| 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 | 36.7 | Very low | 38.5 | Very low | 244 Ų | 244 | 152.5 Ų | 152.5 | 100% | 1.202 | 80% | 0.796 | S | S | * | * | 0 | 103.2 | 0 | -165 | 171.7 | -174.9 | 0 | 0 | 107.9 | |||||
| 2 | F | 37 | Very low | 39.2 | Very low | 196 Ų | 196 | 152.9 Ų | 152.9 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -54.6 | 143.4 | 169.9 | -84.1 | -101.9 | 0 | 0 | 0 | 110.9 | ||||
| 3 | K | 30.9 | Very low | 39.6 | Very low | 178 Ų | 178 | 148.8 Ų | 148.8 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | 174.2 | 127.3 | 107.4 | -97.2 | 170.6 | -179.6 | 170.1 | 0 | 113.8 | |||||
| 4 | K | 40.3 | Very low | 40.2 | Very low | 176 Ų | 176 | 143.9 Ų | 143.9 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | trans | 64 | 109.2 | 135.1 | -73.1 | 177.9 | 167 | -175.2 | 0 | 118.4 | ||||
| 5 | L | 33.5 | Very low | 40.7 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 85% | 0.848 | 73% | 0.73 | S | S | * | * | -160 | 68.4 | 124.1 | -112.2 | 132 | 0 | 0 | 0 | 111.1 | |||||
| 6 | S | 36.9 | Very low | 41.2 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | trans | -89.9 | 93.4 | 154.2 | 42.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 7 | R | 33.9 | Very low | 41.8 | Very low | 222 Ų | 222 | 138.6 Ų | 138.6 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | trans | -103.5 | 109.4 | 169.9 | -151.1 | 175.3 | -165.1 | 178.2 | 2.2 | 107.1 | ||||
| 8 | C | 38 | Very low | 42.6 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 72% | 0.723 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 139.2 | 168.3 | -73.3 | 0 | 0 | 0 | 0 | 109 | T10 | C8-T10 PolarHBondContact O-N 3.19Š|
| 9 | P | 38.5 | Very low | 43.2 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 62% | 0.617 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 132.4 | 174.8 | 25.2 | -30.3 | 0 | 0 | 0 | 109.5 | ||
| 10 | T | 49.8 | Very low | 43.8 | Very low | 85 Ų | 85 | 142.6 Ų | 142.6 | 52% | 0.521 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -77.5 | 159.1 | 176.6 | 46.4 | 0 | 0 | 0 | 0 | 110.3 | C8 E12 D13 | C8-T10 PolarHBondContact O-N 3.19Å; T10-E12 PolarHBondContact O-N 3.12Å; T10-E12 VanDerWaalsContact O-N 3.07Å; T10-D13 PolarHBondContact O-N 3.05Å |
| 11 | A | 47.5 | Very low | 44.3 | Very low | 90 Ų | 90 | 143.9 Ų | 143.9 | 74% | 0.744 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -61.3 | -17.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 12 | E | 47 | Very low | 45.6 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75 | -38.2 | 176.4 | -76.9 | 179.5 | 142.6 | 0 | 0 | 113.1 | T10 N14 L15 Q16 | T10-E12 PolarHBondContact O-N 3.12Å; T10-E12 VanDerWaalsContact O-N 3.07Å; E12-N14 VanDerWaalsContact C-N 3.29Å; E12-N14 PolarHBondContact O-N 2.93Å; E12-L15 WeakPolarHBondContact O-CB 3.15Å; E12-L15 PolarHBondContact O-N 3.28Å; E12-L15 VanDerWaalsContact O-N 3.09Å; E12-Q16 PolarHBondContact O-N 3.39Å |
| 13 | D | 44.4 | Very low | 47 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 53% | 0.529 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -64.1 | -37.1 | 177.7 | -78.3 | -26.6 | 0 | 0 | 0 | 111.4 | T10 L15 Q16 E17 | T10-D13 PolarHBondContact O-N 3.05Å; D13-L15 VanDerWaalsContact C-N 3.29Å; D13-L15 PolarHBondContact O-N 2.84Å; D13-Q16 PolarHBondContact O-N 2.91Å; D13-E17 PolarHBondContact O-N 2.77Å |
| 14 | N | 48 | Very low | 48.6 | Very low | 81 Ų | 81 | 122.2 Ų | 122.2 | 43% | 0.433 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.8 | -26.7 | 175.2 | -97.8 | -61 | 0 | 0 | 0 | 113.5 | E12 R18 | E12-N14 VanDerWaalsContact C-N 3.29Å; E12-N14 PolarHBondContact O-N 2.93Å; N14-R18 WeakPolarHBondContact O-CB 3.46Å; N14-R18 VanDerWaalsContact O-CG 3.29Å; N14-R18 WeakPolarHBondContact O-CG 3.42Å; N14-R18 PolarHBondContact O-N 2.85Å; N14-R18 VanDerWaalsContact O-N 3.15Å |
| 15 | L | 48.4 | Very low | 49.7 | Very low | 95 Ų | 95 | 116.4 Ų | 116.4 | 50% | 0.497 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -79 | -36.5 | 177.9 | -162.4 | 75.9 | 0 | 0 | 0 | 110.9 | E12 D13 R19 | E12-L15 WeakPolarHBondContact O-CB 3.15Å; E12-L15 PolarHBondContact O-N 3.28Å; E12-L15 VanDerWaalsContact O-N 3.09Å; D13-L15 VanDerWaalsContact C-N 3.29Å; D13-L15 PolarHBondContact O-N 2.84Å; L15-R19 WeakPolarHBondContact O-CG 3.24Å; L15-R19 PolarHBondContact O-N 3.45Å |
| 16 | Q | 48.5 | Very low | 51.4 | Low | 142 Ų | 142 | 112.6 Ų | 112.6 | 66% | 0.664 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.3 | -42.5 | 175.8 | -166 | 134.9 | -29.9 | 0 | 0 | 111.4 | E12 D13 R19 L20 | E12-Q16 PolarHBondContact O-N 3.39Å; D13-Q16 PolarHBondContact O-N 2.91Å; Q16-R19 PolarHBondContact O-N 2.77Å; Q16-L20 PolarHBondContact O-N 2.93Å |
| 17 | E | 51.3 | Low | 52.7 | Low | 105 Ų | 105 | 109 Ų | 109 | 49% | 0.491 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.3 | -46.5 | 173.2 | -128.9 | -169.4 | 137.8 | 0 | 0 | 111.2 | D13 R19 L20 W21 | D13-E17 PolarHBondContact O-N 2.77Å; E17-R19 VanDerWaalsContact C-N 3.3Å; E17-R19 PolarHBondContact O-N 3.17Å; E17-L20 WeakPolarHBondContact O-CB 3.45Å; E17-L20 PolarHBondContact O-N 2.87Å; E17-L20 VanDerWaalsContact O-N 3.11Å; E17-W21 PolarHBondContact O-N 3.3Å; E17-W21 PolarHBondContact OE1-NE1 3.38Å |
| 18 | R | 55.6 | Low | 54.1 | Low | 187 Ų | 187 | 103.3 Ų | 103.3 | 71% | 0.706 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.7 | -35.4 | 176.7 | -84.4 | 178.8 | 170.6 | -169.4 | -1.1 | 113.4 | N14 A22 | N14-R18 WeakPolarHBondContact O-CB 3.46Å; N14-R18 VanDerWaalsContact O-CG 3.29Å; N14-R18 WeakPolarHBondContact O-CG 3.42Å; N14-R18 PolarHBondContact O-N 2.85Å; N14-R18 VanDerWaalsContact O-N 3.15Å; R18-A22 WeakPolarHBondContact O-CB 2.99Å; R18-A22 PolarHBondContact O-N 2.83Å |
| 19 | R | 55.3 | Low | 55.1 | Low | 180 Ų | 180 | 102.2 Ų | 102.2 | 68% | 0.679 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70 | -37.9 | 174.5 | -76 | 178.5 | 180 | -170.5 | 1.3 | 111.7 | L15 Q16 E17 A22 A23 | L15-R19 WeakPolarHBondContact O-CG 3.24Å; L15-R19 PolarHBondContact O-N 3.45Å; Q16-R19 PolarHBondContact O-N 2.77Å; E17-R19 VanDerWaalsContact C-N 3.3Å; E17-R19 PolarHBondContact O-N 3.17Å; R19-A22 PolarHBondContact O-N 2.92Å; R19-A23 VanDerWaalsContact O-CB 3.3Å; R19-A23 WeakPolarHBondContact O-CB 3.31Å; R19-A23 PolarHBondContact O-N 2.79Å |
| 20 | L | 54.6 | Low | 55.9 | Low | 127 Ų | 127 | 103.7 Ų | 103.7 | 67% | 0.665 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.3 | -44.4 | 175.6 | -137.6 | 83.2 | 0 | 0 | 0 | 111.6 | Q16 E17 A23 A24 | Q16-L20 PolarHBondContact O-N 2.93Å; E17-L20 WeakPolarHBondContact O-CB 3.45Å; E17-L20 PolarHBondContact O-N 2.87Å; E17-L20 VanDerWaalsContact O-N 3.11Å; L20-A23 PolarHBondContact O-N 2.97Å; L20-A24 WeakPolarHBondContact O-CB 3.39Å; L20-A24 PolarHBondContact O-N 3.34Å |
| 21 | W | 53.8 | Low | 56.2 | Low | 171 Ų | 171 | 105.6 Ų | 105.6 | 65% | 0.648 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -68.5 | -35.4 | 176.4 | -70.2 | 115.5 | 0 | 0 | 0 | 112.5 | E17 A25 | E17-W21 PolarHBondContact O-N 3.3Å; E17-W21 PolarHBondContact OE1-NE1 3.38Å; W21-A25 VanDerWaalsContact O-CB 3.25Å; W21-A25 WeakPolarHBondContact O-CB 3.46Å; W21-A25 PolarHBondContact O-N 3.37Å |
| 22 | A | 64.7 | Low | 56.4 | Low | 54 Ų | 54 | 103.3 Ų | 103.3 | 45% | 0.446 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.4 | -42.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R18 R19 A25 V26 | R18-A22 WeakPolarHBondContact O-CB 2.99Å; R18-A22 PolarHBondContact O-N 2.83Å; R19-A22 PolarHBondContact O-N 2.92Å; A22-A25 PolarHBondContact O-N 3.47Å; A22-V26 WeakPolarHBondContact O-CB 3.48Å; A22-V26 VanDerWaalsContact O-CG2 3.25Å; A22-V26 WeakPolarHBondContact O-CG2 3.33Å; A22-V26 PolarHBondContact O-N 2.69Å |
| 23 | A | 65.4 | Low | 56.5 | Low | 63 Ų | 63 | 102.2 Ų | 102.2 | 52% | 0.521 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R19 L20 V26 A27 | R19-A23 VanDerWaalsContact O-CB 3.3Å; R19-A23 WeakPolarHBondContact O-CB 3.31Å; R19-A23 PolarHBondContact O-N 2.79Å; L20-A23 PolarHBondContact O-N 2.97Å; A23-V26 PolarHBondContact O-N 3.13Å; A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 2.83Å |
| 24 | A | 64.4 | Low | 56.7 | Low | 45 Ų | 45 | 104.3 Ų | 104.3 | 37% | 0.372 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | L20 A27 V28 | L20-A24 WeakPolarHBondContact O-CB 3.39Å; L20-A24 PolarHBondContact O-N 3.34Å; A24-A27 PolarHBondContact O-N 3.3Å; A24-V28 WeakPolarHBondContact O-CB 3.49Å; A24-V28 VanDerWaalsContact O-CG2 3.26Å; A24-V28 WeakPolarHBondContact O-CG2 3.46Å; A24-V28 PolarHBondContact O-N 2.97Å |
| 25 | A | 64.5 | Low | 56.6 | Low | 55 Ų | 55 | 104.2 Ų | 104.2 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.1 | -39.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W21 A22 V28 T29 | W21-A25 VanDerWaalsContact O-CB 3.25Å; W21-A25 WeakPolarHBondContact O-CB 3.46Å; W21-A25 PolarHBondContact O-N 3.37Å; A22-A25 PolarHBondContact O-N 3.47Å; A25-V28 PolarHBondContact O-N 2.83Å; A25-T29 WeakPolarHBondContact O-CG2 3.48Å; A25-T29 PolarHBondContact O-N 2.01Å; A25-T29 PolarHBondContact O-OG1 3.19Å |
| 26 | V | 67.9 | Low | 56.4 | Low | 82 Ų | 82 | 103.5 Ų | 103.5 | 50% | 0.497 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.8 | -38.1 | 174.7 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | A22 A23 T29 F30 | A22-V26 WeakPolarHBondContact O-CB 3.48Å; A22-V26 VanDerWaalsContact O-CG2 3.25Å; A22-V26 WeakPolarHBondContact O-CG2 3.33Å; A22-V26 PolarHBondContact O-N 2.69Å; A23-V26 PolarHBondContact O-N 3.13Å; V26-T29 WeakPolarHBondContact CA-OG1 3.02Å; V26-T29 PolarHBondContact O-N 2.7Å; V26-T29 PolarHBondContact O-OG1 3.26Å; V26-T29 VanDerWaalsContact O-OG1 3.04Å; V26-F30 HydrophobicContact CG1-CD2 4.04Å; V26-F30 HydrophobicContact CG1-CE2 4.47Å; V26-F30 WeakPolarHBondContact O-CB 3.31Å; V26-F30 PolarHBondContact O-N 3.32Å |
