å; F237-Y244 HydrophobicContact CD2-CD2 4.34Å; F237-Y244 AromaticContact CD2-CE1 3.38Å; F237-Y244 HydrophobicContact CD2-CE1 3.38Å; F237-Y244 HydrophobicContact CD2-CE2 4.03Å; F237-Y244 HydrophobicContact CD2-CG 4.22Å; F237-Y244 AromaticContact CD2-CZ 3.53Å; F237-Y244 HydrophobicContact CE2-CE1 4.2Å; F237-Y244 HydrophobicContact CE2-CE2 4.17Å; F237-Y244 AromaticContact CE2-CZ 3.87Å; F237-Y244 HydrophobicContact CG-CD1 4.34Å; F237-Y244 AromaticContact CG-CE1 3.94Å; F237-Y244 HydrophobicContact CG-CE1 3.94Å; F237-V289 PolarHBondContact N-O 2.89Å; F237-V289 PolarHBondContact O-N 3.39Å |
| 238 | L | 83.9 | Confident | 88 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 113.7 | 176 | -80.5 | 75.4 | 0 | 0 | 0 | 109 | T236 E240 S241 R242 T243 W245 E271 T288 | T236-L238 HydrophobicContact CG2-CD1 3.93Å; L238-E240 PolarHBondContact O-N 2.69Å; L238-S241 VanDerWaalsContact CB-OG 3.26Å; L238-S241 WeakPolarHBondContact CB-OG 3.09Å; L238-R242 VanDerWaalsContact O-CA 3.25Å; L238-R242 WeakPolarHBondContact O-CA 3.14Å; L238-R242 PolarHBondContact O-N 2.92Å; L238-T243 PolarHBondContact N-O 3.1Å; L238-T243 PolarHBondContact O-N 2.79Å; L238-W245 HydrophobicContact CD1-CD2 3.65Å; L238-W245 HydrophobicContact CD1-CE3 4.14Å; L238-W245 HydrophobicContact CD1-CG 3.86Å; L238-W245 HydrophobicContact CD1-CH2 4.43Å; L238-W245 HydrophobicContact CD1-CZ2 4.08Å; L238-W245 HydrophobicContact CD1-CZ3 4.49Å; L238-W245 HydrophobicContact CD2-CD2 4.45Å; L238-W245 HydrophobicContact CD2-CH2 3.96Å; L238-W245 HydrophobicContact CD2-CZ2 3.36Å; L238-W245 HydrophobicContact CG-CZ2 4.35Å; L238-E271 WeakPolarHBondContact CD2-OE1 3.35Å; L238-T288 HydrophobicContact CD1-CG2 4.48Å; L238-T288 HydrophobicContact CG-CG2 4.2Å |
| 239 | R | 81.3 | Confident | 88.2 | Confident | 114 Ų | 114 | 37.2 Ų | 37.2 | 43% | 0.43 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -37.4 | -176.8 | -73.6 | -177 | 172.7 | 169.8 | -2.3 | 112.9 | F237 D287 | F237-R239 HydrophobicContact CD1-CG 4.16Å; F237-R239 HydrophobicContact CE1-CG 3.95Å; R239-D287 IonicContact NH1-OD2 3.14Å; R239-D287 PolarHBondContact NH1-OD2 3.34Å; R239-D287 VanDerWaalsContact NH1-OD2 3.14Å |
| 240 | E | 79.8 | Confident | 88.4 | Confident | 107 Ų | 107 | 34.5 Ų | 34.5 | 50% | 0.5 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -51.1 | -175.2 | -64.7 | 179.4 | -159.7 | 0 | 0 | 111.9 | L238 G286 | L238-E240 PolarHBondContact O-N 2.69Å; E240-G286 VanDerWaalsContact OE1-CA 3.27Å; E240-G286 WeakPolarHBondContact OE1-CA 3.45Å |
| 241 | S | 83.8 | Confident | 88.4 | Confident | 58 Ų | 58 | 36.2 Ų | 36.2 | 41% | 0.406 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -14.7 | 178.9 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | L238 T243 | L238-S241 VanDerWaalsContact CB-OG 3.26Å; L238-S241 WeakPolarHBondContact CB-OG 3.09Å; S241-T243 WeakPolarHBondContact CB-OG1 3.47Å; S241-T243 PolarHBondContact O-N 3.2Å; S241-T243 PolarHBondContact OG-N 3.11Å; S241-T243 PolarHBondContact OG-OG1 2.83Å |
| 242 | R | 86.3 | Confident | 88.2 | Confident | 203 Ų | 203 | 39.5 Ų | 39.5 | 77% | 0.766 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 32 | -166.5 | -55.9 | -177.1 | 175.9 | -167.4 | -2.2 | 112.6 | L238 | L238-R242 VanDerWaalsContact O-CA 3.25Å; L238-R242 WeakPolarHBondContact O-CA 3.14Å; L238-R242 PolarHBondContact O-N 2.92Å |
| 243 | T | 88.2 | Confident | 87.8 | Confident | 23 Ų | 23 | 39.2 Ų | 39.2 | 14% | 0.141 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 161 | 177 | 63 | 0 | 0 | 0 | 0 | 111.8 | D210 L238 S241 | D210-T243 PolarHBondContact OD1-OG1 2.03Å; L238-T243 PolarHBondContact N-O 3.1Å; L238-T243 PolarHBondContact O-N 2.79Å; S241-T243 WeakPolarHBondContact CB-OG1 3.47Å; S241-T243 PolarHBondContact O-N 3.2Å; S241-T243 PolarHBondContact OG-N 3.11Å; S241-T243 PolarHBondContact OG-OG1 2.83Å |
| 244 | Y | 87.5 | Confident | 87.2 | Confident | 63 Ų | 63 | 41.8 Ų | 41.8 | 25% | 0.247 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 140.7 | 174.9 | -62.9 | -90.7 | 0 | 0 | 0 | 109.7 | D210 L211 P214 V235 T236 F237 | D210-Y244 PolarHBondContact N-O 3.27Å; L211-Y244 VanDerWaalsContact CB-O 3.32Å; L211-Y244 WeakPolarHBondContact CB-O 3.31Å; L211-Y244 PolarHBondContact N-O 2.87Å; L211-Y244 PolarHBondContact O-N 3.39Å; P214-Y244 HydrophobicContact CB-CD1 3.84Å; P214-Y244 HydrophobicContact CB-CE1 4.1Å; P214-Y244 HydrophobicContact CB-CG 4.19Å; P214-Y244 HydrophobicContact CG-CE1 4.38Å; V235-Y244 HydrophobicContact CG1-CD1 4.06Å; T236-Y244 CarbonylContact O-C 3.51Å; T236-Y244 VanDerWaalsContact O-CA 3.29Å; T236-Y244 WeakPolarHBondContact O-CA 3.34Å; F237-Y244 HydrophobicContact CB-CD1 4.03Å; F237-Y244 HydrophobicContact CB-CE1 3.93Å; F237-Y244 AromaticContact CD2-CD1 3.75Å; F237-Y244 HydrophobicContact CD2-CD1 3.75Å; F237-Y244 HydrophobicContact CD2-CD2 4.34Å; F237-Y244 AromaticContact CD2-CE1 3.38Å; F237-Y244 HydrophobicContact CD2-CE1 3.38Å; F237-Y244 HydrophobicContact CD2-CE2 4.03Å; F237-Y244 HydrophobicContact CD2-CG 4.22Å; F237-Y244 AromaticContact CD2-CZ 3.53Å; F237-Y244 HydrophobicContact CE2-CE1 4.2Å; F237-Y244 HydrophobicContact CE2-CE2 4.17Å; F237-Y244 AromaticContact CE2-CZ 3.87Å; F237-Y244 HydrophobicContact CG-CD1 4.34Å; F237-Y244 AromaticContact CG-CE1 3.94Å; F237-Y244 HydrophobicContact CG-CE1 3.94Å |