| 27 | A | 64.4 | Low | 56.1 | Low | 48 Ų | 48 | 101 Ų | 101 | 40% | 0.397 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.8 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | A23 A24 F30 L31 | A23-A27 WeakPolarHBondContact O-CB 3.47Å; A23-A27 PolarHBondContact O-N 2.83Å; A24-A27 PolarHBondContact O-N 3.3Å; A27-F30 PolarHBondContact O-N 2.91Å; A27-L31 WeakPolarHBondContact O-CB 3.15Å; A27-L31 WeakPolarHBondContact O-CD1 3.27Å; A27-L31 PolarHBondContact O-N 3.37Å |
| 28 | V | 64.7 | Low | 55.5 | Low | 102 Ų | 102 | 99 Ų | 99 | 62% | 0.618 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.6 | -36.3 | 177.4 | 172 | 0 | 0 | 0 | 0 | 111.6 | A24 A25 G32 | A24-V28 WeakPolarHBondContact O-CB 3.49Å; A24-V28 VanDerWaalsContact O-CG2 3.26Å; A24-V28 WeakPolarHBondContact O-CG2 3.46Å; A24-V28 PolarHBondContact O-N 2.97Å; A25-V28 PolarHBondContact O-N 2.83Å; V28-G32 PolarHBondContact O-N 2.8Å |
| 29 | T | 58.4 | Low | 54.6 | Low | 83 Ų | 83 | 101.8 Ų | 101.8 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.6 | -34.6 | 172.8 | 51.4 | 0 | 0 | 0 | 0 | 112.3 | A25 V26 G32 L33 | A25-T29 WeakPolarHBondContact O-CG2 3.48Å; A25-T29 PolarHBondContact O-N 2.01Å; A25-T29 PolarHBondContact O-OG1 3.19Å; V26-T29 WeakPolarHBondContact CA-OG1 3.02Å; V26-T29 PolarHBondContact O-N 2.7Å; V26-T29 PolarHBondContact O-OG1 3.26Å; V26-T29 VanDerWaalsContact O-OG1 3.04Å; T29-G32 PolarHBondContact O-N 3.04Å; T29-L33 WeakPolarHBondContact O-CD1 3.3Å; T29-L33 PolarHBondContact O-N 3.44Å |
| 30 | F | 55.6 | Low | 53.8 | Low | 126 Ų | 126 | 97.5 Ų | 97.5 | 55% | 0.553 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.3 | -41.8 | 171.3 | -104.7 | -88.7 | 0 | 0 | 0 | 112.3 | V26 A27 G32 L33 F34 | V26-F30 HydrophobicContact CG1-CD2 4.04Å; V26-F30 HydrophobicContact CG1-CE2 4.47Å; V26-F30 WeakPolarHBondContact O-CB 3.31Å; V26-F30 PolarHBondContact O-N 3.32Å; A27-F30 PolarHBondContact O-N 2.91Å; F30-G32 VanDerWaalsContact C-N 3.32Å; F30-G32 PolarHBondContact O-N 3.4Å; F30-L33 PolarHBondContact O-N 3.46Å; F30-F34 HydrophobicContact CD1-CD2 4.23Å; F30-F34 AromaticContact CD1-CE2 3.87Å; F30-F34 HydrophobicContact CD1-CE2 3.87Å; F30-F34 HydrophobicContact CE1-CE2 4.35Å; F30-F34 VanDerWaalsContact O-CD2 3.31Å; F30-F34 WeakPolarHBondContact O-CD2 3.01Å; F30-F34 PolarHBondContact O-N 3.23Å |
| 31 | L | 55.5 | Low | 53.4 | Low | 125 Ų | 125 | 100 Ų | 100 | 65% | 0.654 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.9 | -36.2 | 173 | -96.4 | 139.1 | 0 | 0 | 0 | 112.1 | A27 F34 A35 | A27-L31 WeakPolarHBondContact O-CB 3.15Å; A27-L31 WeakPolarHBondContact O-CD1 3.27Å; A27-L31 PolarHBondContact O-N 3.37Å; L31-F34 PolarHBondContact O-N 3.09Å; L31-A35 WeakPolarHBondContact O-CB 3.19Å; L31-A35 PolarHBondContact O-N 3.3Å |
| 32 | G | 51.6 | Low | 53.3 | Low | 43 Ų | 43 | 97.9 Ų | 97.9 | 44% | 0.443 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.6 | -34.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V28 T29 F30 A36 | V28-G32 PolarHBondContact O-N 2.8Å; T29-G32 PolarHBondContact O-N 3.04Å; F30-G32 VanDerWaalsContact C-N 3.32Å; F30-G32 PolarHBondContact O-N 3.4Å; G32-A36 PolarHBondContact O-N 2.97Å |
| 33 | L | 49.5 | Very low | 52.8 | Low | 133 Ų | 133 | 97.4 Ų | 97.4 | 70% | 0.696 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.3 | -34.6 | 173.2 | -97.5 | 95.5 | 0 | 0 | 0 | 112.7 | T29 F30 A36 T37 | T29-L33 WeakPolarHBondContact O-CD1 3.3Å; T29-L33 PolarHBondContact O-N 3.44Å; F30-L33 PolarHBondContact O-N 3.46Å; L33-A36 PolarHBondContact O-N 3.38Å; L33-T37 PolarHBondContact O-N 3.31Å |
| 34 | F | 47.7 | Very low | 52.5 | Low | 144 Ų | 144 | 96.9 Ų | 96.9 | 63% | 0.632 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -76.7 | -21.3 | 174 | -85.2 | -72.4 | 0 | 0 | 0 | 113.6 | F30 L31 A36 T37 | F30-F34 HydrophobicContact CD1-CD2 4.23Å; F30-F34 AromaticContact CD1-CE2 3.87Å; F30-F34 HydrophobicContact CD1-CE2 3.87Å; F30-F34 HydrophobicContact CE1-CE2 4.35Å; F30-F34 VanDerWaalsContact O-CD2 3.31Å; F30-F34 WeakPolarHBondContact O-CD2 3.01Å; F30-F34 PolarHBondContact O-N 3.23Å; L31-F34 PolarHBondContact O-N 3.09Å; F34-A36 VanDerWaalsContact C-N 3.29Å; F34-T37 PolarHBondContact O-OG1 2.97Å |
| 35 | A | 47.4 | Very low | 52.4 | Low | 78 Ų | 78 | 95.2 Ų | 95.2 | 65% | 0.645 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -77.1 | -16.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L31 | L31-A35 WeakPolarHBondContact O-CB 3.19Å; L31-A35 PolarHBondContact O-N 3.3Å |
| 36 | A | 43.4 | Very low | 52.1 | Low | 81 Ų | 81 | 98.8 Ų | 98.8 | 67% | 0.669 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -96.1 | -9.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G32 L33 F34 G38 | G32-A36 PolarHBondContact O-N 2.97Å; L33-A36 PolarHBondContact O-N 3.38Å; F34-A36 VanDerWaalsContact C-N 3.29Å; A36-G38 PolarHBondContact O-N 3.37Å |
| 37 | T | 43.3 | Very low | 51.8 | Low | 88 Ų | 88 | 95.7 Ų | 95.7 | 54% | 0.54 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -69 | 95.2 | 157.1 | 39 | 0 | 0 | 0 | 0 | 106.5 | L33 F34 W39 | L33-T37 PolarHBondContact O-N 3.31Å; F34-T37 PolarHBondContact O-OG1 2.97Å; T37-W39 PolarHBondContact O-N 3.49Å |
| 38 | G | 38.2 | Very low | 52 | Low | 64 Ų | 64 | 96 Ų | 96 | 66% | 0.66 | 56% | 0.559 | S | S | * | * | trans | -40.8 | 128.3 | 175 | 0 | 0 | 0 | 0 | 0 | 108.8 | A36 A40 | A36-G38 PolarHBondContact O-N 3.37Å; G38-A40 PolarHBondContact O-N 2.9Å | ||
| 39 | W | 36.2 | Very low | 52.6 | Low | 245 Ų | 245 | 91.5 Ų | 91.5 | 93% | 0.928 | 53% | 0.531 | S | S | * | . | trans | -54.9 | 102.8 | 155.8 | -68 | 34.6 | 0 | 0 | 0 | 103.1 | T37 E41 | T37-W39 PolarHBondContact O-N 3.49Å; W39-E41 PolarHBondContact O-N 3.47Å | ||
| 40 | A | 38.8 | Very low | 54 | Low | 91 Ų | 91 | 87.7 Ų | 87.7 | 75% | 0.752 | 51% | 0.508 | S | S | * | . | trans | -63.5 | 89.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 102.7 | G38 E42 | G38-A40 PolarHBondContact O-N 2.9Å; A40-E42 VanDerWaalsContact C-N 3.35Å; A40-E42 PolarHBondContact O-N 2.96Å | ||
| 41 | E | 46.8 | Very low | 55.6 | Low | 179 Ų | 179 | 82 Ų | 82 | 84% | 0.836 | 48% | 0.483 | S | S | * | . | trans | -55.8 | 106.8 | 174.4 | -155.2 | 178.3 | -162.5 | 0 | 0 | 104.5 | W39 A43 | W39-E41 PolarHBondContact O-N 3.47Å; E41-A43 PolarHBondContact O-N 3.46Å | ||
| 42 | E | 51.6 | Low | 57.5 | Low | 126 Ų | 126 | 76.1 Ų | 76.1 | 59% | 0.589 | 45% | 0.452 | S | S | * | . | trans | -64.2 | 106.1 | 177.2 | -78.1 | -176.2 | 130.9 | 0 | 0 | 105.8 | A40 S44 R78 | A40-E42 VanDerWaalsContact C-N 3.35Å; A40-E42 PolarHBondContact O-N 2.96Å; E42-S44 PolarHBondContact O-N 2.78Å; E42-R78 IonicContact OE1-CZ 2.66Å; E42-R78 VanDerWaalsContact OE1-CZ 3.31Å; E42-R78 IonicContact OE1-NH1 2.68Å; E42-R78 PolarHBondContact OE1-NH1 2.95Å; E42-R78 IonicContact OE1-NH2 3.42Å; E42-R78 PolarHBondContact OE1-NH2 3.38Å; E42-R78 IonicContact OE2-NH1 3.87Å; E42-R78 PolarHBondContact OE2-NH1 3.25Å | ||
| 43 | A | 54.3 | Low | 59.6 | Low | 44 Ų | 44 | 74 Ų | 74 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | trans | -54.9 | 112.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | E41 | E41-A43 PolarHBondContact O-N 3.46Š| ||
| 44 | S | 57.3 | Low | 61.9 | Low | 53 Ų | 53 | 67.7 Ų | 67.7 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | trans | -125.3 | 138.9 | 177.7 | 77 | 0 | 0 | 0 | 0 | 108.3 | E42 H46 | E42-S44 PolarHBondContact O-N 2.78Å; S44-H46 PolarHBondContact OG-NE2 3.15Å | ||
| 45 | C | 62.6 | Low | 64.2 | Low | 9 Ų | 9 | 60.9 Ų | 60.9 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | trans | -97.5 | 125.7 | -177.2 | -54.2 | 0 | 0 | 0 | 0 | 110 | F79 L219 C223 E225 | C45-F79 HydrophobicContact CB-CD1 4.2Å; C45-F79 HydrophobicContact CB-CE1 3.98Å; C45-L219 VanDerWaalsContact SG-CD2 3.52Å; C45-C223 HydrophobicContact CB-CB 3.74Å; C45-C223 WeakPolarHBondContact CB-SG 3.43Å; C45-C223 WeakPolarHBondContact SG-CB 3.34Å; C45-C223 CovalentContact SG-SG 2Å; C45-C223 PolarHBondContact SG-SG 3.34Å; C45-E225 WeakPolarHBondContact CA-OE1 3.47Å | ||
| 46 | H | 58.8 | Low | 66.5 | Low | 130 Ų | 130 | 57.1 Ų | 57.1 | 60% | 0.602 | 34% | 0.337 | S | S | * | . | trans | -100 | -10 | 179.2 | -64.9 | -62.8 | 0 | 0 | 0 | 113 | S44 E225 | S44-H46 PolarHBondContact OG-NE2 3.15Å; H46-E225 PolarHBondContact N-OE1 3.41Å | ||
| 47 | G | 62.8 | Low | 69 | Low | 17 Ų | 17 | 54.6 Ų | 54.6 | 18% | 0.175 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -64.3 | 161.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y49 E225 | G47-Y49 VanDerWaalsContact CA-CE2 3.41Å; G47-Y49 WeakPolarHBondContact O-CD2 3.39Å; G47-E225 PolarHBondContact N-OE1 2.95Å; G47-E225 VanDerWaalsContact N-OE1 3.15Å |
| 48 | A | 67.2 | Low | 71.4 | Confident | 54 Ų | 54 | 50.5 Ų | 50.5 | 45% | 0.446 | 29% | 0.285 | S | S | . | . | trans | -91.1 | 112.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | R83 | A48-R83 WeakPolarHBondContact CA-O 3.06Å; A48-R83 HydrophobicContact CB-CB 3.76Å | ||
| 49 | Y | 77.4 | Confident | 73.9 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.9 | -175.8 | -59.6 | -75.9 | 0 | 0 | 0 | 111.3 | G47 M84 R85 I147 C223 T224 | G47-Y49 VanDerWaalsContact CA-CE2 3.41Å; G47-Y49 WeakPolarHBondContact O-CD2 3.39Å; Y49-M84 WeakPolarHBondContact O-CA 3.39Å; Y49-R85 PolarHBondContact O-N 3.33Å; Y49-I147 HydrophobicContact CD1-CD1 3.89Å; Y49-I147 HydrophobicContact CG-CD1 4.29Å; Y49-C223 HydrophobicContact CE2-CB 4.36Å; Y49-T224 WeakPolarHBondContact CE1-OG1 3.26Å; Y49-T224 WeakPolarHBondContact OH-CA 3.48Å; Y49-T224 PolarHBondContact OH-N 3.43Å; Y49-T224 PolarHBondContact OH-O 3.24Å; Y49-T224 PolarHBondContact OH-OG1 3.11Å |
| 50 | D | 87.3 | Confident | 76.5 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.011 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 114.5 | 166.9 | -58.7 | -30.8 | 0 | 0 | 0 | 109.2 | Y52 R85 L101 Q140 S144 S145 I147 | D50-Y52 HydrophobicContact CB-CD2 4.46Å; D50-Y52 HydrophobicContact CB-CE2 3.71Å; D50-R85 WeakPolarHBondContact CA-O 3.4Å; D50-R85 IonicContact OD1-CZ 3.19Å; D50-R85 IonicContact OD1-NE 2.71Å; D50-R85 PolarHBondContact OD1-NE 3.18Å; D50-R85 IonicContact OD1-NH2 2.85Å; D50-R85 PolarHBondContact OD1-NH2 3.29Å; D50-R85 IonicContact OD2-CZ 3.73Å; D50-R85 IonicContact OD2-NE 3.98Å; D50-R85 IonicContact OD2-NH2 2.73Å; D50-R85 PolarHBondContact OD2-NH2 2.9Å; D50-L101 HydrophobicContact CB-CD1 3.93Å; D50-L101 HydrophobicContact CB-CD2 4.24Å; D50-Q140 PolarHBondContact OD2-NE2 2.82Å; D50-Q140 PolarHBondContact OD2-OE1 3.39Å; D50-S144 VanDerWaalsContact OD2-CB 3.31Å; D50-S144 WeakPolarHBondContact OD2-CB 3.33Å; D50-S144 PolarHBondContact OD2-OG 2.77Å; D50-S145 PolarHBondContact N-O 2.82Å; D50-I147 PolarHBondContact O-N 2.91Å |
| 51 | L | 89.7 | Confident | 78.9 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 116.9 | -178.8 | -175.6 | 63.7 | 0 | 0 | 0 | 110.3 | F53 L75 F79 R85 V86 S87 I147 L149 | L51-F53 HydrophobicContact CD2-CD2 4.29Å; L51-F53 HydrophobicContact CD2-CE1 4.38Å; L51-F53 HydrophobicContact CD2-CE2 3.5Å; L51-F53 VanDerWaalsContact CD2-CE2 3.5Å; L51-F53 HydrophobicContact CD2-CZ 3.6Å; L51-F53 HydrophobicContact CG-CD2 4.24Å; L51-F53 HydrophobicContact CG-CE2 3.93Å; L51-F53 HydrophobicContact CG-CZ 4.35Å; L51-L75 HydrophobicContact CD2-CD2 3.45Å; L51-L75 VanDerWaalsContact CD2-CD2 3.45Å; L51-F79 HydrophobicContact CD2-CD2 4.3Å; L51-F79 HydrophobicContact CD2-CE2 4.04Å; L51-R85 PolarHBondContact N-O 2.75Å; L51-V86 CarbonylContact O-C 3.59Å; L51-V86 WeakPolarHBondContact O-CA 3.14Å; L51-S87 PolarHBondContact O-N 3.16Å; L51-I147 HydrophobicContact CD1-CB 4.07Å; L51-I147 HydrophobicContact CD1-CG2 3.83Å; L51-L149 HydrophobicContact CD1-CB 4.22Å |
| 52 | Y | 95 | Very high | 80.9 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 108.5 | 176.3 | -61.9 | -92.8 | 0 | 0 | 0 | 109.1 | D50 S87 L101 A133 Q136 I137 Q140 I147 I148 L149 | D50-Y52 HydrophobicContact CB-CD2 4.46Å; D50-Y52 HydrophobicContact CB-CE2 3.71Å; Y52-S87 VanDerWaalsContact CD1-CB 3.49Å; Y52-L101 HydrophobicContact CE1-CB 4.34Å; Y52-L101 HydrophobicContact CE1-CD1 4.13Å; Y52-L101 HydrophobicContact CE2-CD1 4.44Å; Y52-L101 WeakPolarHBondContact OH-CD2 3.23Å; Y52-A133 HydrophobicContact CD1-CB 4.17Å; Y52-A133 HydrophobicContact CG-CB 4.29Å; Y52-Q136 HydrophobicContact CE1-CB 3.69Å; Y52-I137 HydrophobicContact CD2-CD1 4.12Å; Y52-I137 HydrophobicContact CD2-CG1 4.15Å; Y52-I137 HydrophobicContact CE1-CG1 4.16Å; Y52-I137 HydrophobicContact CE2-CD1 3.84Å; Y52-I137 HydrophobicContact CE2-CG1 3.41Å; Y52-I137 VanDerWaalsContact CE2-CG1 3.41Å; Y52-I137 WeakPolarHBondContact OH-CG1 3.25Å; Y52-Q140 PolarHBondContact OH-NE2 2.73Å; Y52-I147 PolarHBondContact N-O 3.3Å; Y52-I148 WeakPolarHBondContact O-CA 2.92Å; Y52-L149 PolarHBondContact O-N 3.11Å |
| 53 | F | 96.7 | Very high | 82.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 124.9 | 169.1 | -68 | -90.3 | 0 | 0 | 0 | 109.5 | L51 L55 V72 L75 V86 S87 F88 V89 L149 | L51-F53 HydrophobicContact CD2-CD2 4.29Å; L51-F53 HydrophobicContact CD2-CE1 4.38Å; L51-F53 HydrophobicContact CD2-CE2 3.5Å; L51-F53 VanDerWaalsContact CD2-CE2 3.5Å; L51-F53 HydrophobicContact CD2-CZ 3.6Å; L51-F53 HydrophobicContact CG-CD2 4.24Å; L51-F53 HydrophobicContact CG-CE2 3.93Å; L51-F53 HydrophobicContact CG-CZ 4.35Å; F53-L55 HydrophobicContact CB-CD1 4.22Å; F53-L55 HydrophobicContact CB-CD2 4.07Å; F53-L55 HydrophobicContact CB-CG 4Å; F53-L55 HydrophobicContact CD1-CD2 4.33Å; F53-V72 HydrophobicContact CD1-CG1 4.16Å; F53-V72 HydrophobicContact CD1-CG2 3.88Å; F53-V72 HydrophobicContact CD2-CG1 4.3Å; F53-V72 HydrophobicContact CE1-CB 4.28Å; F53-V72 HydrophobicContact CE1-CG1 4.02Å; F53-V72 HydrophobicContact CE1-CG2 4.01Å; F53-V72 HydrophobicContact CE2-CG1 4.17Å; F53-V72 HydrophobicContact CG-CG1 4.24Å; F53-V72 HydrophobicContact CZ-CG1 3.98Å; F53-L75 HydrophobicContact CE1-CB 4.45Å; F53-L75 HydrophobicContact CE1-CD2 3.63Å; F53-L75 HydrophobicContact CE2-CD2 4.34Å; F53-L75 HydrophobicContact CZ-CB 4.24Å; F53-L75 HydrophobicContact CZ-CD2 3.27Å; F53-L75 HydrophobicContact CZ-CG 4.34Å; F53-V86 HydrophobicContact CD2-CG1 3.66Å; F53-V86 HydrophobicContact CE2-CG1 3.55Å; F53-S87 PolarHBondContact N-O 2.89Å; F53-F88 HydrophobicContact CB-CD1 4.08Å; F53-F88 AromaticContact CD2-CD1 3.58Å; F53-F88 HydrophobicContact CD2-CD1 3.58Å; F53-F88 AromaticContact CD2-CE1 3.53Å; F53-F88 HydrophobicContact CD2-CE1 3.53Å; F53-F88 HydrophobicContact CE2-CD1 4.26Å; F53-F88 AromaticContact CE2-CE1 3.73Å; F53-F88 HydrophobicContact CE2-CE1 3.73Å; F53-F88 HydrophobicContact CG-CD1 4.11Å; F53-F88 HydrophobicContact CG-CE1 4.33Å; F53-V89 WeakPolarHBondContact O-CA 3.42Å; F53-V89 WeakPolarHBondContact O-CB 3.48Å; F53-V89 PolarHBondContact O-N 3.46Å; F53-V89 VanDerWaalsContact O-O 3.08Å; F53-L149 HydrophobicContact CD1-CD2 4.03Å; F53-L149 HydrophobicContact CE1-CD2 3.84Å |
| 54 | V | 97.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 101.6 | 174.3 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | V89 F91 I130 A133 I148 L149 A150 L151 | V54-V89 CarbonylContact C-O 3.5Å; V54-V89 WeakPolarHBondContact CA-O 3.49Å; V54-V89 HydrophobicContact CG2-CB 4.42Å; V54-F91 HydrophobicContact CG1-CD1 3.56Å; V54-F91 HydrophobicContact CG1-CE1 3.73Å; V54-I130 HydrophobicContact CG1-CG1 4.44Å; V54-A133 HydrophobicContact CG2-CB 3.98Å; V54-I148 HydrophobicContact CB-CG2 4.46Å; V54-I148 HydrophobicContact CG2-CG2 3.73Å; V54-L149 PolarHBondContact N-O 3.24Å; V54-A150 HydrophobicContact CB-CB 4.31Å; V54-A150 CarbonylContact O-C 3.56Å; V54-A150 VanDerWaalsContact O-CA 3.28Å; V54-A150 WeakPolarHBondContact O-CA 2.96Å; V54-L151 PolarHBondContact O-N 2.97Å |
| 55 | L | 96.6 | Very high | 86 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.3 | -163.6 | -55.5 | 171.6 | 0 | 0 | 0 | 111 | F53 R57 W65 I68 V72 V89 T90 F91 L115 L151 | F53-L55 HydrophobicContact CB-CD1 4.22Å; F53-L55 HydrophobicContact CB-CD2 4.07Å; F53-L55 HydrophobicContact CB-CG 4Å; F53-L55 HydrophobicContact CD1-CD2 4.33Å; L55-R57 PolarHBondContact O-N 3.29Å; L55-W65 HydrophobicContact CB-CH2 4.42Å; L55-I68 HydrophobicContact CD2-CG2 4.09Å; L55-V72 HydrophobicContact CD1-CG2 3.76Å; L55-V72 HydrophobicContact CD2-CG2 3.65Å; L55-V72 HydrophobicContact CG-CG2 4.36Å; L55-V89 PolarHBondContact N-O 3.22Å; L55-T90 HydrophobicContact CB-CG2 4.29Å; L55-T90 CarbonylContact O-C 3.55Å; L55-T90 VanDerWaalsContact O-CA 3.26Å; L55-T90 WeakPolarHBondContact O-CA 2.85Å; L55-F91 VanDerWaalsContact C-CE1 3.44Å; L55-F91 WeakPolarHBondContact O-CD1 3Å; L55-F91 PolarHBondContact O-N 2.84Å; L55-L115 HydrophobicContact CD1-CD1 3.6Å; L55-L115 HydrophobicContact CD1-CD2 3.86Å; L55-L115 HydrophobicContact CD1-CG 4.38Å; L55-L151 HydrophobicContact CD2-CB 4.18Å |
| 56 | D | 95.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 116.8 | 173.6 | -166.7 | -19.1 | 0 | 0 | 0 | 110.5 | S58 V61 W65 F91 T124 L151 T152 | D56-S58 WeakPolarHBondContact OD1-CB 3.46Å; D56-S58 PolarHBondContact OD1-N 2.91Å; D56-S58 PolarHBondContact OD1-OG 3.3Å; D56-V61 HydrophobicContact CB-CG1 4.42Å; D56-V61 WeakPolarHBondContact O-CG2 3.32Å; D56-W65 VanDerWaalsContact O-CZ3 3.29Å; D56-W65 WeakPolarHBondContact O-CZ3 3.39Å; D56-F91 HydrophobicContact CB-CE1 3.99Å; D56-F91 HydrophobicContact CB-CE2 3.96Å; D56-F91 HydrophobicContact CB-CZ 3.49Å; D56-F91 VanDerWaalsContact CB-CZ 3.49Å; D56-F91 VanDerWaalsContact N-CE1 3.29Å; D56-T124 VanDerWaalsContact OD2-CG2 3.26Å; D56-T124 WeakPolarHBondContact OD2-CG2 3.38Å; D56-L151 WeakPolarHBondContact CB-O 3.2Å; D56-L151 PolarHBondContact N-O 3.37Å; D56-T152 PolarHBondContact OD2-OG1 2.56Å |
| 57 | R | 95.2 | Very high | 88.8 | Confident | 28 Ų | 28 | 35.2 Ų | 35.2 | 11% | 0.106 | 19% | 0.191 | C | C | . | . | trans | -115.7 | 27.5 | 172.2 | 69.9 | 163.5 | -175.3 | 85.8 | 0.8 | 112 | L55 W65 T90 F91 S92 V118 P120 A121 | L55-R57 PolarHBondContact O-N 3.29Å; R57-W65 HydrophobicContact CB-CE3 4.45Å; R57-W65 HydrophobicContact CB-CH2 4.04Å; R57-W65 HydrophobicContact CB-CZ3 3.81Å; R57-T90 WeakPolarHBondContact CD-OG1 3.2Å; R57-T90 PolarHBondContact NE-OG1 3.06Å; R57-F91 WeakPolarHBondContact CG-O 3.2Å; R57-F91 PolarHBondContact N-O 2.76Å; R57-S92 PolarHBondContact NH1-OG 3.26Å; R57-S92 VanDerWaalsContact NH1-OG 3.1Å; R57-S92 PolarHBondContact NH2-OG 2.86Å; R57-V118 HydrophobicContact CB-CG1 4.06Å; R57-V118 HydrophobicContact CG-CG1 4.48Å; R57-P120 HydrophobicContact CB-CB 4.48Å; R57-P120 CarbonylContact O-C 3.54Å; R57-P120 WeakPolarHBondContact O-CA 3.32Å; R57-P120 WeakPolarHBondContact O-CB 3.43Å; R57-A121 PolarHBondContact O-N 3.09Å | ||
| 58 | S | 93.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.007 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -66.9 | 174.9 | 175.1 | 65.2 | 0 | 0 | 0 | 0 | 112.2 | D56 S60 V61 P120 G122 E123 T124 | D56-S58 WeakPolarHBondContact OD1-CB 3.46Å; D56-S58 PolarHBondContact OD1-N 2.91Å; D56-S58 PolarHBondContact OD1-OG 3.3Å; S58-S60 VanDerWaalsContact C-N 3.26Å; S58-S60 PolarHBondContact O-N 2Å; S58-S60 PolarHBondContact OG-OG 3.27Å; S58-V61 WeakPolarHBondContact O-CG2 3.38Å; S58-P120 VanDerWaalsContact O-CB 3.27Å; S58-P120 WeakPolarHBondContact O-CB 3.26Å; S58-G122 WeakPolarHBondContact CA-O 3.34Å; S58-G122 WeakPolarHBondContact CB-O 3.17Å; S58-E123 VanDerWaalsContact CB-O 3.25Å; S58-E123 WeakPolarHBondContact CB-O 3.43Å; S58-T124 WeakPolarHBondContact CB-OG1 3.41Å; S58-T124 PolarHBondContact OG-OG1 2.9Å |