| 245 | W | 89.1 | Confident | 86.1 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 6% | 0.064 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 136.4 | 162.4 | -60.5 | -4.7 | 0 | 0 | 0 | 108.8 | I28 T208 I209 V235 T236 L238 | I28-W245 HydrophobicContact CD1-CH2 3.19Å; I28-W245 HydrophobicContact CD1-CZ2 3.56Å; I28-W245 HydrophobicContact CD1-CZ3 3.76Å; I28-W245 HydrophobicContact CG1-CH2 4.29Å; I28-W245 HydrophobicContact CG2-CH2 3.77Å; I28-W245 HydrophobicContact CG2-CZ3 3.79Å; T208-W245 CarbonylContact O-C 3.31Å; T208-W245 WeakPolarHBondContact O-CA 3.49Å; I209-W245 HydrophobicContact CB-CD2 4.46Å; I209-W245 HydrophobicContact CB-CG 4.15Å; I209-W245 HydrophobicContact CG2-CD2 3.97Å; I209-W245 HydrophobicContact CG2-CG 3.92Å; V235-W245 CarbonylContact C-O 3.51Å; V235-W245 WeakPolarHBondContact CA-O 2.98Å; T236-W245 PolarHBondContact N-O 2.01Å; T236-W245 PolarHBondContact O-N 2.83Å; L238-W245 HydrophobicContact CD1-CD2 3.65Å; L238-W245 HydrophobicContact CD1-CE3 4.14Å; L238-W245 HydrophobicContact CD1-CG 3.86Å; L238-W245 HydrophobicContact CD1-CH2 4.43Å; L238-W245 HydrophobicContact CD1-CZ2 4.08Å; L238-W245 HydrophobicContact CD1-CZ3 4.49Å; L238-W245 HydrophobicContact CD2-CD2 4.45Å; L238-W245 HydrophobicContact CD2-CH2 3.96Å; L238-W245 HydrophobicContact CD2-CZ2 3.36Å; L238-W245 HydrophobicContact CG-CZ2 4.35Å |
| 246 | L | 89.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 109.4 | -176.4 | 178.2 | 60.4 | 0 | 0 | 0 | 110.2 | V207 T208 L211 C216 T233 I234 V235 K248 | V207-L246 CarbonylContact C-O 3.54Å; V207-L246 WeakPolarHBondContact CA-O 3.43Å; T208-L246 PolarHBondContact N-O 3.36Å; T208-L246 PolarHBondContact O-N 2.82Å; L211-L246 HydrophobicContact CD1-CB 3.45Å; L211-L246 VanDerWaalsContact CD1-CB 3.45Å; L211-L246 HydrophobicContact CD1-CD2 4.06Å; L211-L246 HydrophobicContact CD1-CG 4.4Å; C216-L246 HydrophobicContact CB-CD2 4.38Å; C216-L246 WeakPolarHBondContact SG-CD2 3.36Å; T233-L246 HydrophobicContact CG2-CD1 4Å; I234-L246 CarbonylContact O-C 3.52Å; I234-L246 VanDerWaalsContact O-CA 3.32Å; I234-L246 WeakPolarHBondContact O-CA 3.48Å; V235-L246 HydrophobicContact CG2-CD1 3.82Å; L246-K248 HydrophobicContact CD1-CD 4.46Å; L246-K248 HydrophobicContact CD1-CG 4.08Å; L246-K248 HydrophobicContact CG-CG 4.27Å |
| 247 | G | 90.8 | Very high | 83.5 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 129.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111 | R206 T233 I234 | R206-G247 CarbonylContact O-C 3.58Å; R206-G247 WeakPolarHBondContact O-CA 3.41Å; T233-G247 CarbonylContact C-O 3.59Å; T233-G247 VanDerWaalsContact CA-O 3.31Å; T233-G247 WeakPolarHBondContact CA-O 3.3Å; I234-G247 PolarHBondContact N-O 2.75Å; I234-G247 PolarHBondContact O-N 2.83Å |
| 248 | K | 93.1 | Very high | 82.2 | Confident | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 144.7 | 170.6 | -74.5 | -173.8 | 173.9 | -70 | 0 | 110.7 | Y188 V189 F205 R206 F219 L232 T233 L246 N301 | Y188-K248 WeakPolarHBondContact O-CB 3.48Å; V189-K248 WeakPolarHBondContact CG1-O 3.24Å; F205-K248 VanDerWaalsContact CD2-C 3.49Å; F205-K248 WeakPolarHBondContact CD2-O 3.12Å; R206-K248 PolarHBondContact N-O 3.03Å; R206-K248 PolarHBondContact O-N 3.07Å; F219-K248 HydrophobicContact CD1-CD 4.42Å; F219-K248 HydrophobicContact CE1-CD 3.85Å; L232-K248 WeakPolarHBondContact O-CA 3.37Å; T233-K248 HydrophobicContact CG2-CG 4.21Å; T233-K248 VanDerWaalsContact CG2-NZ 3.3Å; T233-K248 PolarHBondContact OG1-NZ 2.74Å; L246-K248 HydrophobicContact CD1-CD 4.46Å; L246-K248 HydrophobicContact CD1-CG 4.08Å; L246-K248 HydrophobicContact CG-CG 4.27Å; K248-N301 PolarHBondContact NZ-O 2.56Å |
| 249 | G | 93.1 | Very high | 81.1 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159 | -155.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N204 C231 L232 | N204-G249 CarbonylContact O-C 3.46Å; N204-G249 WeakPolarHBondContact O-CA 3.2Å; C231-G249 CarbonylContact C-O 3.48Å; C231-G249 WeakPolarHBondContact CA-O 3.42Å; L232-G249 PolarHBondContact N-O 3.17Å; L232-G249 PolarHBondContact O-N 3.44Å |
| 250 | C | 91.8 | Very high | 80.6 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.034 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 149.9 | 178 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | N204 C224 Q228 | N204-C250 HydrophobicContact CB-CB 3.92Å; N204-C250 PolarHBondContact O-N 3.14Å; C224-C250 WeakPolarHBondContact CA-SG 3.08Å; C224-C250 HydrophobicContact CB-CB 3.67Å; C224-C250 WeakPolarHBondContact CB-SG 3.37Å; C224-C250 WeakPolarHBondContact SG-CB 3.48Å; C224-C250 CovalentContact SG-SG 2.04Å; C224-C250 PolarHBondContact SG-SG 3.17Å; Q228-C250 HydrophobicContact CB-CB 3.98Å; Q228-C250 VanDerWaalsContact CD-CB 3.44Å; Q228-C250 HydrophobicContact CG-CB 4.17Å |
| 251 | T | 90.2 | Very high | 80.6 | Confident | 37 Ų | 37 | 57.5 Ų | 57.5 | 23% | 0.227 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 165.1 | 173.3 | -167.6 | 0 | 0 | 0 | 0 | 110.6 | Q228 N229 A230 L232 V253 L294 | Q228-T251 CarbonylContact C-O 3.59Å; Q228-T251 VanDerWaalsContact CA-O 3.3Å; Q228-T251 WeakPolarHBondContact CA-O 3.41Å; N229-T251 PolarHBondContact N-O 2.83Å; N229-T251 VanDerWaalsContact N-O 3.1Å; A230-T251 HydrophobicContact CB-CG2 4.05Å; A230-T251 PolarHBondContact N-O 2.64Å; A230-T251 VanDerWaalsContact N-O 3.11Å; A230-T251 PolarHBondContact O-N 3.4Å; L232-T251 HydrophobicContact CB-CG2 3.79Å; L232-T251 HydrophobicContact CD2-CG2 4.4Å; T251-V253 HydrophobicContact CG2-CG2 4.11Å; T251-L294 HydrophobicContact CG2-CD2 3.52Å |
| 252 | S | 86.5 | Confident | 80.6 | Confident | 69 Ų | 69 | 58 Ų | 58 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | trans | -104.1 | 134.6 | 172.4 | -166.2 | 0 | 0 | 0 | 0 | 109.9 | D227 | D227-S252 WeakPolarHBondContact O-CB 2.95Å; D227-S252 PolarHBondContact O-OG 2.91Å | ||