| 59 | G | 91.5 | Very high | 91.5 | Very high | 39 Ų | 39 | 33.5 Ų | 33.5 | 40% | 0.402 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -64.6 | -24.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S62 G122 | G59-S62 WeakPolarHBondContact O-CB 3.43Å; G59-S62 PolarHBondContact O-N 2.85Å; G59-G122 PolarHBondContact N-O 2.84Å |
| 60 | S | 89.8 | Confident | 92.1 | Very high | 66 Ų | 66 | 34.2 Ų | 34.2 | 46% | 0.462 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -66 | -40 | -178.3 | 50.6 | 0 | 0 | 0 | 0 | 112.3 | S58 S62 D153 | S58-S60 VanDerWaalsContact C-N 3.26Å; S58-S60 PolarHBondContact O-N 2Å; S58-S60 PolarHBondContact OG-OG 3.27Å; S60-S62 VanDerWaalsContact C-N 3.26Å; S60-S62 PolarHBondContact O-N 2.93Å; S60-D153 WeakPolarHBondContact CB-OD1 3.47Å; S60-D153 WeakPolarHBondContact CB-OD2 3.38Å; S60-D153 PolarHBondContact OG-OD1 2.88Å; S60-D153 PolarHBondContact OG-OD2 3.37Å |
| 61 | V | 89.4 | Confident | 92.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -80.6 | 1.2 | -178.1 | -62.7 | 0 | 0 | 0 | 0 | 114.2 | D56 S58 R63 N64 W65 I68 P120 D153 F208 | D56-V61 HydrophobicContact CB-CG1 4.42Å; D56-V61 WeakPolarHBondContact O-CG2 3.32Å; S58-V61 WeakPolarHBondContact O-CG2 3.38Å; V61-R63 PolarHBondContact O-N 2.73Å; V61-R63 VanDerWaalsContact O-N 3.09Å; V61-N64 CarbonylContact O-C 3.27Å; V61-N64 PolarHBondContact O-N 2.71Å; V61-W65 HydrophobicContact CG2-CE3 4.39Å; V61-W65 PolarHBondContact O-N 3.17Å; V61-I68 HydrophobicContact CB-CD1 3.89Å; V61-I68 HydrophobicContact CG1-CD1 3.88Å; V61-I68 HydrophobicContact CG2-CD1 4.35Å; V61-P120 HydrophobicContact CG2-CB 3.89Å; V61-P120 HydrophobicContact CG2-CG 4.37Å; V61-D153 HydrophobicContact CG1-CB 3.72Å; V61-D153 WeakPolarHBondContact CG1-OD1 3.38Å; V61-D153 WeakPolarHBondContact CG1-OD2 3.34Å; V61-D153 PolarHBondContact N-OD2 3.2Å; V61-F208 HydrophobicContact CG1-CZ 4.3Å |
| 62 | S | 88.9 | Confident | 92.4 | Very high | 62 Ų | 62 | 33.9 Ų | 33.9 | 43% | 0.434 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -59.2 | -32.7 | -164.7 | 84 | 0 | 0 | 0 | 0 | 114.3 | G59 S60 | G59-S62 WeakPolarHBondContact O-CB 3.43Å; G59-S62 PolarHBondContact O-N 2.85Å; S60-S62 VanDerWaalsContact C-N 3.26Å; S60-S62 PolarHBondContact O-N 2.93Å |
| 63 | R | 88.9 | Confident | 92.2 | Very high | 233 Ų | 233 | 37.3 Ų | 37.3 | 88% | 0.879 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -81.7 | -15.9 | 179.3 | -64.1 | -178.3 | -177.6 | 160.3 | 2.3 | 113.4 | V61 | V61-R63 PolarHBondContact O-N 2.73Å; V61-R63 VanDerWaalsContact O-N 3.09Å |
| 64 | N | 89.1 | Confident | 91.8 | Very high | 47 Ų | 47 | 39.7 Ų | 39.7 | 25% | 0.251 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119 | 4.6 | -169.9 | -64.6 | 84.6 | 0 | 0 | 0 | 112.7 | V61 F66 E67 I68 F208 | V61-N64 CarbonylContact O-C 3.27Å; V61-N64 PolarHBondContact O-N 2.71Å; N64-F66 VanDerWaalsContact C-N 3.27Å; N64-F66 PolarHBondContact O-N 2.98Å; N64-E67 VanDerWaalsContact CB-OE2 3.31Å; N64-E67 WeakPolarHBondContact CB-OE2 3.42Å; N64-E67 PolarHBondContact ND2-OE2 3.36Å; N64-E67 WeakPolarHBondContact O-CB 3.47Å; N64-E67 PolarHBondContact O-N 3.48Å; N64-I68 PolarHBondContact O-N 3.27Å; N64-F208 HydrophobicContact CB-CD1 4.29Å; N64-F208 HydrophobicContact CB-CD2 3.52Å; N64-F208 HydrophobicContact CB-CE1 4.34Å; N64-F208 HydrophobicContact CB-CE2 3.55Å; N64-F208 HydrophobicContact CB-CG 3.92Å; N64-F208 HydrophobicContact CB-CZ 3.97Å |
| 65 | W | 92.1 | Very high | 91.3 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 6% | 0.057 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -54.9 | -38.3 | -177.8 | -178 | -110.3 | 0 | 0 | 0 | 114.4 | L55 D56 R57 V61 E67 I68 Y69 T90 L115 V118 P120 | L55-W65 HydrophobicContact CB-CH2 4.42Å; D56-W65 VanDerWaalsContact O-CZ3 3.29Å; D56-W65 WeakPolarHBondContact O-CZ3 3.39Å; R57-W65 HydrophobicContact CB-CE3 4.45Å; R57-W65 HydrophobicContact CB-CH2 4.04Å; R57-W65 HydrophobicContact CB-CZ3 3.81Å; V61-W65 HydrophobicContact CG2-CE3 4.39Å; V61-W65 PolarHBondContact O-N 3.17Å; W65-E67 PolarHBondContact O-N 3.46Å; W65-E67 VanDerWaalsContact O-N 3.15Å; W65-I68 HydrophobicContact CE3-CB 4.29Å; W65-I68 HydrophobicContact CE3-CD1 3.9Å; W65-I68 HydrophobicContact CE3-CG2 4.4Å; W65-I68 HydrophobicContact CZ3-CB 4.5Å; W65-I68 HydrophobicContact CZ3-CD1 4.21Å; W65-I68 HydrophobicContact CZ3-CG2 4.11Å; W65-I68 WeakPolarHBondContact O-CB 3.32Å; W65-I68 PolarHBondContact O-N 3.22Å; W65-I68 VanDerWaalsContact O-N 3.14Å; W65-Y69 PolarHBondContact O-N 2.75Å; W65-T90 HydrophobicContact CH2-CG2 4.11Å; W65-L115 HydrophobicContact CH2-CD1 3.84Å; W65-L115 HydrophobicContact CZ2-CD1 3.56Å; W65-L115 HydrophobicContact CZ2-CG 4.07Å; W65-L115 WeakPolarHBondContact CZ2-O 3.45Å; W65-L115 PolarHBondContact NE1-O 3.26Å; W65-V118 HydrophobicContact CH2-CB 4.43Å; W65-V118 HydrophobicContact CH2-CG1 4.13Å; W65-V118 HydrophobicContact CZ2-CB 3.51Å; W65-V118 HydrophobicContact CZ2-CG1 3.64Å; W65-V118 HydrophobicContact CZ2-CG2 3.98Å; W65-V118 PolarHBondContact NE1-O 2.9Å; W65-P120 HydrophobicContact CB-CG 3.59Å; W65-P120 HydrophobicContact CD2-CG 3.75Å; W65-P120 HydrophobicContact CE3-CG 3.9Å; W65-P120 HydrophobicContact CG-CG 3.61Å |
| 66 | F | 91.4 | Very high | 90.8 | Very high | 132 Ų | 132 | 39.8 Ų | 39.8 | 58% | 0.579 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -59 | -29.5 | 178 | -176.5 | -100.3 | 0 | 0 | 0 | 112.3 | N64 Y69 S70 | N64-F66 VanDerWaalsContact C-N 3.27Å; N64-F66 PolarHBondContact O-N 2.98Å; F66-Y69 HydrophobicContact CD2-CD1 4.12Å; F66-Y69 HydrophobicContact CE2-CD1 4.08Å; F66-Y69 HydrophobicContact CE2-CE1 4.23Å; F66-S70 VanDerWaalsContact O-CB 3.32Å; F66-S70 WeakPolarHBondContact O-CB 3.34Å; F66-S70 PolarHBondContact O-N 3.16Å |
| 67 | E | 90.1 | Very high | 90.3 | Very high | 27 Ų | 27 | 43.5 Ų | 43.5 | 13% | 0.126 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -79.3 | -36.5 | 179.4 | -54.5 | 174.1 | 101.3 | 0 | 0 | 111.8 | N64 W65 S70 F71 F208 H209 | N64-E67 VanDerWaalsContact CB-OE2 3.31Å; N64-E67 WeakPolarHBondContact CB-OE2 3.42Å; N64-E67 PolarHBondContact ND2-OE2 3.36Å; N64-E67 WeakPolarHBondContact O-CB 3.47Å; N64-E67 PolarHBondContact O-N 3.48Å; W65-E67 PolarHBondContact O-N 3.46Å; W65-E67 VanDerWaalsContact O-N 3.15Å; E67-S70 PolarHBondContact O-N 2.94Å; E67-F71 WeakPolarHBondContact O-CB 2.96Å; E67-F71 PolarHBondContact O-N 3.37Å; E67-F208 HydrophobicContact CB-CB 3.54Å; E67-F208 HydrophobicContact CB-CD1 4.28Å; E67-F208 HydrophobicContact CB-CG 4.23Å; E67-F208 HydrophobicContact CG-CB 4Å; E67-F208 WeakPolarHBondContact OE1-CB 3.24Å; E67-F208 WeakPolarHBondContact OE2-CB 3.35Å; E67-H209 IonicContact OE1-CD2 3.98Å; E67-H209 IonicContact OE1-CE1 2.95Å; E67-H209 PolarHBondContact OE1-CE1 3.14Å; E67-H209 IonicContact OE1-CG 3.39Å; E67-H209 PolarHBondContact OE1-N 3.14Å; E67-H209 IonicContact OE1-ND1 3.01Å; E67-H209 PolarHBondContact OE1-ND1 3.45Å; E67-H209 IonicContact OE1-NE2 3.77Å |
| 68 | I | 91.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -50.4 | 169.2 | -61.1 | 174.9 | 0 | 0 | 0 | 109.3 | L55 V61 N64 W65 S70 F71 V72 L151 F208 | L55-I68 HydrophobicContact CD2-CG2 4.09Å; V61-I68 HydrophobicContact CB-CD1 3.89Å; V61-I68 HydrophobicContact CG1-CD1 3.88Å; V61-I68 HydrophobicContact CG2-CD1 4.35Å; N64-I68 PolarHBondContact O-N 3.27Å; W65-I68 HydrophobicContact CE3-CB 4.29Å; W65-I68 HydrophobicContact CE3-CD1 3.9Å; W65-I68 HydrophobicContact CE3-CG2 4.4Å; W65-I68 HydrophobicContact CZ3-CB 4.5Å; W65-I68 HydrophobicContact CZ3-CD1 4.21Å; W65-I68 HydrophobicContact CZ3-CG2 4.11Å; W65-I68 WeakPolarHBondContact O-CB 3.32Å; W65-I68 PolarHBondContact O-N 3.22Å; W65-I68 VanDerWaalsContact O-N 3.14Å; I68-S70 PolarHBondContact O-N 2.89Å; I68-F71 WeakPolarHBondContact O-CB 3.4Å; I68-F71 PolarHBondContact O-N 3.3Å; I68-V72 WeakPolarHBondContact O-CG2 3.46Å; I68-V72 PolarHBondContact O-N 2.75Å; I68-L151 HydrophobicContact CD1-CD2 3.79Å; I68-L151 HydrophobicContact CG1-CD2 3.81Å; I68-L151 HydrophobicContact CG2-CD1 4.34Å; I68-L151 HydrophobicContact CG2-CD2 4.24Å; I68-F208 HydrophobicContact CD1-CE1 3.69Å; I68-F208 HydrophobicContact CD1-CZ 4.38Å; I68-F208 HydrophobicContact CG1-CD1 3.77Å; I68-F208 HydrophobicContact CG1-CE1 3.42Å; I68-F208 VanDerWaalsContact CG1-CE1 3.42Å; I68-F208 HydrophobicContact CG1-CZ 4.49Å |
| 69 | Y | 93.8 | Very high | 88.4 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 14% | 0.137 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.9 | -49 | 174.1 | 162.4 | -101.6 | 0 | 0 | 0 | 111.6 | W65 F66 F71 V72 K73 L112 L115 H116 | W65-Y69 PolarHBondContact O-N 2.75Å; F66-Y69 HydrophobicContact CD2-CD1 4.12Å; F66-Y69 HydrophobicContact CE2-CD1 4.08Å; F66-Y69 HydrophobicContact CE2-CE1 4.23Å; Y69-F71 VanDerWaalsContact C-N 3.28Å; Y69-F71 PolarHBondContact O-N 3.33Å; Y69-V72 PolarHBondContact O-N 2.52Å; Y69-K73 HydrophobicContact CE1-CD 4.45Å; Y69-K73 WeakPolarHBondContact O-CB 3.21Å; Y69-K73 PolarHBondContact O-N 3.16Å; Y69-L112 HydrophobicContact CE2-CB 4.38Å; Y69-L112 HydrophobicContact CE2-CD2 4.41Å; Y69-L112 WeakPolarHBondContact CE2-O 3.36Å; Y69-L115 HydrophobicContact CD2-CB 4.49Å; Y69-L115 HydrophobicContact CD2-CD2 4.3Å; Y69-L115 HydrophobicContact CD2-CG 4.38Å; Y69-H116 AromaticContact CD1-CD2 4Å; Y69-H116 HydrophobicContact CD2-CB 3.97Å; Y69-H116 AromaticContact CE1-CD2 3.67Å; Y69-H116 HydrophobicContact CE2-CB 3.71Å; Y69-H116 HydrophobicContact CG-CB 4.47Å; Y69-H116 AromaticContact CZ-CD2 3.89Å |
| 70 | S | 91.4 | Very high | 86.9 | Confident | 24 Ų | 24 | 50.5 Ų | 50.5 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -36.6 | 179.4 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | F66 E67 I68 N74 | F66-S70 VanDerWaalsContact O-CB 3.32Å; F66-S70 WeakPolarHBondContact O-CB 3.34Å; F66-S70 PolarHBondContact O-N 3.16Å; E67-S70 PolarHBondContact O-N 2.94Å; I68-S70 PolarHBondContact O-N 2.89Å; S70-N74 VanDerWaalsContact O-CB 3.29Å; S70-N74 WeakPolarHBondContact O-CB 3.03Å; S70-N74 PolarHBondContact O-N 3.36Å; S70-N74 PolarHBondContact O-ND2 2.94Å; S70-N74 VanDerWaalsContact O-ND2 3.13Å |
| 71 | F | 90.3 | Very high | 85.8 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.7 | -50.2 | 175.6 | 166.9 | -104.7 | 0 | 0 | 0 | 111.3 | E67 I68 Y69 K73 N74 L75 L149 L151 V181 L211 V215 I218 | E67-F71 WeakPolarHBondContact O-CB 2.96Å; E67-F71 PolarHBondContact O-N 3.37Å; I68-F71 WeakPolarHBondContact O-CB 3.4Å; I68-F71 PolarHBondContact O-N 3.3Å; Y69-F71 VanDerWaalsContact C-N 3.28Å; Y69-F71 PolarHBondContact O-N 3.33Å; F71-K73 VanDerWaalsContact C-N 3.32Å; F71-K73 PolarHBondContact O-N 2.99Å; F71-N74 PolarHBondContact O-N 3.12Å; F71-L75 HydrophobicContact CE1-CD1 4.44Å; F71-L75 HydrophobicContact CE2-CD1 3.92Å; F71-L75 HydrophobicContact CZ-CD1 3.71Å; F71-L75 WeakPolarHBondContact O-CB 3.48Å; F71-L75 PolarHBondContact O-N 2.98Å; F71-L149 HydrophobicContact CE1-CD2 4.1Å; F71-L149 HydrophobicContact CZ-CD2 4.11Å; F71-L151 HydrophobicContact CD1-CD1 3.73Å; F71-L151 HydrophobicContact CE1-CD1 3.91Å; F71-V181 HydrophobicContact CZ-CG2 4.46Å; F71-L211 HydrophobicContact CB-CB 3.92Å; F71-L211 HydrophobicContact CB-CD1 3.94Å; F71-L211 HydrophobicContact CB-CG 4.44Å; F71-L211 HydrophobicContact CD2-CB 3.66Å; F71-L211 HydrophobicContact CD2-CD2 4.13Å; F71-L211 HydrophobicContact CD2-CG 4.38Å; F71-L211 WeakPolarHBondContact CD2-O 3.4Å; F71-L211 HydrophobicContact CE2-CB 4.44Å; F71-L211 HydrophobicContact CE2-CD2 4.31Å; F71-L211 HydrophobicContact CG-CB 3.98Å; F71-L211 HydrophobicContact CG-CD1 4.23Å; F71-L211 HydrophobicContact CG-CD2 4.25Å; F71-L211 HydrophobicContact CG-CG 4.41Å; F71-V215 HydrophobicContact CD2-CG2 4.05Å; F71-V215 HydrophobicContact CE2-CG2 3.96Å; F71-I218 HydrophobicContact CE2-CD1 3.92Å; F71-I218 HydrophobicContact CZ-CD1 3.56Å |
| 72 | V | 92.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 178 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | F53 L55 I68 Y69 L75 T76 F88 L112 L115 | F53-V72 HydrophobicContact CD1-CG1 4.16Å; F53-V72 HydrophobicContact CD1-CG2 3.88Å; F53-V72 HydrophobicContact CD2-CG1 4.3Å; F53-V72 HydrophobicContact CE1-CB 4.28Å; F53-V72 HydrophobicContact CE1-CG1 4.02Å; F53-V72 HydrophobicContact CE1-CG2 4.01Å; F53-V72 HydrophobicContact CE2-CG1 4.17Å; F53-V72 HydrophobicContact CG-CG1 4.24Å; F53-V72 HydrophobicContact CZ-CG1 3.98Å; L55-V72 HydrophobicContact CD1-CG2 3.76Å; L55-V72 HydrophobicContact CD2-CG2 3.65Å; L55-V72 HydrophobicContact CG-CG2 4.36Å; I68-V72 WeakPolarHBondContact O-CG2 3.46Å; I68-V72 PolarHBondContact O-N 2.75Å; Y69-V72 PolarHBondContact O-N 2.52Å; V72-L75 PolarHBondContact O-N 3.24Å; V72-T76 VanDerWaalsContact O-CB 3.28Å; V72-T76 WeakPolarHBondContact O-CB 3.41Å; V72-T76 PolarHBondContact O-N 2.93Å; V72-T76 PolarHBondContact O-OG1 3.31Å; V72-F88 HydrophobicContact CG1-CD1 4Å; V72-F88 HydrophobicContact CG1-CE1 3.45Å; V72-F88 VanDerWaalsContact CG1-CE1 3.45Å; V72-F88 HydrophobicContact CG1-CZ 3.96Å; V72-L112 HydrophobicContact CG1-CD2 4.18Å; V72-L115 HydrophobicContact CB-CD2 4.01Å; V72-L115 HydrophobicContact CG1-CD2 3.76Å; V72-L115 HydrophobicContact CG2-CD2 4.29Å |
| 73 | K | 91.5 | Very high | 83.8 | Confident | 72 Ų | 72 | 59.3 Ų | 59.3 | 31% | 0.313 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.3 | -52.8 | 175.2 | -176.5 | -177.6 | -176.4 | -60 | 0 | 111.4 | Y69 F71 L75 T76 D77 L112 | Y69-K73 HydrophobicContact CE1-CD 4.45Å; Y69-K73 WeakPolarHBondContact O-CB 3.21Å; Y69-K73 PolarHBondContact O-N 3.16Å; F71-K73 VanDerWaalsContact C-N 3.32Å; F71-K73 PolarHBondContact O-N 2.99Å; K73-L75 VanDerWaalsContact C-N 3.29Å; K73-L75 PolarHBondContact O-N 3.46Å; K73-T76 PolarHBondContact O-N 3.22Å; K73-D77 IonicContact NZ-OD2 3.22Å; K73-D77 PolarHBondContact NZ-OD2 3.41Å; K73-D77 WeakPolarHBondContact O-CB 3.41Å; K73-D77 PolarHBondContact O-N 2.87Å; K73-L112 HydrophobicContact CB-CD2 4.21Å; K73-L112 HydrophobicContact CG-CD1 4.37Å |
| 74 | N | 88.1 | Confident | 83.4 | Confident | 50 Ų | 50 | 48.5 Ų | 48.5 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.2 | -40.7 | -179.2 | -72.9 | -20.8 | 0 | 0 | 0 | 111.9 | S70 F71 R78 | S70-N74 VanDerWaalsContact O-CB 3.29Å; S70-N74 WeakPolarHBondContact O-CB 3.03Å; S70-N74 PolarHBondContact O-N 3.36Å; S70-N74 PolarHBondContact O-ND2 2.94Å; S70-N74 VanDerWaalsContact O-ND2 3.13Å; F71-N74 PolarHBondContact O-N 3.12Å; N74-R78 WeakPolarHBondContact O-CG 3.31Å; N74-R78 PolarHBondContact O-N 3.3Å; N74-R78 VanDerWaalsContact O-N 3.15Å |
| 75 | L | 86.1 | Confident | 83.4 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.9 | -48.8 | 178.4 | -161.4 | 132.1 | 0 | 0 | 0 | 109.9 | L51 F53 F71 V72 K73 D77 R78 F79 L149 V215 I218 | L51-L75 HydrophobicContact CD2-CD2 3.45Å; L51-L75 VanDerWaalsContact CD2-CD2 3.45Å; F53-L75 HydrophobicContact CE1-CB 4.45Å; F53-L75 HydrophobicContact CE1-CD2 3.63Å; F53-L75 HydrophobicContact CE2-CD2 4.34Å; F53-L75 HydrophobicContact CZ-CB 4.24Å; F53-L75 HydrophobicContact CZ-CD2 3.27Å; F53-L75 HydrophobicContact CZ-CG 4.34Å; F71-L75 HydrophobicContact CE1-CD1 4.44Å; F71-L75 HydrophobicContact CE2-CD1 3.92Å; F71-L75 HydrophobicContact CZ-CD1 3.71Å; F71-L75 WeakPolarHBondContact O-CB 3.48Å; F71-L75 PolarHBondContact O-N 2.98Å; V72-L75 PolarHBondContact O-N 3.24Å; K73-L75 VanDerWaalsContact C-N 3.29Å; K73-L75 PolarHBondContact O-N 3.46Å; L75-D77 VanDerWaalsContact C-N 3.31Å; L75-D77 PolarHBondContact O-N 3.44Å; L75-R78 WeakPolarHBondContact O-CB 3.43Å; L75-R78 PolarHBondContact O-N 2.89Å; L75-F79 HydrophobicContact CD2-CD2 3.83Å; L75-F79 HydrophobicContact CD2-CE2 3.31Å; L75-F79 HydrophobicContact CD2-CZ 4.38Å; L75-F79 HydrophobicContact CG-CD2 4.21Å; L75-F79 HydrophobicContact CG-CE2 3.7Å; L75-F79 WeakPolarHBondContact O-CD2 3.41Å; L75-F79 PolarHBondContact O-N 3.31Å; L75-L149 HydrophobicContact CD1-CD2 4.17Å; L75-L149 HydrophobicContact CD2-CD2 4.33Å; L75-V215 HydrophobicContact CB-CG1 4.5Å; L75-V215 HydrophobicContact CD1-CG1 4.25Å; L75-V215 HydrophobicContact CD1-CG2 4.43Å; L75-V215 HydrophobicContact CG-CG1 4.33Å; L75-I218 HydrophobicContact CD1-CB 4.45Å; L75-I218 HydrophobicContact CD1-CD1 4.12Å; L75-I218 HydrophobicContact CD1-CG2 4.15Å |
| 76 | T | 86.7 | Confident | 83.4 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -38.6 | 177.4 | -54.8 | 0 | 0 | 0 | 0 | 112.7 | V72 K73 R78 F79 V86 I108 | V72-T76 VanDerWaalsContact O-CB 3.28Å; V72-T76 WeakPolarHBondContact O-CB 3.41Å; V72-T76 PolarHBondContact O-N 2.93Å; V72-T76 PolarHBondContact O-OG1 3.31Å; K73-T76 PolarHBondContact O-N 3.22Å; T76-R78 VanDerWaalsContact C-N 3.33Å; T76-R78 PolarHBondContact O-N 3.01Å; T76-F79 PolarHBondContact O-N 3.48Å; T76-V86 HydrophobicContact CG2-CG2 4.49Å; T76-I108 HydrophobicContact CG2-CG2 3.52Å |
| 77 | D | 83.9 | Confident | 83.6 | Confident | 78 Ų | 78 | 42.5 Ų | 42.5 | 42% | 0.417 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.7 | -31 | 176.4 | -70.2 | -15.1 | 0 | 0 | 0 | 112.1 | K73 L75 | K73-D77 IonicContact NZ-OD2 3.22Å; K73-D77 PolarHBondContact NZ-OD2 3.41Å; K73-D77 WeakPolarHBondContact O-CB 3.41Å; K73-D77 PolarHBondContact O-N 2.87Å; L75-D77 VanDerWaalsContact C-N 3.31Å; L75-D77 PolarHBondContact O-N 3.44Å |
| 78 | R | 77.4 | Confident | 84 | Confident | 103 Ų | 103 | 41.2 Ų | 41.2 | 39% | 0.389 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -76.7 | -24.6 | 177.1 | -69.5 | -68.1 | -173.2 | -174.2 | 9.1 | 113.2 | E42 N74 L75 T76 V80 V215 L219 | E42-R78 IonicContact OE1-CZ 2.66Å; E42-R78 VanDerWaalsContact OE1-CZ 3.31Å; E42-R78 IonicContact OE1-NH1 2.68Å; E42-R78 PolarHBondContact OE1-NH1 2.95Å; E42-R78 IonicContact OE1-NH2 3.42Å; E42-R78 PolarHBondContact OE1-NH2 3.38Å; E42-R78 IonicContact OE2-NH1 3.87Å; E42-R78 PolarHBondContact OE2-NH1 3.25Å; N74-R78 WeakPolarHBondContact O-CG 3.31Å; N74-R78 PolarHBondContact O-N 3.3Å; N74-R78 VanDerWaalsContact O-N 3.15Å; L75-R78 WeakPolarHBondContact O-CB 3.43Å; L75-R78 PolarHBondContact O-N 2.89Å; T76-R78 VanDerWaalsContact C-N 3.33Å; T76-R78 PolarHBondContact O-N 3.01Å; R78-V80 PolarHBondContact O-N 2.85Å; R78-V215 HydrophobicContact CG-CG1 4.17Å; R78-L219 HydrophobicContact CB-CD1 4.21Å |
| 79 | F | 70.8 | Confident | 84.3 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 4% | 0.039 | 20% | 0.2 | C | C | . | . | trans | -84.4 | 87.5 | 174.1 | -73.2 | -78.7 | 0 | 0 | 0 | 110.6 | C45 L51 L75 T76 M84 R105 L219 | C45-F79 HydrophobicContact CB-CD1 4.2Å; C45-F79 HydrophobicContact CB-CE1 3.98Å; L51-F79 HydrophobicContact CD2-CD2 4.3Å; L51-F79 HydrophobicContact CD2-CE2 4.04Å; L75-F79 HydrophobicContact CD2-CD2 3.83Å; L75-F79 HydrophobicContact CD2-CE2 3.31Å; L75-F79 HydrophobicContact CD2-CZ 4.38Å; L75-F79 HydrophobicContact CG-CD2 4.21Å; L75-F79 HydrophobicContact CG-CE2 3.7Å; L75-F79 WeakPolarHBondContact O-CD2 3.41Å; L75-F79 PolarHBondContact O-N 3.31Å; T76-F79 PolarHBondContact O-N 3.48Å; F79-M84 HydrophobicContact CB-CE 3.31Å; F79-M84 HydrophobicContact CB-CG 4.29Å; F79-M84 HydrophobicContact CB-SD 4.05Å; F79-M84 HydrophobicContact CD1-CG 4.39Å; F79-M84 HydrophobicContact CG-CE 4.3Å; F79-M84 HydrophobicContact CG-SD 4.46Å; F79-M84 WeakPolarHBondContact O-CE 3.43Å; F79-R105 PolarHBondContact O-NH1 3.05Å; F79-R105 PolarHBondContact O-NH2 3.06Å; F79-L219 HydrophobicContact CD1-CD2 3.94Å; F79-L219 HydrophobicContact CD2-CD2 4.21Å; F79-L219 HydrophobicContact CE1-CD2 3.31Å; F79-L219 HydrophobicContact CE2-CD2 3.53Å; F79-L219 HydrophobicContact CE2-CG 4.41Å; F79-L219 HydrophobicContact CG-CD2 4.37Å; F79-L219 HydrophobicContact CZ-CD2 3.09Å; F79-L219 HydrophobicContact CZ-CG 4.15Å | ||