| 253 | V | 83.6 | Confident | 80.3 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 9% | 0.085 | 32% | 0.324 | C | S | . | . | trans | -129 | 140.1 | 174.1 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | N229 A230 T251 A257 I259 L294 | N229-V253 PolarHBondContact ND2-O 2.88Å; N229-V253 PolarHBondContact OD1-N 3.43Å; N229-V253 PolarHBondContact OD1-O 3.15Å; A230-V253 HydrophobicContact CB-CG2 3.98Å; T251-V253 HydrophobicContact CG2-CG2 4.11Å; V253-A257 HydrophobicContact CG1-CB 3.64Å; V253-I259 HydrophobicContact CB-CD1 3.47Å; V253-I259 VanDerWaalsContact CB-CD1 3.47Å; V253-I259 HydrophobicContact CB-CG1 4.23Å; V253-I259 HydrophobicContact CB-CG2 4.13Å; V253-I259 HydrophobicContact CG1-CB 4.48Å; V253-I259 HydrophobicContact CG1-CD1 3.49Å; V253-I259 VanDerWaalsContact CG1-CD1 3.49Å; V253-I259 HydrophobicContact CG1-CG1 3.74Å; V253-I259 HydrophobicContact CG1-CG2 3.85Å; V253-I259 HydrophobicContact CG2-CD1 4.16Å; V253-I259 HydrophobicContact CG2-CG2 3.79Å; V253-L294 HydrophobicContact CG2-CD1 4.31Å; V253-L294 HydrophobicContact CG2-CD2 4.18Å | ||
| 254 | A | 78 | Confident | 79.9 | Confident | 59 Ų | 59 | 54.9 Ų | 54.9 | 49% | 0.488 | 34% | 0.342 | S | S | . | . | trans | -53 | 134.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | T256 A257 | A254-T256 PolarHBondContact O-N 3.05Å; A254-A257 PolarHBondContact O-N 3.12Å | ||
| 255 | P | 67 | Low | 79.2 | Confident | 128 Ų | 128 | 54.6 Ų | 54.6 | 83% | 0.831 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -20.3 | -177 | -26.5 | 33 | 0 | 0 | 0 | 115.2 | ||
| 256 | T | 62.2 | Low | 78.3 | Confident | 135 Ų | 135 | 58.1 Ų | 58.1 | 83% | 0.828 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -9 | -178.6 | 53.1 | 0 | 0 | 0 | 0 | 114.1 | A254 | A254-T256 PolarHBondContact O-N 3.05Š|
| 257 | A | 61.5 | Low | 77 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 36% | 0.355 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -81.5 | 132.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | V253 A254 I259 | V253-A257 HydrophobicContact CG1-CB 3.64Å; A254-A257 PolarHBondContact O-N 3.12Å; A257-I259 HydrophobicContact CB-CG1 4.17Å; A257-I259 WeakPolarHBondContact O-CG1 3.01Å; A257-I259 PolarHBondContact O-N 3.37Å |
| 258 | Q | 59.9 | Low | 75.5 | Confident | 202 Ų | 202 | 61.8 Ų | 61.8 | 94% | 0.944 | 40% | 0.404 | S | S | * | . | trans | -81.6 | 108.4 | 166.6 | -74.7 | -177.8 | -12.5 | 0 | 0 | 107.6 | ||||
| 259 | I | 60.7 | Low | 74.1 | Confident | 32 Ų | 32 | 62.2 Ų | 62.2 | 16% | 0.164 | 41% | 0.405 | C | S | . | . | trans | -102.9 | -6.2 | -156.9 | -29.4 | 170.5 | 0 | 0 | 0 | 114.1 | V253 A257 G261 L294 | V253-I259 HydrophobicContact CB-CD1 3.47Å; V253-I259 VanDerWaalsContact CB-CD1 3.47Å; V253-I259 HydrophobicContact CB-CG1 4.23Å; V253-I259 HydrophobicContact CB-CG2 4.13Å; V253-I259 HydrophobicContact CG1-CB 4.48Å; V253-I259 HydrophobicContact CG1-CD1 3.49Å; V253-I259 VanDerWaalsContact CG1-CD1 3.49Å; V253-I259 HydrophobicContact CG1-CG1 3.74Å; V253-I259 HydrophobicContact CG1-CG2 3.85Å; V253-I259 HydrophobicContact CG2-CD1 4.16Å; V253-I259 HydrophobicContact CG2-CG2 3.79Å; A257-I259 HydrophobicContact CB-CG1 4.17Å; A257-I259 WeakPolarHBondContact O-CG1 3.01Å; A257-I259 PolarHBondContact O-N 3.37Å; I259-G261 PolarHBondContact O-N 2.95Å; I259-G261 VanDerWaalsContact O-N 3.17Å; I259-L294 HydrophobicContact CG2-CB 3.46Å; I259-L294 VanDerWaalsContact CG2-CB 3.46Å; I259-L294 HydrophobicContact CG2-CD1 3.53Å; I259-L294 HydrophobicContact CG2-CD2 4.41Å; I259-L294 HydrophobicContact CG2-CG 3.98Å; I259-L294 CarbonylContact O-C 3.56Å; I259-L294 VanDerWaalsContact O-C 3.31Å; I259-L294 WeakPolarHBondContact O-CB 3.35Å | ||
| 260 | S | 69.4 | Low | 72.2 | Confident | 88 Ų | 88 | 66 Ų | 66 | 62% | 0.615 | 42% | 0.422 | S | S | * | . | trans | -83.3 | 103 | -177.9 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 261 | G | 80.5 | Confident | 70.4 | Confident | 27 Ų | 27 | 68.9 Ų | 68.9 | 28% | 0.278 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.6 | 177.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I259 C293 L294 | I259-G261 PolarHBondContact O-N 2.95Å; I259-G261 VanDerWaalsContact O-N 3.17Å; G261-C293 WeakPolarHBondContact O-CA 3.21Å; G261-L294 PolarHBondContact N-O 2.8Å; G261-L294 PolarHBondContact O-N 2.83Å |
| 262 | C | 83.7 | Confident | 68.5 | Low | 69 Ų | 69 | 69.5 Ų | 69.5 | 47% | 0.466 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 138 | 173.5 | -64.6 | 0 | 0 | 0 | 0 | 109.8 | V292 C293 | C262-V292 CarbonylContact C-O 3.52Å; C262-V292 WeakPolarHBondContact CA-O 3.46Å; C262-C293 HydrophobicContact CB-CB 4.08Å; C262-C293 WeakPolarHBondContact CB-SG 3.05Å; C262-C293 WeakPolarHBondContact SG-CB 3.03Å; C262-C293 CovalentContact SG-SG 2.04Å; C262-C293 PolarHBondContact SG-SG 3.48Å |
| 263 | V | 80 | Confident | 66.5 | Low | 86 Ų | 86 | 70 Ų | 70 | 52% | 0.521 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.3 | 172.6 | -176.2 | 0 | 0 | 0 | 0 | 108 | M265 V292 | V263-M265 HydrophobicContact CG1-CE 4.47Å; V263-M265 HydrophobicContact CG1-CG 4.04Å; V263-V292 PolarHBondContact N-O 2.81Å; V263-V292 PolarHBondContact O-N 2.86Å |
| 264 | S | 79.2 | Confident | 64.9 | Low | 74 Ų | 74 | 75.1 Ų | 75.1 | 52% | 0.517 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 126.7 | 172.7 | -58.8 | 0 | 0 | 0 | 0 | 109 | D291 | S264-D291 WeakPolarHBondContact CA-OD1 3.31Å; S264-D291 WeakPolarHBondContact CB-OD1 3.34Å; S264-D291 PolarHBondContact OG-OD1 2.96Å |
| 265 | M | 73.5 | Confident | 63.1 | Low | 58 Ų | 58 | 80 Ų | 80 | 29% | 0.286 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.5 | 178.2 | -67.7 | -179.4 | -87.5 | 0 | 0 | 108.8 | V263 Q290 V292 | V263-M265 HydrophobicContact CG1-CE 4.47Å; V263-M265 HydrophobicContact CG1-CG 4.04Å; M265-Q290 PolarHBondContact N-O 3.15Å; M265-Q290 PolarHBondContact O-N 2.91Å; M265-V292 HydrophobicContact CE-CB 4.04Å; M265-V292 HydrophobicContact CE-CG2 3.57Å |