| 80 | V | 60.8 | Low | 84.5 | Confident | 103 Ų | 103 | 39.6 Ų | 39.6 | 62% | 0.624 | 19% | 0.194 | S | C | * | . | trans | -85.9 | -12.1 | -175.4 | -172 | 0 | 0 | 0 | 0 | 113.1 | R78 R105 | R78-V80 PolarHBondContact O-N 2.85Å; V80-R105 VanDerWaalsContact C-NH2 3.34Å; V80-R105 PolarHBondContact O-NH2 3.06Å | ||
| 81 | S | 66.1 | Low | 84.7 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 8% | 0.077 | 19% | 0.186 | C | C | . | . | trans | -63.2 | 128.6 | -175.8 | -177.6 | 0 | 0 | 0 | 0 | 112.6 | R83 M84 | S81-R83 PolarHBondContact O-N 3.43Å; S81-R83 PolarHBondContact OG-N 2.94Å; S81-M84 WeakPolarHBondContact O-CB 3.42Å; S81-M84 PolarHBondContact O-N 3.34Å | ||
| 82 | P | 66.2 | Low | 84.9 | Confident | 120 Ų | 120 | 38.5 Ų | 38.5 | 78% | 0.779 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -8.3 | 175.4 | 28.1 | -34.1 | 0 | 0 | 0 | 113.4 | ||
| 83 | R | 71.8 | Confident | 85 | Confident | 182 Ų | 182 | 41.3 Ų | 41.3 | 69% | 0.687 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 4.6 | 177.1 | -55.6 | -177.6 | -167.8 | 164.3 | 3.8 | 112.9 | A48 S81 | A48-R83 WeakPolarHBondContact CA-O 3.06Å; A48-R83 HydrophobicContact CB-CB 3.76Å; S81-R83 PolarHBondContact O-N 3.43Å; S81-R83 PolarHBondContact OG-N 2.94Å |
| 84 | M | 79.7 | Confident | 85.1 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | trans | -99.9 | 135.9 | -177.6 | -171.8 | -85.2 | -50.6 | 0 | 0 | 109.7 | Y49 F79 S81 V86 | Y49-M84 WeakPolarHBondContact O-CA 3.39Å; F79-M84 HydrophobicContact CB-CE 3.31Å; F79-M84 HydrophobicContact CB-CG 4.29Å; F79-M84 HydrophobicContact CB-SD 4.05Å; F79-M84 HydrophobicContact CD1-CG 4.39Å; F79-M84 HydrophobicContact CG-CE 4.3Å; F79-M84 HydrophobicContact CG-SD 4.46Å; F79-M84 WeakPolarHBondContact O-CE 3.43Å; S81-M84 WeakPolarHBondContact O-CB 3.42Å; S81-M84 PolarHBondContact O-N 3.34Å; M84-V86 HydrophobicContact CE-CG2 3.65Å; M84-V86 HydrophobicContact SD-CG2 3.23Å; M84-V86 WeakPolarHBondContact SD-CG2 3.43Å | ||
| 85 | R | 89.3 | Confident | 85.5 | Confident | 69 Ų | 69 | 44.5 Ų | 44.5 | 26% | 0.26 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.5 | 177.8 | -58.7 | -176.6 | -66.4 | -171.9 | -1.8 | 109.8 | Y49 D50 L51 L101 T102 S144 | Y49-R85 PolarHBondContact O-N 3.33Å; D50-R85 WeakPolarHBondContact CA-O 3.4Å; D50-R85 IonicContact OD1-CZ 3.19Å; D50-R85 IonicContact OD1-NE 2.71Å; D50-R85 PolarHBondContact OD1-NE 3.18Å; D50-R85 IonicContact OD1-NH2 2.85Å; D50-R85 PolarHBondContact OD1-NH2 3.29Å; D50-R85 IonicContact OD2-CZ 3.73Å; D50-R85 IonicContact OD2-NE 3.98Å; D50-R85 IonicContact OD2-NH2 2.73Å; D50-R85 PolarHBondContact OD2-NH2 2.9Å; L51-R85 PolarHBondContact N-O 2.75Å; R85-L101 HydrophobicContact CB-CD1 3.66Å; R85-L101 HydrophobicContact CB-CD2 4.4Å; R85-L101 HydrophobicContact CB-CG 3.81Å; R85-T102 CarbonylContact C-O 3.56Å; R85-T102 VanDerWaalsContact CA-O 3.23Å; R85-T102 WeakPolarHBondContact CA-O 3.39Å; R85-S144 PolarHBondContact NH2-OG 2.83Å |
| 86 | V | 92.4 | Very high | 86 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 141.6 | -176.7 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | L51 F53 T76 M84 F88 L101 T102 I108 | L51-V86 CarbonylContact O-C 3.59Å; L51-V86 WeakPolarHBondContact O-CA 3.14Å; F53-V86 HydrophobicContact CD2-CG1 3.66Å; F53-V86 HydrophobicContact CE2-CG1 3.55Å; T76-V86 HydrophobicContact CG2-CG2 4.49Å; M84-V86 HydrophobicContact CE-CG2 3.65Å; M84-V86 HydrophobicContact SD-CG2 3.23Å; M84-V86 WeakPolarHBondContact SD-CG2 3.43Å; V86-F88 HydrophobicContact CG1-CD1 3.84Å; V86-F88 HydrophobicContact CG1-CE1 3.3Å; V86-F88 HydrophobicContact CG1-CZ 3.91Å; V86-L101 WeakPolarHBondContact O-CA 3.12Å; V86-T102 PolarHBondContact N-O 3.16Å; V86-T102 PolarHBondContact O-N 2.64Å; V86-I108 HydrophobicContact CB-CD1 4.48Å; V86-I108 HydrophobicContact CG2-CD1 4.43Å |
| 87 | S | 95.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.5 | 168.2 | 171.3 | 0 | 0 | 0 | 0 | 109.5 | L51 Y52 F53 L99 Q136 | L51-S87 PolarHBondContact O-N 3.16Å; Y52-S87 VanDerWaalsContact CD1-CB 3.49Å; F53-S87 PolarHBondContact N-O 2.89Å; S87-L99 CarbonylContact C-O 3.49Å; S87-L99 VanDerWaalsContact CA-O 3.25Å; S87-L99 WeakPolarHBondContact CA-O 3.35Å; S87-L99 PolarHBondContact OG-O 3.35Å; S87-L99 VanDerWaalsContact OG-O 3.07Å; S87-Q136 PolarHBondContact OG-NE2 3.12Å; S87-Q136 PolarHBondContact OG-OE1 2.89Å |
| 88 | F | 97.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 114.3 | 172 | -56.3 | -36 | 0 | 0 | 0 | 109.6 | F53 V72 V86 L98 L99 I108 L112 | F53-F88 HydrophobicContact CB-CD1 4.08Å; F53-F88 AromaticContact CD2-CD1 3.58Å; F53-F88 HydrophobicContact CD2-CD1 3.58Å; F53-F88 AromaticContact CD2-CE1 3.53Å; F53-F88 HydrophobicContact CD2-CE1 3.53Å; F53-F88 HydrophobicContact CE2-CD1 4.26Å; F53-F88 AromaticContact CE2-CE1 3.73Å; F53-F88 HydrophobicContact CE2-CE1 3.73Å; F53-F88 HydrophobicContact CG-CD1 4.11Å; F53-F88 HydrophobicContact CG-CE1 4.33Å; V72-F88 HydrophobicContact CG1-CD1 4Å; V72-F88 HydrophobicContact CG1-CE1 3.45Å; V72-F88 VanDerWaalsContact CG1-CE1 3.45Å; V72-F88 HydrophobicContact CG1-CZ 3.96Å; V86-F88 HydrophobicContact CG1-CD1 3.84Å; V86-F88 HydrophobicContact CG1-CE1 3.3Å; V86-F88 HydrophobicContact CG1-CZ 3.91Å; F88-L98 HydrophobicContact CB-CB 4.28Å; F88-L98 PolarHBondContact O-N 3.42Å; F88-L99 HydrophobicContact CB-CB 3.84Å; F88-L99 HydrophobicContact CD2-CB 3.56Å; F88-L99 HydrophobicContact CD2-CD2 3.58Å; F88-L99 HydrophobicContact CD2-CG 4.23Å; F88-L99 HydrophobicContact CE2-CB 4.36Å; F88-L99 HydrophobicContact CE2-CD2 3.53Å; F88-L99 HydrophobicContact CG-CB 3.9Å; F88-L99 HydrophobicContact CG-CD2 4.14Å; F88-L99 HydrophobicContact CZ-CD2 4.09Å; F88-L99 PolarHBondContact N-O 3.3Å; F88-L99 PolarHBondContact O-N 2.98Å; F88-L99 VanDerWaalsContact O-N 3.12Å; F88-I108 HydrophobicContact CZ-CG2 4.48Å; F88-L112 HydrophobicContact CE2-CD2 3.84Å; F88-L112 HydrophobicContact CE2-CG 3.84Å; F88-L112 HydrophobicContact CZ-CD2 3.67Å; F88-L112 HydrophobicContact CZ-CG 3.95Å |
| 89 | V | 98.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 129.6 | 173.9 | -174.5 | 0 | 0 | 0 | 0 | 107.5 | F53 V54 L55 A95 E96 V97 E132 | F53-V89 WeakPolarHBondContact O-CA 3.42Å; F53-V89 WeakPolarHBondContact O-CB 3.48Å; F53-V89 PolarHBondContact O-N 3.46Å; F53-V89 VanDerWaalsContact O-O 3.08Å; V54-V89 CarbonylContact C-O 3.5Å; V54-V89 WeakPolarHBondContact CA-O 3.49Å; V54-V89 HydrophobicContact CG2-CB 4.42Å; L55-V89 PolarHBondContact N-O 3.22Å; V89-A95 HydrophobicContact CG1-CB 4.47Å; V89-E96 WeakPolarHBondContact CA-O 3.22Å; V89-V97 HydrophobicContact CG2-CG2 4.3Å; V89-E132 HydrophobicContact CG1-CB 3.89Å |
| 90 | T | 97.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 146.8 | 173.1 | 62.7 | 0 | 0 | 0 | 0 | 109.8 | L55 R57 W65 A95 E96 L98 L115 | L55-T90 HydrophobicContact CB-CG2 4.29Å; L55-T90 CarbonylContact O-C 3.55Å; L55-T90 VanDerWaalsContact O-CA 3.26Å; L55-T90 WeakPolarHBondContact O-CA 2.85Å; R57-T90 WeakPolarHBondContact CD-OG1 3.2Å; R57-T90 PolarHBondContact NE-OG1 3.06Å; W65-T90 HydrophobicContact CH2-CG2 4.11Å; T90-A95 CarbonylContact O-C 3.46Å; T90-A95 VanDerWaalsContact O-CA 3.25Å; T90-A95 WeakPolarHBondContact O-CA 3.4Å; T90-E96 PolarHBondContact N-O 3.21Å; T90-E96 PolarHBondContact O-N 3.35Å; T90-L98 HydrophobicContact CG2-CD1 3.42Å; T90-L98 VanDerWaalsContact CG2-CD1 3.42Å; T90-L98 HydrophobicContact CG2-CG 4.08Å; T90-L115 HydrophobicContact CG2-CD1 3.82Å |
| 91 | F | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 148.1 | 177.4 | 69.6 | -90.9 | 0 | 0 | 0 | 111.9 | V54 L55 D56 R57 A95 T124 M126 | V54-F91 HydrophobicContact CG1-CD1 3.56Å; V54-F91 HydrophobicContact CG1-CE1 3.73Å; L55-F91 VanDerWaalsContact C-CE1 3.44Å; L55-F91 WeakPolarHBondContact O-CD1 3Å; L55-F91 PolarHBondContact O-N 2.84Å; D56-F91 HydrophobicContact CB-CE1 3.99Å; D56-F91 HydrophobicContact CB-CE2 3.96Å; D56-F91 HydrophobicContact CB-CZ 3.49Å; D56-F91 VanDerWaalsContact CB-CZ 3.49Å; D56-F91 VanDerWaalsContact N-CE1 3.29Å; R57-F91 WeakPolarHBondContact CG-O 3.2Å; R57-F91 PolarHBondContact N-O 2.76Å; F91-A95 HydrophobicContact CB-CB 4.4Å; F91-T124 HydrophobicContact CE2-CG2 3.87Å; F91-M126 VanDerWaalsContact CD2-CA 3.47Å; F91-M126 HydrophobicContact CD2-CB 4.18Å; F91-M126 HydrophobicContact CE1-CB 4.35Å; F91-M126 HydrophobicContact CE1-CG 3.87Å; F91-M126 HydrophobicContact CE1-SD 4.37Å; F91-M126 VanDerWaalsContact CE2-CA 3.43Å; F91-M126 HydrophobicContact CE2-CB 3.59Å; F91-M126 HydrophobicContact CE2-CG 4.02Å; F91-M126 HydrophobicContact CZ-CB 3.68Å; F91-M126 HydrophobicContact CZ-CG 3.55Å; F91-M126 HydrophobicContact CZ-SD 3.88Å |
| 92 | S | 94.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.028 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -148.3 | -116.3 | 169 | 51.3 | 0 | 0 | 0 | 0 | 107.8 | R57 R94 A121 E123 Y125 | R57-S92 PolarHBondContact NH1-OG 3.26Å; R57-S92 VanDerWaalsContact NH1-OG 3.1Å; R57-S92 PolarHBondContact NH2-OG 2.86Å; S92-R94 PolarHBondContact N-O 3.29Å; S92-R94 PolarHBondContact O-N 3Å; S92-A121 WeakPolarHBondContact CB-O 3.27Å; S92-A121 PolarHBondContact OG-O 3.35Å; S92-E123 CarbonylContact C-O 3.57Å; S92-E123 WeakPolarHBondContact CA-O 3.38Å; S92-E123 WeakPolarHBondContact CB-O 3.47Å; S92-Y125 WeakPolarHBondContact O-CA 3.23Å; S92-Y125 WeakPolarHBondContact O-CB 3.09Å; S92-Y125 PolarHBondContact O-N 2.86Å |
| 93 | S | 94.1 | Very high | 93.2 | Very high | 58 Ų | 58 | 38.7 Ų | 38.7 | 41% | 0.406 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -67.9 | -15.7 | 164.8 | -52.3 | 0 | 0 | 0 | 0 | 113.1 | E123 Y125 | S93-E123 PolarHBondContact N-O 2.85Å; S93-E123 PolarHBondContact OG-N 2.92Å; S93-E123 VanDerWaalsContact OG-N 3.09Å; S93-Y125 VanDerWaalsContact O-CD2 3.28Å; S93-Y125 WeakPolarHBondContact O-CD2 3.43Å |