| 266 | A | 70 | Confident | 62 | Low | 90 Ų | 90 | 81.8 Ų | 81.8 | 74% | 0.744 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 131.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||
| 267 | G | 63.3 | Low | 61.2 | Low | 26 Ų | 26 | 83.6 Ų | 83.6 | 27% | 0.268 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 160.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T288 | G267-T288 PolarHBondContact N-O 3.4Å; G267-T288 PolarHBondContact O-N 3.11Å; G267-T288 PolarHBondContact O-OG1 3.45Å |
| 268 | T | 58.3 | Low | 60.4 | Low | 55 Ų | 55 | 87.7 Ų | 87.7 | 34% | 0.337 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 126.6 | 171.1 | 55.5 | 0 | 0 | 0 | 0 | 109 | G286 | T268-G286 CarbonylContact C-O 3.54Å; T268-G286 WeakPolarHBondContact CA-O 3.37Å |
| 269 | H | 63.8 | Low | 59.6 | Low | 9 Ų | 9 | 81.3 Ų | 81.3 | 4% | 0.042 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 150.7 | 167.3 | 76.3 | -48.7 | 0 | 0 | 0 | 109.9 | E271 S285 G286 T288 | H269-E271 WeakPolarHBondContact CD2-CG 3.39Å; H269-E271 IonicContact CD2-OE1 3.56Å; H269-E271 IonicContact NE2-OE1 3.46Å; H269-E271 PolarHBondContact NE2-OE1 2.78Å; H269-S285 WeakPolarHBondContact O-CA 3.01Å; H269-G286 VanDerWaalsContact CE1-CA 3.41Å; H269-G286 WeakPolarHBondContact CE1-CA 3.36Å; H269-G286 PolarHBondContact N-O 2.94Å; H269-G286 WeakPolarHBondContact ND1-CA 3.27Å; H269-G286 PolarHBondContact ND1-O 3.38Å; H269-G286 PolarHBondContact O-N 3.12Å; H269-T288 HydrophobicContact CB-CG2 3.67Å; H269-T288 VanDerWaalsContact ND1-CG2 3.31Å; H269-T288 WeakPolarHBondContact ND1-CG2 3.32Å |
| 270 | F | 53.6 | Low | 59 | Low | 80 Ų | 80 | 88.9 Ų | 88.9 | 35% | 0.351 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 113.2 | 174.2 | -69.2 | -77.2 | 0 | 0 | 0 | 107.9 | I283 S284 | F270-I283 HydrophobicContact CB-CG2 3.62Å; F270-I283 HydrophobicContact CD1-CG2 3.48Å; F270-I283 VanDerWaalsContact CD1-CG2 3.48Å; F270-I283 HydrophobicContact CG-CG2 3.96Å; F270-S284 WeakPolarHBondContact CA-O 3.45Å |
| 271 | E | 54.1 | Low | 57.9 | Low | 65 Ų | 65 | 93 Ų | 93 | 30% | 0.304 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 127.3 | 171.7 | -60.2 | -162.1 | 151.8 | 0 | 0 | 109.2 | L238 H269 S284 | L238-E271 WeakPolarHBondContact CD2-OE1 3.35Å; H269-E271 WeakPolarHBondContact CD2-CG 3.39Å; H269-E271 IonicContact CD2-OE1 3.56Å; H269-E271 IonicContact NE2-OE1 3.46Å; H269-E271 PolarHBondContact NE2-OE1 2.78Å; E271-S284 PolarHBondContact N-O 2.8Å; E271-S284 PolarHBondContact O-N 2.83Å |
| 272 | A | 49 | Very low | 56.5 | Low | 51 Ų | 51 | 98.6 Ų | 98.6 | 42% | 0.421 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -102.4 | 118.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | F274 | A272-F274 PolarHBondContact O-N 2.79Š|
| 273 | P | 45.9 | Very low | 55.1 | Low | 80 Ų | 80 | 99.8 Ų | 99.8 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 131.4 | 175.6 | 24.5 | -29.1 | 0 | 0 | 0 | 110.2 | Q275 F282 | P273-Q275 VanDerWaalsContact C-N 3.33Å; P273-Q275 PolarHBondContact O-N 2.84Å; P273-F282 WeakPolarHBondContact CD-O 3.32Å; P273-F282 HydrophobicContact CG-CB 4.02Å |
| 274 | F | 49.4 | Very low | 53.8 | Low | 120 Ų | 120 | 98.2 Ų | 98.2 | 53% | 0.526 | 53% | 0.528 | S | S | . | . | trans | -74.4 | 80.6 | 177.9 | -63.1 | -84.6 | 0 | 0 | 0 | 110.5 | R26 A272 | R26-F274 VanDerWaalsContact CA-CE1 3.5Å; R26-F274 HydrophobicContact CB-CE1 4.25Å; R26-F274 HydrophobicContact CB-CE2 3.96Å; R26-F274 HydrophobicContact CB-CZ 3.58Å; R26-F274 HydrophobicContact CG-CD2 4.27Å; R26-F274 HydrophobicContact CG-CE1 4.4Å; R26-F274 HydrophobicContact CG-CE2 3.66Å; R26-F274 HydrophobicContact CG-CZ 3.76Å; A272-F274 PolarHBondContact O-N 2.79Å | ||
| 275 | Q | 39.4 | Very low | 52.9 | Low | 161 Ų | 161 | 98.3 Ų | 98.3 | 75% | 0.752 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -133.9 | 144.1 | 164.1 | -78.6 | -175.3 | -10.8 | 0 | 0 | 109.5 | P273 H277 | P273-Q275 VanDerWaalsContact C-N 3.33Å; P273-Q275 PolarHBondContact O-N 2.84Å; Q275-H277 CarbonylContact O-C 3.39Å; Q275-H277 PolarHBondContact O-N 2.78Å |
| 276 | D | 45.1 | Very low | 52.3 | Low | 166 Ų | 166 | 95.8 Ų | 95.8 | 89% | 0.888 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -56.2 | 7.8 | -162.4 | -68.8 | -46.3 | 0 | 0 | 0 | 117.5 | ||
| 277 | H | 44.7 | Very low | 52.1 | Low | 174 Ų | 174 | 95.8 Ų | 95.8 | 81% | 0.806 | 51% | 0.505 | S | S | * | . | trans | -133.3 | 97.7 | 166.5 | -66 | -40.1 | 0 | 0 | 0 | 109 | Q275 S279 | Q275-H277 CarbonylContact O-C 3.39Å; Q275-H277 PolarHBondContact O-N 2.78Å; H277-S279 PolarHBondContact O-N 2.98Å | ||
| 278 | V | 45.3 | Very low | 52.7 | Low | 128 Ų | 128 | 95.1 Ų | 95.1 | 78% | 0.776 | 50% | 0.496 | S | S | * | . | trans | -68.2 | 72.2 | 163.9 | -170.7 | 0 | 0 | 0 | 0 | 107.9 | K280 | V278-K280 PolarHBondContact O-N 2.92Š| ||
| 279 | S | 43.1 | Very low | 53.6 | Low | 68 Ų | 68 | 95 Ų | 95 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | trans | -65.4 | 126.2 | 159.8 | -169.5 | 0 | 0 | 0 | 0 | 105.3 | H277 K281 F282 | H277-S279 PolarHBondContact O-N 2.98Å; S279-K281 PolarHBondContact O-N 2.86Å; S279-F282 PolarHBondContact O-N 2.94Å | ||
| 280 | K | 47.5 | Very low | 54.6 | Low | 192 Ų | 192 | 95.3 Ų | 95.3 | 84% | 0.835 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.8 | -3.2 | 174 | -79.7 | -179.9 | 174.4 | 177 | 0 | 114.7 | V278 | V278-K280 PolarHBondContact O-N 2.92Š|
| 281 | K | 46.4 | Very low | 56.2 | Low | 174 Ų | 174 | 93.6 Ų | 93.6 | 76% | 0.757 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -11.1 | -170.8 | -148.5 | 173.7 | -177.2 | -177.6 | 0 | 115.2 | S279 | S279-K281 PolarHBondContact O-N 2.86Š|