| 94 | R | 94.4 | Very high | 94.1 | Very high | 170 Ų | 170 | 33.9 Ų | 33.9 | 64% | 0.642 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -151 | 156 | 174.8 | 59.5 | -179 | -155.5 | 179.6 | 6.3 | 109.9 | S92 | S92-R94 PolarHBondContact N-O 3.29Å; S92-R94 PolarHBondContact O-N 3Å |
| 95 | A | 96.7 | Very high | 94.6 | Very high | 20 Ų | 20 | 38 Ų | 38 | 17% | 0.165 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 150.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V89 T90 F91 E128 E132 | V89-A95 HydrophobicContact CG1-CB 4.47Å; T90-A95 CarbonylContact O-C 3.46Å; T90-A95 VanDerWaalsContact O-CA 3.25Å; T90-A95 WeakPolarHBondContact O-CA 3.4Å; F91-A95 HydrophobicContact CB-CB 4.4Å; A95-E128 VanDerWaalsContact CB-C 3.46Å; A95-E128 HydrophobicContact CB-CB 3.8Å; A95-E128 WeakPolarHBondContact CB-O 3.46Å; A95-E132 HydrophobicContact CB-CB 4.41Å; A95-E132 HydrophobicContact CB-CG 3.61Å |
| 96 | E | 96.8 | Very high | 94.7 | Very high | 84 Ų | 84 | 42 Ų | 42 | 39% | 0.393 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 127.1 | 177 | -176 | 176.1 | 171.4 | 0 | 0 | 110 | V89 T90 L98 | V89-E96 WeakPolarHBondContact CA-O 3.22Å; T90-E96 PolarHBondContact N-O 3.21Å; T90-E96 PolarHBondContact O-N 3.35Å; E96-L98 HydrophobicContact CG-CD2 4.07Å; E96-L98 PolarHBondContact O-N 2.85Å |
| 97 | V | 97.5 | Very high | 94.8 | Very high | 45 Ų | 45 | 46.4 Ų | 46.4 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 99.5 | 174.8 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | V89 P100 E132 | V89-V97 HydrophobicContact CG2-CG2 4.3Å; V97-P100 HydrophobicContact CG1-CG 4.32Å; V97-E132 HydrophobicContact CG2-CB 4.12Å; V97-E132 HydrophobicContact CG2-CG 4.44Å |
| 98 | L | 96.9 | Very high | 94.7 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -31.4 | 177.7 | -65.3 | -177.8 | 0 | 0 | 0 | 112.2 | F88 T90 E96 R114 L115 V118 | F88-L98 HydrophobicContact CB-CB 4.28Å; F88-L98 PolarHBondContact O-N 3.42Å; T90-L98 HydrophobicContact CG2-CD1 3.42Å; T90-L98 VanDerWaalsContact CG2-CD1 3.42Å; T90-L98 HydrophobicContact CG2-CG 4.08Å; E96-L98 HydrophobicContact CG-CD2 4.07Å; E96-L98 PolarHBondContact O-N 2.85Å; L98-R114 PolarHBondContact O-NE 2.92Å; L98-R114 PolarHBondContact O-NH1 3.26Å; L98-R114 PolarHBondContact O-NH2 3.07Å; L98-L115 HydrophobicContact CD1-CB 4.44Å; L98-L115 HydrophobicContact CD1-CD1 3.75Å; L98-V118 HydrophobicContact CD1-CG2 3.53Å |
| 99 | L | 96.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 110.4 | 174.8 | 179.1 | 67.9 | 0 | 0 | 0 | 107.6 | S87 F88 T102 E107 I108 | S87-L99 CarbonylContact C-O 3.49Å; S87-L99 VanDerWaalsContact CA-O 3.25Å; S87-L99 WeakPolarHBondContact CA-O 3.35Å; S87-L99 PolarHBondContact OG-O 3.35Å; S87-L99 VanDerWaalsContact OG-O 3.07Å; F88-L99 HydrophobicContact CB-CB 3.84Å; F88-L99 HydrophobicContact CD2-CB 3.56Å; F88-L99 HydrophobicContact CD2-CD2 3.58Å; F88-L99 HydrophobicContact CD2-CG 4.23Å; F88-L99 HydrophobicContact CE2-CB 4.36Å; F88-L99 HydrophobicContact CE2-CD2 3.53Å; F88-L99 HydrophobicContact CG-CB 3.9Å; F88-L99 HydrophobicContact CG-CD2 4.14Å; F88-L99 HydrophobicContact CZ-CD2 4.09Å; F88-L99 PolarHBondContact N-O 3.3Å; F88-L99 PolarHBondContact O-N 2.98Å; F88-L99 VanDerWaalsContact O-N 3.12Å; L99-T102 HydrophobicContact CD1-CG2 3.8Å; L99-T102 HydrophobicContact CD2-CG2 4.27Å; L99-T102 HydrophobicContact CG-CG2 4.12Å; L99-E107 HydrophobicContact CD1-CB 4.24Å; L99-E107 VanDerWaalsContact CD1-O 3.29Å; L99-E107 WeakPolarHBondContact CD1-O 3.42Å; L99-I108 HydrophobicContact CD2-CB 4.39Å; L99-I108 HydrophobicContact CD2-CG1 4.03Å |
| 100 | P | 95.9 | Very high | 94.5 | Very high | 76 Ų | 76 | 54.8 Ų | 54.8 | 49% | 0.494 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 154.1 | 168.2 | -20.4 | 32.8 | 0 | 0 | 0 | 110.3 | V97 T102 | V97-P100 HydrophobicContact CG1-CG 4.32Å; P100-T102 PolarHBondContact O-N 3.26Å |
| 101 | L | 93.8 | Very high | 94.4 | Very high | 34 Ų | 34 | 54.8 Ų | 54.8 | 18% | 0.178 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 116.3 | -178.9 | -174.7 | 78 | 0 | 0 | 0 | 112.6 | D50 Y52 R85 V86 Q140 | D50-L101 HydrophobicContact CB-CD1 3.93Å; D50-L101 HydrophobicContact CB-CD2 4.24Å; Y52-L101 HydrophobicContact CE1-CB 4.34Å; Y52-L101 HydrophobicContact CE1-CD1 4.13Å; Y52-L101 HydrophobicContact CE2-CD1 4.44Å; Y52-L101 WeakPolarHBondContact OH-CD2 3.23Å; R85-L101 HydrophobicContact CB-CD1 3.66Å; R85-L101 HydrophobicContact CB-CD2 4.4Å; R85-L101 HydrophobicContact CB-CG 3.81Å; V86-L101 WeakPolarHBondContact O-CA 3.12Å; L101-Q140 HydrophobicContact CD2-CG 4.43Å |
| 102 | T | 92.1 | Very high | 94.4 | Very high | 18 Ų | 18 | 55.3 Ų | 55.3 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 151.5 | -179.4 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | R85 V86 L99 P100 D104 E107 I108 | R85-T102 CarbonylContact C-O 3.56Å; R85-T102 VanDerWaalsContact CA-O 3.23Å; R85-T102 WeakPolarHBondContact CA-O 3.39Å; V86-T102 PolarHBondContact N-O 3.16Å; V86-T102 PolarHBondContact O-N 2.64Å; L99-T102 HydrophobicContact CD1-CG2 3.8Å; L99-T102 HydrophobicContact CD2-CG2 4.27Å; L99-T102 HydrophobicContact CG-CG2 4.12Å; P100-T102 PolarHBondContact O-N 3.26Å; T102-D104 PolarHBondContact OG1-N 2.83Å; T102-D104 VanDerWaalsContact OG1-N 3.16Å; T102-E107 WeakPolarHBondContact CB-OE2 3.49Å; T102-E107 HydrophobicContact CG2-CB 3.81Å; T102-E107 WeakPolarHBondContact CG2-OE2 3.4Å; T102-E107 PolarHBondContact OG1-OE2 3.49Å; T102-I108 HydrophobicContact CG2-CG1 4.06Å |
| 103 | G | 89.4 | Confident | 94.5 | Very high | 35 Ų | 35 | 60.1 Ų | 60.1 | 36% | 0.361 | 30% | 0.297 | S | S | . | . | trans | -101.8 | -0.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R105 | G103-R105 PolarHBondContact O-N 2.83Š| ||
| 104 | D | 91.1 | Very high | 94.6 | Very high | 80 Ų | 80 | 62.9 Ų | 62.9 | 43% | 0.428 | 30% | 0.299 | S | S | . | . | trans | -74.6 | 120.5 | -179.7 | -169.6 | -25.6 | 0 | 0 | 0 | 110.4 | T102 Y106 E107 I108 | T102-D104 PolarHBondContact OG1-N 2.83Å; T102-D104 VanDerWaalsContact OG1-N 3.16Å; D104-Y106 VanDerWaalsContact C-N 3.27Å; D104-Y106 PolarHBondContact O-N 3.25Å; D104-Y106 WeakPolarHBondContact OD1-CB 3.45Å; D104-Y106 PolarHBondContact OD1-N 2.83Å; D104-E107 HydrophobicContact CB-CB 4.18Å; D104-E107 HydrophobicContact CB-CG 4.01Å; D104-E107 PolarHBondContact O-N 2.73Å; D104-I108 WeakPolarHBondContact O-CD1 3.48Å; D104-I108 WeakPolarHBondContact O-CG1 3.41Å; D104-I108 PolarHBondContact O-N 3.43Å | ||
| 105 | R | 89.1 | Confident | 94.7 | Very high | 92 Ų | 92 | 54.8 Ų | 54.8 | 35% | 0.347 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.7 | -35.2 | -179.7 | -68 | -66.8 | -176.8 | -177.5 | -5.8 | 112.3 | F79 V80 G103 I108 E109 | F79-R105 PolarHBondContact O-NH1 3.05Å; F79-R105 PolarHBondContact O-NH2 3.06Å; V80-R105 VanDerWaalsContact C-NH2 3.34Å; V80-R105 PolarHBondContact O-NH2 3.06Å; G103-R105 PolarHBondContact O-N 2.83Å; R105-I108 PolarHBondContact O-N 3.43Å; R105-E109 WeakPolarHBondContact O-CG 3.42Å; R105-E109 PolarHBondContact O-N 2.81Å |
| 106 | Y | 92.6 | Very high | 94.7 | Very high | 153 Ų | 153 | 58 Ų | 58 | 60% | 0.6 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.6 | -46 | 178.3 | 179 | -102 | 0 | 0 | 0 | 111.2 | D104 I108 E109 E110 | D104-Y106 VanDerWaalsContact C-N 3.27Å; D104-Y106 PolarHBondContact O-N 3.25Å; D104-Y106 WeakPolarHBondContact OD1-CB 3.45Å; D104-Y106 PolarHBondContact OD1-N 2.83Å; Y106-I108 VanDerWaalsContact C-N 3.33Å; Y106-I108 PolarHBondContact O-N 2.83Å; Y106-E109 PolarHBondContact O-N 2.97Å; Y106-E110 HydrophobicContact CE1-CG 4.18Å; Y106-E110 PolarHBondContact O-N 3.15Å |
| 107 | E | 94.7 | Very high | 94.7 | Very high | 92 Ų | 92 | 59.5 Ų | 59.5 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | 176.7 | -65.2 | -172.1 | 157.4 | 0 | 0 | 112 | L99 T102 D104 E110 G111 | L99-E107 HydrophobicContact CD1-CB 4.24Å; L99-E107 VanDerWaalsContact CD1-O 3.29Å; L99-E107 WeakPolarHBondContact CD1-O 3.42Å; T102-E107 WeakPolarHBondContact CB-OE2 3.49Å; T102-E107 HydrophobicContact CG2-CB 3.81Å; T102-E107 WeakPolarHBondContact CG2-OE2 3.4Å; T102-E107 PolarHBondContact OG1-OE2 3.49Å; D104-E107 HydrophobicContact CB-CB 4.18Å; D104-E107 HydrophobicContact CB-CG 4.01Å; D104-E107 PolarHBondContact O-N 2.73Å; E107-E110 PolarHBondContact O-N 3.01Å; E107-G111 PolarHBondContact O-N 3.09Å |
| 108 | I | 93.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 175.4 | -68.8 | 164.7 | 0 | 0 | 0 | 110.9 | T76 V86 F88 L99 T102 D104 R105 Y106 G111 L112 | T76-I108 HydrophobicContact CG2-CG2 3.52Å; V86-I108 HydrophobicContact CB-CD1 4.48Å; V86-I108 HydrophobicContact CG2-CD1 4.43Å; F88-I108 HydrophobicContact CZ-CG2 4.48Å; L99-I108 HydrophobicContact CD2-CB 4.39Å; L99-I108 HydrophobicContact CD2-CG1 4.03Å; T102-I108 HydrophobicContact CG2-CG1 4.06Å; D104-I108 WeakPolarHBondContact O-CD1 3.48Å; D104-I108 WeakPolarHBondContact O-CG1 3.41Å; D104-I108 PolarHBondContact O-N 3.43Å; R105-I108 PolarHBondContact O-N 3.43Å; Y106-I108 VanDerWaalsContact C-N 3.33Å; Y106-I108 PolarHBondContact O-N 2.83Å; I108-G111 PolarHBondContact O-N 2.71Å; I108-L112 HydrophobicContact CG2-CD1 4.34Å; I108-L112 WeakPolarHBondContact O-CG 3.4Å; I108-L112 PolarHBondContact O-N 3.36Å |
| 109 | E | 93.7 | Very high | 94.5 | Very high | 110 Ų | 110 | 63.5 Ų | 63.5 | 51% | 0.514 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 176.1 | -76.7 | 178.8 | -168.1 | 0 | 0 | 112 | R105 Y106 L112 K113 | R105-E109 WeakPolarHBondContact O-CG 3.42Å; R105-E109 PolarHBondContact O-N 2.81Å; Y106-E109 PolarHBondContact O-N 2.97Å; E109-L112 PolarHBondContact O-N 2.98Å; E109-K113 WeakPolarHBondContact O-CG 3.28Å; E109-K113 PolarHBondContact O-N 3.42Å |