| 282 | F | 51 | Low | 57.7 | Low | 144 Ų | 144 | 91.5 Ų | 91.5 | 63% | 0.632 | 48% | 0.482 | S | S | * | . | trans | -126.1 | 40 | -174.4 | -69 | -78.9 | 0 | 0 | 0 | 114.3 | P273 S279 S284 | P273-F282 WeakPolarHBondContact CD-O 3.32Å; P273-F282 HydrophobicContact CG-CB 4.02Å; S279-F282 PolarHBondContact O-N 2.94Å; F282-S284 PolarHBondContact O-N 2.04Å | ||
| 283 | I | 53.8 | Low | 59.7 | Low | 95 Ų | 95 | 89.7 Ų | 89.7 | 49% | 0.487 | 47% | 0.466 | S | S | . | . | trans | -82.7 | 108.5 | 167 | -51.7 | 179 | 0 | 0 | 0 | 106.8 | F270 S285 | F270-I283 HydrophobicContact CB-CG2 3.62Å; F270-I283 HydrophobicContact CD1-CG2 3.48Å; F270-I283 VanDerWaalsContact CD1-CG2 3.48Å; F270-I283 HydrophobicContact CG-CG2 3.96Å; I283-S285 PolarHBondContact O-N 2.82Å | ||
| 284 | S | 54.1 | Low | 61.8 | Low | 52 Ų | 52 | 86.7 Ų | 86.7 | 36% | 0.364 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 116.9 | 172.9 | -165.8 | 0 | 0 | 0 | 0 | 107.9 | F270 E271 F282 | F270-S284 WeakPolarHBondContact CA-O 3.45Å; E271-S284 PolarHBondContact N-O 2.8Å; E271-S284 PolarHBondContact O-N 2.83Å; F282-S284 PolarHBondContact O-N 2.04Å |
| 285 | S | 59.9 | Low | 63.7 | Low | 76 Ų | 76 | 81.4 Ų | 81.4 | 53% | 0.531 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.3 | 169 | 62 | 0 | 0 | 0 | 0 | 108.5 | H269 I283 | H269-S285 WeakPolarHBondContact O-CA 3.01Å; I283-S285 PolarHBondContact O-N 2.82Å |
| 286 | G | 59.9 | Low | 66 | Low | 5 Ų | 5 | 76.8 Ų | 76.8 | 5% | 0.052 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 158.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E240 T268 H269 | E240-G286 VanDerWaalsContact OE1-CA 3.27Å; E240-G286 WeakPolarHBondContact OE1-CA 3.45Å; T268-G286 CarbonylContact C-O 3.54Å; T268-G286 WeakPolarHBondContact CA-O 3.37Å; H269-G286 VanDerWaalsContact CE1-CA 3.41Å; H269-G286 WeakPolarHBondContact CE1-CA 3.36Å; H269-G286 PolarHBondContact N-O 2.94Å; H269-G286 WeakPolarHBondContact ND1-CA 3.27Å; H269-G286 PolarHBondContact ND1-O 3.38Å; H269-G286 PolarHBondContact O-N 3.12Å |
| 287 | D | 66.9 | Low | 68 | Low | 91 Ų | 91 | 75.7 Ų | 75.7 | 49% | 0.487 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 130.2 | 173.6 | -70.6 | -21.4 | 0 | 0 | 0 | 110.6 | R239 | R239-D287 IonicContact NH1-OD2 3.14Å; R239-D287 PolarHBondContact NH1-OD2 3.34Å; R239-D287 VanDerWaalsContact NH1-OD2 3.14Å |
| 288 | T | 74.9 | Confident | 70.2 | Confident | 12 Ų | 12 | 71.7 Ų | 71.7 | 7% | 0.074 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 145.1 | 171.4 | 53 | 0 | 0 | 0 | 0 | 110.8 | T236 L238 G267 H269 | T236-T288 HydrophobicContact CG2-CG2 3.97Å; L238-T288 HydrophobicContact CD1-CG2 4.48Å; L238-T288 HydrophobicContact CG-CG2 4.2Å; G267-T288 PolarHBondContact N-O 3.4Å; G267-T288 PolarHBondContact O-N 3.11Å; G267-T288 PolarHBondContact O-OG1 3.45Å; H269-T288 HydrophobicContact CB-CG2 3.67Å; H269-T288 VanDerWaalsContact ND1-CG2 3.31Å; H269-T288 WeakPolarHBondContact ND1-CG2 3.32Å |
| 289 | V | 77 | Confident | 72.4 | Confident | 53 Ų | 53 | 67.4 Ų | 67.4 | 32% | 0.321 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 123.4 | 166.9 | -178.8 | 0 | 0 | 0 | 0 | 106.7 | T236 F237 | T236-V289 WeakPolarHBondContact CA-O 3.44Å; F237-V289 PolarHBondContact N-O 2.89Å; F237-V289 PolarHBondContact O-N 3.39Å |
| 290 | Q | 85.9 | Confident | 74.7 | Confident | 15 Ų | 15 | 65.6 Ų | 65.6 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 120.5 | 179.9 | -173.7 | 175.6 | 59.6 | 0 | 0 | 110 | I234 V235 T236 M265 V292 | I234-Q290 HydrophobicContact CG2-CG 3.83Å; I234-Q290 VanDerWaalsContact CG2-NE2 3.25Å; V235-Q290 CarbonylContact O-C 3.55Å; V235-Q290 VanDerWaalsContact O-CA 3.28Å; V235-Q290 WeakPolarHBondContact O-CA 3.27Å; T236-Q290 PolarHBondContact OG1-NE2 3.34Å; M265-Q290 PolarHBondContact N-O 3.15Å; M265-Q290 PolarHBondContact O-N 2.91Å; Q290-V292 HydrophobicContact CG-CG2 3.96Å |
| 291 | D | 86.5 | Confident | 76.8 | Confident | 44 Ų | 44 | 56.6 Ų | 56.6 | 24% | 0.235 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120.4 | 170.9 | -66.9 | -37 | 0 | 0 | 0 | 109.3 | I234 V235 S264 | I234-D291 CarbonylContact C-O 3.58Å; I234-D291 WeakPolarHBondContact CA-O 3.43Å; V235-D291 HydrophobicContact CB-CB 4.38Å; V235-D291 PolarHBondContact N-O 2.9Å; V235-D291 PolarHBondContact O-N 3.46Å; S264-D291 WeakPolarHBondContact CA-OD1 3.31Å; S264-D291 WeakPolarHBondContact CB-OD1 3.34Å; S264-D291 PolarHBondContact OG-OD1 2.96Å |
| 292 | V | 86.8 | Confident | 78.8 | Confident | 20 Ų | 20 | 52.7 Ų | 52.7 | 12% | 0.121 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 114.9 | 178 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | L232 T233 I234 C262 V263 M265 Q290 | L232-V292 HydrophobicContact CD1-CG1 3.7Å; T233-V292 CarbonylContact O-C 3.59Å; T233-V292 WeakPolarHBondContact O-CA 3.02Å; I234-V292 HydrophobicContact CG1-CG1 4.25Å; I234-V292 HydrophobicContact CG1-CG2 4.28Å; C262-V292 CarbonylContact C-O 3.52Å; C262-V292 WeakPolarHBondContact CA-O 3.46Å; V263-V292 PolarHBondContact N-O 2.81Å; V263-V292 PolarHBondContact O-N 2.86Å; M265-V292 HydrophobicContact CE-CB 4.04Å; M265-V292 HydrophobicContact CE-CG2 3.57Å; Q290-V292 HydrophobicContact CG-CG2 3.96Å |
| 293 | C | 89.7 | Confident | 79.7 | Confident | 13 Ų | 13 | 46.3 Ų | 46.3 | 9% | 0.088 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 138 | 178.5 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | C48 T233 G261 C262 | C48-C293 PolarHBondContact SG-SG 2.96Å; T233-C293 PolarHBondContact N-O 2.92Å; T233-C293 PolarHBondContact O-N 3.22Å; G261-C293 WeakPolarHBondContact O-CA 3.21Å; C262-C293 HydrophobicContact CB-CB 4.08Å; C262-C293 WeakPolarHBondContact CB-SG 3.05Å; C262-C293 WeakPolarHBondContact SG-CB 3.03Å; C262-C293 CovalentContact SG-SG 2.04Å; C262-C293 PolarHBondContact SG-SG 3.48Å |
| 294 | L | 90.2 | Very high | 80 | Confident | 17 Ų | 17 | 43.7 Ų | 43.7 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 146 | 179 | -69.1 | 161.5 | 0 | 0 | 0 | 110.1 | F82 A230 C231 L232 T251 V253 I259 G261 | F82-L294 HydrophobicContact CZ-CD1 3.98Å; A230-L294 HydrophobicContact CB-CD2 4.42Å; C231-L294 WeakPolarHBondContact O-CA 3.05Å; L232-L294 HydrophobicContact CB-CD2 4.19Å; L232-L294 HydrophobicContact CD1-CD2 3.65Å; L232-L294 HydrophobicContact CD1-CG 4.22Å; L232-L294 HydrophobicContact CG-CD2 4.5Å; T251-L294 HydrophobicContact CG2-CD2 3.52Å; V253-L294 HydrophobicContact CG2-CD1 4.31Å; V253-L294 HydrophobicContact CG2-CD2 4.18Å; I259-L294 HydrophobicContact CG2-CB 3.46Å; I259-L294 VanDerWaalsContact CG2-CB 3.46Å; I259-L294 HydrophobicContact CG2-CD1 3.53Å; I259-L294 HydrophobicContact CG2-CD2 4.41Å; I259-L294 HydrophobicContact CG2-CG 3.98Å; I259-L294 CarbonylContact O-C 3.56Å; I259-L294 VanDerWaalsContact O-C 3.31Å; I259-L294 WeakPolarHBondContact O-CB 3.35Å; G261-L294 PolarHBondContact N-O 2.8Å; G261-L294 PolarHBondContact O-N 2.83Å |
| 295 | C | 89.6 | Confident | 79.8 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 7% | 0.068 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 153 | 173.9 | 56.9 | 0 | 0 | 0 | 0 | 110 | A230 C231 C300 | A230-C295 CarbonylContact C-O 3.58Å; A230-C295 WeakPolarHBondContact CA-O 3.36Å; C231-C295 PolarHBondContact N-O 3.29Å; C231-C295 PolarHBondContact O-N 2.92Å; C231-C295 VanDerWaalsContact O-N 3.07Å; C295-C300 HydrophobicContact CB-CB 3.77Å; C295-C300 WeakPolarHBondContact CB-SG 3.43Å; C295-C300 WeakPolarHBondContact SG-CB 3.29Å; C295-C300 CovalentContact SG-SG 2.01Å; C295-C300 PolarHBondContact SG-SG 3.13Å |
| 296 | S | 87.6 | Confident | 79.2 | Confident | 64 Ų | 64 | 49.3 Ų | 49.3 | 45% | 0.448 | 26% | 0.26 | S | S | . | . | trans | -112.6 | 10.1 | -171.2 | 61.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 297 | E | 87.6 | Confident | 78.8 | Confident | 143 Ų | 143 | 56.5 Ų | 56.5 | 67% | 0.668 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -99.6 | 153.6 | -179.7 | -69.6 | 177.5 | -167.5 | 0 | 0 | 110.9 | L299 C300 | E297-L299 PolarHBondContact O-N 2.54Å; E297-C300 HydrophobicContact CB-CB 3.9Å; E297-C300 WeakPolarHBondContact O-CB 3.42Å; E297-C300 PolarHBondContact O-N 2.84Å; E297-C300 PolarHBondContact O-SG 2.8Å |
| 298 | D | 90.6 | Very high | 78.3 | Confident | 90 Ų | 90 | 56.6 Ų | 56.6 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 125.8 | 176.5 | -84.1 | -19.8 | 0 | 0 | 0 | 110.9 | K186 C300 | K186-D298 PolarHBondContact N-OD1 2.76Å; D298-C300 PolarHBondContact O-N 2.86Å; D298-C300 VanDerWaalsContact O-N 3.11Å |
| 299 | L | 92.5 | Very high | 77.5 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 20% | 0.199 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 19.9 | 173.6 | -55.3 | 177.2 | 0 | 0 | 0 | 113.8 | K186 Y188 K221 E297 N301 F302 | K186-L299 HydrophobicContact CB-CD2 3.9Å; K186-L299 HydrophobicContact CB-CG 4.22Å; K186-L299 PolarHBondContact O-N 2.78Å; Y188-L299 HydrophobicContact CD1-CD2 4.34Å; Y188-L299 HydrophobicContact CD2-CB 4.05Å; Y188-L299 HydrophobicContact CD2-CD2 4.18Å; Y188-L299 HydrophobicContact CE1-CD2 4.18Å; Y188-L299 HydrophobicContact CE2-CB 3.55Å; Y188-L299 HydrophobicContact CE2-CD1 4.45Å; Y188-L299 HydrophobicContact CE2-CD2 4.02Å; Y188-L299 HydrophobicContact CE2-CG 4.21Å; Y188-L299 HydrophobicContact CG-CD2 4.34Å; K221-L299 HydrophobicContact CB-CD2 4.38Å; K221-L299 HydrophobicContact CD-CD1 4.16Å; K221-L299 HydrophobicContact CD-CD2 4.29Å; K221-L299 HydrophobicContact CG-CD2 3.98Å; E297-L299 PolarHBondContact O-N 2.54Å; L299-N301 VanDerWaalsContact C-N 3.25Å; L299-N301 PolarHBondContact O-N 3.06Å; L299-F302 PolarHBondContact O-N 2.86Å |
| 300 | C | 91 | Very high | 76.7 | Confident | 29 Ų | 29 | 63.2 Ų | 63.2 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -23.1 | -176.7 | 62.8 | 0 | 0 | 0 | 0 | 114 | C295 E297 D298 F302 | C295-C300 HydrophobicContact CB-CB 3.77Å; C295-C300 WeakPolarHBondContact CB-SG 3.43Å; C295-C300 WeakPolarHBondContact SG-CB 3.29Å; C295-C300 CovalentContact SG-SG 2.01Å; C295-C300 PolarHBondContact SG-SG 3.13Å; E297-C300 HydrophobicContact CB-CB 3.9Å; E297-C300 WeakPolarHBondContact O-CB 3.42Å; E297-C300 PolarHBondContact O-N 2.84Å; E297-C300 PolarHBondContact O-SG 2.8Å; D298-C300 PolarHBondContact O-N 2.86Å; D298-C300 VanDerWaalsContact O-N 3.11Å; C300-F302 PolarHBondContact O-N 2.89Å |
| 301 | N | 91.5 | Very high | 75.7 | Confident | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 22.6 | -179.7 | 72.3 | -24.9 | 0 | 0 | 0 | 113.1 | Y188 C231 L232 K248 L299 A303 | Y188-N301 WeakPolarHBondContact CB-OD1 3.43Å; Y188-N301 PolarHBondContact N-OD1 3.31Å; Y188-N301 PolarHBondContact O-ND2 3.11Å; C231-N301 HydrophobicContact CB-CB 3.74Å; L232-N301 PolarHBondContact O-ND2 3.06Å; K248-N301 PolarHBondContact NZ-O 2.56Å; L299-N301 VanDerWaalsContact C-N 3.25Å; L299-N301 PolarHBondContact O-N 3.06Å; N301-A303 PolarHBondContact O-N 3Å |
| 302 | F | 87.2 | Confident | 74.9 | Confident | 92 Ų | 92 | 68.8 Ų | 68.8 | 40% | 0.404 | 37% | 0.366 | S | S | . | . | trans | -74.7 | 101.5 | 175.7 | -170.5 | -118.3 | 0 | 0 | 0 | 111.1 | Y188 F219 L299 C300 S304 | Y188-F302 HydrophobicContact CD2-CB 3.77Å; Y188-F302 AromaticContact CD2-CD2 3.83Å; Y188-F302 HydrophobicContact CD2-CD2 3.83Å; Y188-F302 HydrophobicContact CD2-CG 4.24Å; Y188-F302 HydrophobicContact CE2-CB 3.68Å; Y188-F302 AromaticContact CE2-CD2 3.55Å; Y188-F302 HydrophobicContact CE2-CD2 3.55Å; Y188-F302 HydrophobicContact CE2-CE2 4.47Å; Y188-F302 AromaticContact CE2-CG 3.89Å; Y188-F302 HydrophobicContact CE2-CG 3.89Å; Y188-F302 HydrophobicContact CG-CD2 4.5Å; F219-F302 HydrophobicContact CD2-CD2 4.38Å; F219-F302 AromaticContact CD2-CE2 3.93Å; F219-F302 HydrophobicContact CD2-CE2 3.93Å; F219-F302 HydrophobicContact CE2-CD2 4.48Å; F219-F302 HydrophobicContact CE2-CE2 4.1Å; L299-F302 PolarHBondContact O-N 2.86Å; C300-F302 PolarHBondContact O-N 2.89Å; F302-S304 WeakPolarHBondContact CE1-OG 3.28Å; F302-S304 VanDerWaalsContact CZ-CB 3.4Å | ||
| 303 | A | 70.5 | Confident | 74.2 | Confident | 9 Ų | 9 | 72.7 Ų | 72.7 | 7% | 0.074 | 39% | 0.386 | C | S | . | . | trans | -100 | 87.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | C48 F219 N301 | C48-A303 HydrophobicContact CB-CB 4.43Å; F219-A303 WeakPolarHBondContact CZ-O 3.49Å; N301-A303 PolarHBondContact O-N 3Å | ||
| 304 | S | 59.3 | Low | 73.6 | Confident | 40 Ų | 40 | 80 Ų | 80 | 28% | 0.28 | 41% | 0.412 | S | S | . | . | trans | -99.1 | 143.7 | 164.6 | 65.1 | 0 | 0 | 0 | 0 | 109.5 | F302 L306 | F302-S304 WeakPolarHBondContact CE1-OG 3.28Å; F302-S304 VanDerWaalsContact CZ-CB 3.4Å; S304-L306 VanDerWaalsContact C-N 3.28Å; S304-L306 PolarHBondContact O-N 2.73Å | ||
| 305 | R | 50.9 | Low | 73.1 | Confident | 134 Ų | 134 | 83.9 Ų | 83.9 | 51% | 0.506 | 43% | 0.432 | S | S | . | . | trans | -61.4 | 99.7 | 156.3 | -86.3 | -168.4 | -179 | -164.3 | 2.7 | 106.4 | Y215 K307 | Y215-R305 HydrophobicContact CE1-CG 4.42Å; R305-K307 VanDerWaalsContact C-N 3.28Å; R305-K307 PolarHBondContact O-N 3.28Å | ||
| 306 | L | 47.2 | Very low | 72.6 | Confident | 112 Ų | 112 | 86.1 Ų | 86.1 | 59% | 0.586 | 45% | 0.451 | S | S | * | . | trans | -59.4 | 107.7 | 150.3 | -89.3 | 87.8 | 0 | 0 | 0 | 104.3 | S304 P308 | S304-L306 VanDerWaalsContact C-N 3.28Å; S304-L306 PolarHBondContact O-N 2.73Å; L306-P308 WeakPolarHBondContact O-CD 3.1Å | ||
| 307 | K | 51.6 | Low | 72.3 | Confident | 156 Ų | 156 | 88 Ų | 88 | 68% | 0.678 | 46% | 0.455 | S | S | * | . | trans | -64.2 | 106.6 | 166.5 | -73.3 | 178.8 | 179.1 | 175.9 | 0 | 104.9 | R305 T309 M310 | R305-K307 VanDerWaalsContact C-N 3.28Å; R305-K307 PolarHBondContact O-N 3.28Å; K307-T309 PolarHBondContact O-N 3.25Å; K307-M310 PolarHBondContact O-N 3.44Å | ||
| 308 | P | 55.3 | Low | 71.9 | Confident | 94 Ų | 94 | 85.7 Ų | 85.7 | 61% | 0.61 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.7 | -10.2 | -177.6 | 28.5 | -34 | 0 | 0 | 0 | 111.6 | L306 M310 T312 | L306-P308 WeakPolarHBondContact O-CD 3.1Å; P308-M310 PolarHBondContact O-N 3.49Å; P308-T312 PolarHBondContact O-N 2.83Å; P308-T312 PolarHBondContact O-OG1 3.28Å |
| 309 | T | 59.4 | Low | 71.5 | Confident | 79 Ų | 79 | 86 Ų | 86 | 49% | 0.485 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.9 | -31.4 | -179.8 | 58.1 | 0 | 0 | 0 | 0 | 113.7 | K307 T312 L313 | K307-T309 PolarHBondContact O-N 3.25Å; T309-T312 WeakPolarHBondContact CA-OG1 3.43Å; T309-T312 PolarHBondContact O-OG1 3.01Å; T309-L313 WeakPolarHBondContact O-CB 3.3Å; T309-L313 WeakPolarHBondContact O-CD1 3.5Å; T309-L313 WeakPolarHBondContact O-CG 3.09Å; T309-L313 PolarHBondContact O-N 2.98Å |
| 310 | M | 60.4 | Low | 70.8 | Confident | 125 Ų | 125 | 86.8 Ų | 86.8 | 62% | 0.616 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -74.9 | -47.1 | -178.9 | -83.8 | -79.2 | -158.2 | 0 | 0 | 112 | K307 P308 L313 W314 | K307-M310 PolarHBondContact O-N 3.44Å; P308-M310 PolarHBondContact O-N 3.49Å; M310-L313 PolarHBondContact O-N 3.47Å; M310-W314 WeakPolarHBondContact O-CB 3.26Å; M310-W314 PolarHBondContact O-N 3.18Å |
| 311 | V | 64.8 | Low | 70.2 | Confident | 91 Ų | 91 | 93.5 Ų | 93.5 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.8 | -39.1 | -179.4 | 178.9 | 0 | 0 | 0 | 0 | 111 | W314 L315 | V311-W314 PolarHBondContact O-N 2.91Å; V311-L315 HydrophobicContact CG1-CD1 3.91Å; V311-L315 HydrophobicContact CG1-CG 4.38Å; V311-L315 WeakPolarHBondContact O-CB 3.37Å; V311-L315 VanDerWaalsContact O-CG 3.32Å; V311-L315 WeakPolarHBondContact O-CG 3.33Å; V311-L315 PolarHBondContact O-N 2.89Å |
| 312 | T | 69.2 | Low | 69.1 | Low | 85 Ų | 85 | 97.3 Ų | 97.3 | 52% | 0.521 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 174.7 | 47.1 | 0 | 0 | 0 | 0 | 112.6 | P308 T309 A316 | P308-T312 PolarHBondContact O-N 2.83Å; P308-T312 PolarHBondContact O-OG1 3.28Å; T309-T312 WeakPolarHBondContact CA-OG1 3.43Å; T309-T312 PolarHBondContact O-OG1 3.01Å; T312-A316 WeakPolarHBondContact O-CB 3.06Å; T312-A316 PolarHBondContact O-N 2.96Å |
| 313 | L | 72.4 | Confident | 68.3 | Low | 101 Ų | 101 | 98.1 Ų | 98.1 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 172.1 | -91.2 | 159.9 | 0 | 0 | 0 | 112.2 | T309 M310 A316 L317 | T309-L313 WeakPolarHBondContact O-CB 3.3Å; T309-L313 WeakPolarHBondContact O-CD1 3.5Å; T309-L313 WeakPolarHBondContact O-CG 3.09Å; T309-L313 PolarHBondContact O-N 2.98Å; M310-L313 PolarHBondContact O-N 3.47Å; L313-A316 PolarHBondContact O-N 3.43Å; L313-L317 WeakPolarHBondContact O-CB 3.41Å; L313-L317 WeakPolarHBondContact O-CG 3.32Å; L313-L317 PolarHBondContact O-N 3.45Å |
| 314 | W | 77.7 | Confident | 68 | Low | 167 Ų | 167 | 106.1 Ų | 106.1 | 63% | 0.633 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.6 | -43.4 | 177.2 | -88.4 | 100.8 | 0 | 0 | 0 | 112.1 | M310 V311 L317 L318 | M310-W314 WeakPolarHBondContact O-CB 3.26Å; M310-W314 PolarHBondContact O-N 3.18Å; V311-W314 PolarHBondContact O-N 2.91Å; W314-L317 PolarHBondContact O-N 3.46Å; W314-L318 WeakPolarHBondContact O-CB 3.34Å; W314-L318 VanDerWaalsContact O-CG 3.29Å; W314-L318 WeakPolarHBondContact O-CG 3.37Å; W314-L318 PolarHBondContact O-N 2.86Å |
| 315 | L | 79.3 | Confident | 68.1 | Low | 98 Ų | 98 | 111.7 Ų | 111.7 | 51% | 0.513 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.4 | -41.7 | 174.2 | -74.7 | 169.2 | 0 | 0 | 0 | 111.6 | V311 L317 L318 V319 | V311-L315 HydrophobicContact CG1-CD1 3.91Å; V311-L315 HydrophobicContact CG1-CG 4.38Å; V311-L315 WeakPolarHBondContact O-CB 3.37Å; V311-L315 VanDerWaalsContact O-CG 3.32Å; V311-L315 WeakPolarHBondContact O-CG 3.33Å; V311-L315 PolarHBondContact O-N 2.89Å; L315-L317 PolarHBondContact O-N 2.91Å; L315-L318 PolarHBondContact O-N 2.98Å; L315-V319 WeakPolarHBondContact O-CB 3.31Å; L315-V319 VanDerWaalsContact O-CG2 3.23Å; L315-V319 WeakPolarHBondContact O-CG2 3.25Å; L315-V319 PolarHBondContact O-N 2.98Å |
| 316 | A | 79.8 | Confident | 68.9 | Low | 58 Ų | 58 | 110.6 Ų | 110.6 | 48% | 0.479 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.5 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T312 L313 V319 S320 | T312-A316 WeakPolarHBondContact O-CB 3.06Å; T312-A316 PolarHBondContact O-N 2.96Å; L313-A316 PolarHBondContact O-N 3.43Å; A316-V319 PolarHBondContact O-N 2.82Å; A316-S320 WeakPolarHBondContact O-CB 2.97Å; A316-S320 PolarHBondContact O-N 3.17Å; A316-S320 PolarHBondContact O-OG 2.69Å |
| 317 | L | 81.2 | Confident | 70.1 | Confident | 102 Ų | 102 | 110.5 Ų | 110.5 | 53% | 0.534 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.6 | -38.4 | 174.8 | -78.3 | 166.9 | 0 | 0 | 0 | 112.6 | L313 W314 L315 S320 Y321 | L313-L317 WeakPolarHBondContact O-CB 3.41Å; L313-L317 WeakPolarHBondContact O-CG 3.32Å; L313-L317 PolarHBondContact O-N 3.45Å; W314-L317 PolarHBondContact O-N 3.46Å; L315-L317 PolarHBondContact O-N 2.91Å; L317-S320 WeakPolarHBondContact CA-OG 3.39Å; L317-S320 PolarHBondContact O-N 2.95Å; L317-S320 PolarHBondContact O-OG 2.8Å; L317-S320 VanDerWaalsContact O-OG 3.04Å; L317-Y321 VanDerWaalsContact O-CB 3.28Å; L317-Y321 WeakPolarHBondContact O-CB 3.27Å; L317-Y321 PolarHBondContact O-N 2.71Å |
| 318 | L | 78.4 | Confident | 71.1 | Confident | 95 Ų | 95 | 108 Ų | 108 | 50% | 0.497 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.1 | -39 | 175.7 | -75.9 | 168.2 | 0 | 0 | 0 | 111.7 | W314 L315 S322 | W314-L318 WeakPolarHBondContact O-CB 3.34Å; W314-L318 VanDerWaalsContact O-CG 3.29Å; W314-L318 WeakPolarHBondContact O-CG 3.37Å; W314-L318 PolarHBondContact O-N 2.86Å; L315-L318 PolarHBondContact O-N 2.98Å; L318-S322 WeakPolarHBondContact O-CB 3.41Å; L318-S322 PolarHBondContact O-N 3.41Å; L318-S322 VanDerWaalsContact O-N 3.09Å; L318-S322 PolarHBondContact O-OG 3.47Å |
| 319 | V | 81.6 | Confident | 72 | Confident | 96 Ų | 96 | 108.8 Ų | 108.8 | 58% | 0.582 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.6 | -44.1 | 174.7 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | L315 A316 S322 T323 | L315-V319 WeakPolarHBondContact O-CB 3.31Å; L315-V319 VanDerWaalsContact O-CG2 3.23Å; L315-V319 WeakPolarHBondContact O-CG2 3.25Å; L315-V319 PolarHBondContact O-N 2.98Å; A316-V319 PolarHBondContact O-N 2.82Å; V319-S322 PolarHBondContact O-N 3.14Å; V319-T323 WeakPolarHBondContact O-CG2 3.37Å; V319-T323 PolarHBondContact O-N 2.96Å; V319-T323 PolarHBondContact O-OG1 3.5Å |
| 320 | S | 78.9 | Confident | 72.8 | Confident | 55 Ų | 55 | 110.7 Ų | 110.7 | 39% | 0.385 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.5 | -38.9 | 178.6 | 66.6 | 0 | 0 | 0 | 0 | 112.7 | A316 L317 S322 T323 M324 | A316-S320 WeakPolarHBondContact O-CB 2.97Å; A316-S320 PolarHBondContact O-N 3.17Å; A316-S320 PolarHBondContact O-OG 2.69Å; L317-S320 WeakPolarHBondContact CA-OG 3.39Å; L317-S320 PolarHBondContact O-N 2.95Å; L317-S320 PolarHBondContact O-OG 2.8Å; L317-S320 VanDerWaalsContact O-OG 3.04Å; S320-S322 VanDerWaalsContact C-N 3.34Å; S320-S322 PolarHBondContact O-N 3.4Å; S320-T323 PolarHBondContact O-N 3.22Å; S320-T323 PolarHBondContact O-OG1 2.66Å; S320-M324 PolarHBondContact O-N 3.36Å |
| 321 | Y | 78 | Confident | 73.7 | Confident | 170 Ų | 170 | 109.7 Ų | 109.7 | 67% | 0.667 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.8 | -40.4 | 175.6 | -171.3 | -95.2 | 0 | 0 | 0 | 112 | L317 T323 M324 V325 | L317-Y321 VanDerWaalsContact O-CB 3.28Å; L317-Y321 WeakPolarHBondContact O-CB 3.27Å; L317-Y321 PolarHBondContact O-N 2.71Å; Y321-T323 PolarHBondContact O-N 3.37Å; Y321-M324 PolarHBondContact O-N 2.96Å; Y321-V325 HydrophobicContact CE1-CG2 4.14Å |
| 322 | S | 67.3 | Low | 74.3 | Confident | 85 Ų | 85 | 111.1 Ų | 111.1 | 59% | 0.594 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.2 | -15.6 | 178.5 | -53 | 0 | 0 | 0 | 0 | 113.6 | L318 V319 S320 | L318-S322 WeakPolarHBondContact O-CB 3.41Å; L318-S322 PolarHBondContact O-N 3.41Å; L318-S322 VanDerWaalsContact O-N 3.09Å; L318-S322 PolarHBondContact O-OG 3.47Å; V319-S322 PolarHBondContact O-N 3.14Å; S320-S322 VanDerWaalsContact C-N 3.34Å; S320-S322 PolarHBondContact O-N 3.4Å |
| 323 | T | 71.8 | Confident | 74.7 | Confident | 109 Ų | 109 | 113.1 Ų | 113.1 | 67% | 0.669 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -8.7 | 175.4 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | V319 S320 Y321 | V319-T323 WeakPolarHBondContact O-CG2 3.37Å; V319-T323 PolarHBondContact O-N 2.96Å; V319-T323 PolarHBondContact O-OG1 3.5Å; S320-T323 PolarHBondContact O-N 3.22Å; S320-T323 PolarHBondContact O-OG1 2.66Å; Y321-T323 PolarHBondContact O-N 3.37Å |
| 324 | M | 64.2 | Low | 74.9 | Confident | 176 Ų | 176 | 114.1 Ų | 114.1 | 87% | 0.867 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | -4.8 | 180 | -68.1 | -165.2 | 92.7 | 0 | 0 | 114.3 | S320 Y321 | S320-M324 PolarHBondContact O-N 3.36Å; Y321-M324 PolarHBondContact O-N 2.96Å |
| 325 | V | 60.5 | Low | 74.6 | Confident | 158 Ų | 158 | 109.3 Ų | 109.3 | 96% | 0.958 | 61% | 0.613 | S | S | * | * | trans | -107.2 | 0 | 173.8 | -178.1 | 0 | 0 | 0 | 0 | 109 | Y321 | Y321-V325 HydrophobicContact CE1-CG2 4.14Š|
Retrieved 325 of 325 residues in 46.5 ms
(Link to these results)