| 110 | E | 96.1 | Very high | 94.4 | Very high | 61 Ų | 61 | 64.3 Ų | 64.3 | 29% | 0.285 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.1 | -36.4 | 173.5 | -71.3 | -58 | 126.9 | 0 | 0 | 112.4 | Y106 E107 K113 R114 | Y106-E110 HydrophobicContact CE1-CG 4.18Å; Y106-E110 PolarHBondContact O-N 3.15Å; E107-E110 PolarHBondContact O-N 3.01Å; E110-K113 PolarHBondContact O-N 3.04Å; E110-K113 WeakPolarHBondContact OE1-CD 3.39Å; E110-K113 IonicContact OE1-NZ 2.96Å; E110-K113 PolarHBondContact OE1-NZ 3.42Å; E110-R114 WeakPolarHBondContact O-CG 3.06Å; E110-R114 PolarHBondContact O-N 3.34Å |
| 111 | G | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E107 I108 R114 L115 | E107-G111 PolarHBondContact O-N 3.09Å; I108-G111 PolarHBondContact O-N 2.71Å; G111-R114 PolarHBondContact O-N 2.97Å; G111-L115 WeakPolarHBondContact O-CB 3.34Å; G111-L115 PolarHBondContact O-N 2.9Å |
| 112 | L | 96.1 | Very high | 94.2 | Very high | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.063 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 176 | -74.3 | 170.4 | 0 | 0 | 0 | 111.7 | Y69 V72 K73 F88 I108 E109 L115 H116 | Y69-L112 HydrophobicContact CE2-CB 4.38Å; Y69-L112 HydrophobicContact CE2-CD2 4.41Å; Y69-L112 WeakPolarHBondContact CE2-O 3.36Å; V72-L112 HydrophobicContact CG1-CD2 4.18Å; K73-L112 HydrophobicContact CB-CD2 4.21Å; K73-L112 HydrophobicContact CG-CD1 4.37Å; F88-L112 HydrophobicContact CE2-CD2 3.84Å; F88-L112 HydrophobicContact CE2-CG 3.84Å; F88-L112 HydrophobicContact CZ-CD2 3.67Å; F88-L112 HydrophobicContact CZ-CG 3.95Å; I108-L112 HydrophobicContact CG2-CD1 4.34Å; I108-L112 WeakPolarHBondContact O-CG 3.4Å; I108-L112 PolarHBondContact O-N 3.36Å; E109-L112 PolarHBondContact O-N 2.98Å; L112-L115 PolarHBondContact O-N 3.19Å; L112-H116 WeakPolarHBondContact O-CB 3.46Å; L112-H116 PolarHBondContact O-N 3.42Å |
| 113 | K | 96.6 | Very high | 94.2 | Very high | 105 Ų | 105 | 67.2 Ų | 67.2 | 46% | 0.457 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 173.5 | -70.7 | 173.5 | -168.4 | 168.7 | 0 | 111.9 | E109 E110 H116 N117 | E109-K113 WeakPolarHBondContact O-CG 3.28Å; E109-K113 PolarHBondContact O-N 3.42Å; E110-K113 PolarHBondContact O-N 3.04Å; E110-K113 WeakPolarHBondContact OE1-CD 3.39Å; E110-K113 IonicContact OE1-NZ 2.96Å; E110-K113 PolarHBondContact OE1-NZ 3.42Å; K113-H116 PolarHBondContact O-N 2.85Å; K113-N117 PolarHBondContact O-N 3.43Å; K113-N117 PolarHBondContact O-ND2 3.04Å |
| 114 | R | 97 | Very high | 94.4 | Very high | 116 Ų | 116 | 67.2 Ų | 67.2 | 44% | 0.438 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 173.9 | -75.4 | -177.1 | -77.1 | 170.6 | -2.3 | 111.2 | L98 E110 G111 H116 N117 V118 | L98-R114 PolarHBondContact O-NE 2.92Å; L98-R114 PolarHBondContact O-NH1 3.26Å; L98-R114 PolarHBondContact O-NH2 3.07Å; E110-R114 WeakPolarHBondContact O-CG 3.06Å; E110-R114 PolarHBondContact O-N 3.34Å; G111-R114 PolarHBondContact O-N 2.97Å; R114-H116 VanDerWaalsContact C-N 3.35Å; R114-H116 PolarHBondContact O-N 3.08Å; R114-N117 PolarHBondContact O-N 2.86Å; R114-N117 VanDerWaalsContact O-N 3.14Å; R114-V118 PolarHBondContact O-N 2.85Å |
| 115 | L | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 177.9 | -171.8 | 69.3 | 0 | 0 | 0 | 112.4 | L55 W65 Y69 V72 T90 L98 G111 L112 N117 V118 | L55-L115 HydrophobicContact CD1-CD1 3.6Å; L55-L115 HydrophobicContact CD1-CD2 3.86Å; L55-L115 HydrophobicContact CD1-CG 4.38Å; W65-L115 HydrophobicContact CH2-CD1 3.84Å; W65-L115 HydrophobicContact CZ2-CD1 3.56Å; W65-L115 HydrophobicContact CZ2-CG 4.07Å; W65-L115 WeakPolarHBondContact CZ2-O 3.45Å; W65-L115 PolarHBondContact NE1-O 3.26Å; Y69-L115 HydrophobicContact CD2-CB 4.49Å; Y69-L115 HydrophobicContact CD2-CD2 4.3Å; Y69-L115 HydrophobicContact CD2-CG 4.38Å; V72-L115 HydrophobicContact CB-CD2 4.01Å; V72-L115 HydrophobicContact CG1-CD2 3.76Å; V72-L115 HydrophobicContact CG2-CD2 4.29Å; T90-L115 HydrophobicContact CG2-CD1 3.82Å; L98-L115 HydrophobicContact CD1-CB 4.44Å; L98-L115 HydrophobicContact CD1-CD1 3.75Å; G111-L115 WeakPolarHBondContact O-CB 3.34Å; G111-L115 PolarHBondContact O-N 2.9Å; L112-L115 PolarHBondContact O-N 3.19Å; L115-N117 PolarHBondContact O-N 3.34Å; L115-V118 WeakPolarHBondContact O-CB 3.12Å; L115-V118 WeakPolarHBondContact O-CG2 3.36Å; L115-V118 PolarHBondContact O-N 3.24Å |
| 116 | H | 96.4 | Very high | 94.9 | Very high | 86 Ų | 86 | 63.1 Ų | 63.1 | 40% | 0.398 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57 | -36.9 | 175.6 | 176.1 | -87.3 | 0 | 0 | 0 | 112.5 | Y69 L112 K113 R114 | Y69-H116 AromaticContact CD1-CD2 4Å; Y69-H116 HydrophobicContact CD2-CB 3.97Å; Y69-H116 AromaticContact CE1-CD2 3.67Å; Y69-H116 HydrophobicContact CE2-CB 3.71Å; Y69-H116 HydrophobicContact CG-CB 4.47Å; Y69-H116 AromaticContact CZ-CD2 3.89Å; L112-H116 WeakPolarHBondContact O-CB 3.46Å; L112-H116 PolarHBondContact O-N 3.42Å; K113-H116 PolarHBondContact O-N 2.85Å; R114-H116 VanDerWaalsContact C-N 3.35Å; R114-H116 PolarHBondContact O-N 3.08Å |
| 117 | N | 95.7 | Very high | 95.1 | Very high | 116 Ų | 116 | 56.9 Ų | 56.9 | 62% | 0.62 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 2.3 | -174.8 | -63.2 | -23.9 | 0 | 0 | 0 | 113.9 | K113 R114 L115 | K113-N117 PolarHBondContact O-N 3.43Å; K113-N117 PolarHBondContact O-ND2 3.04Å; R114-N117 PolarHBondContact O-N 2.86Å; R114-N117 VanDerWaalsContact O-N 3.14Å; L115-N117 PolarHBondContact O-N 3.34Å |
| 118 | V | 95.3 | Very high | 95.2 | Very high | 23 Ų | 23 | 54.8 Ų | 54.8 | 14% | 0.139 | 28% | 0.282 | C | S | . | . | trans | -64.8 | 135.4 | 175.8 | 171.6 | 0 | 0 | 0 | 0 | 109.8 | R57 W65 L98 R114 L115 | R57-V118 HydrophobicContact CB-CG1 4.06Å; R57-V118 HydrophobicContact CG-CG1 4.48Å; W65-V118 HydrophobicContact CH2-CB 4.43Å; W65-V118 HydrophobicContact CH2-CG1 4.13Å; W65-V118 HydrophobicContact CZ2-CB 3.51Å; W65-V118 HydrophobicContact CZ2-CG1 3.64Å; W65-V118 HydrophobicContact CZ2-CG2 3.98Å; W65-V118 PolarHBondContact NE1-O 2.9Å; L98-V118 HydrophobicContact CD1-CG2 3.53Å; R114-V118 PolarHBondContact O-N 2.85Å; L115-V118 WeakPolarHBondContact O-CB 3.12Å; L115-V118 WeakPolarHBondContact O-CG2 3.36Å; L115-V118 PolarHBondContact O-N 3.24Å | ||
| 119 | V | 94.8 | Very high | 95.4 | Very high | 118 Ų | 118 | 54.5 Ų | 54.5 | 72% | 0.715 | 28% | 0.28 | S | S | * | . | trans | -103.3 | 111.4 | 172.1 | -177.7 | 0 | 0 | 0 | 0 | 108 | A121 | V119-A121 PolarHBondContact O-N 3.36Š| ||
| 120 | P | 95.1 | Very high | 95.5 | Very high | 18 Ų | 18 | 49.3 Ų | 49.3 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | trans | -68 | 131.8 | -179.8 | -18.5 | 30.7 | 0 | 0 | 0 | 112 | R57 S58 V61 W65 | R57-P120 HydrophobicContact CB-CB 4.48Å; R57-P120 CarbonylContact O-C 3.54Å; R57-P120 WeakPolarHBondContact O-CA 3.32Å; R57-P120 WeakPolarHBondContact O-CB 3.43Å; S58-P120 VanDerWaalsContact O-CB 3.27Å; S58-P120 WeakPolarHBondContact O-CB 3.26Å; V61-P120 HydrophobicContact CG2-CB 3.89Å; V61-P120 HydrophobicContact CG2-CG 4.37Å; W65-P120 HydrophobicContact CB-CG 3.59Å; W65-P120 HydrophobicContact CD2-CG 3.75Å; W65-P120 HydrophobicContact CE3-CG 3.9Å; W65-P120 HydrophobicContact CG-CG 3.61Å | ||
| 121 | A | 93.4 | Very high | 95.6 | Very high | 51 Ų | 51 | 50.4 Ų | 50.4 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | trans | -168.4 | 153.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | R57 S92 V119 | R57-A121 PolarHBondContact O-N 3.09Å; S92-A121 WeakPolarHBondContact CB-O 3.27Å; S92-A121 PolarHBondContact OG-O 3.35Å; V119-A121 PolarHBondContact O-N 3.36Å | ||
| 122 | G | 92.9 | Very high | 95.6 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 36% | 0.361 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 97.2 | -170.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S58 G59 | S58-G122 WeakPolarHBondContact CA-O 3.34Å; S58-G122 WeakPolarHBondContact CB-O 3.17Å; G59-G122 PolarHBondContact N-O 2.84Å |
| 123 | E | 91.9 | Very high | 95.6 | Very high | 103 Ų | 103 | 53 Ų | 53 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | trans | -80.7 | -178.6 | -176.7 | -56.2 | -53.9 | 141.2 | 0 | 0 | 112.1 | S58 S92 S93 Y125 | S58-E123 VanDerWaalsContact CB-O 3.25Å; S58-E123 WeakPolarHBondContact CB-O 3.43Å; S92-E123 CarbonylContact C-O 3.57Å; S92-E123 WeakPolarHBondContact CA-O 3.38Å; S92-E123 WeakPolarHBondContact CB-O 3.47Å; S93-E123 PolarHBondContact N-O 2.85Å; S93-E123 PolarHBondContact OG-N 2.92Å; S93-E123 VanDerWaalsContact OG-N 3.09Å; E123-Y125 HydrophobicContact CB-CD1 4.3Å; E123-Y125 HydrophobicContact CB-CE1 4.03Å | ||
| 124 | T | 93.4 | Very high | 95.5 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 22% | 0.221 | 25% | 0.251 | C | S | . | . | trans | -112.1 | 61.4 | -174.7 | -48.2 | 0 | 0 | 0 | 0 | 112.2 | D56 S58 F91 M126 L156 | D56-T124 VanDerWaalsContact OD2-CG2 3.26Å; D56-T124 WeakPolarHBondContact OD2-CG2 3.38Å; S58-T124 WeakPolarHBondContact CB-OG1 3.41Å; S58-T124 PolarHBondContact OG-OG1 2.9Å; F91-T124 HydrophobicContact CE2-CG2 3.87Å; T124-M126 VanDerWaalsContact C-N 3.32Å; T124-M126 PolarHBondContact O-N 2.96Å; T124-L156 HydrophobicContact CG2-CD2 4.39Å | ||
| 125 | Y | 95.5 | Very high | 95.4 | Very high | 86 Ų | 86 | 45 Ų | 45 | 34% | 0.337 | 25% | 0.249 | S | C | . | . | trans | -83.6 | 71.6 | 179.9 | -62 | -16 | 0 | 0 | 0 | 112.5 | S92 S93 E123 H127 E128 I160 | S92-Y125 WeakPolarHBondContact O-CA 3.23Å; S92-Y125 WeakPolarHBondContact O-CB 3.09Å; S92-Y125 PolarHBondContact O-N 2.86Å; S93-Y125 VanDerWaalsContact O-CD2 3.28Å; S93-Y125 WeakPolarHBondContact O-CD2 3.43Å; E123-Y125 HydrophobicContact CB-CD1 4.3Å; E123-Y125 HydrophobicContact CB-CE1 4.03Å; Y125-H127 VanDerWaalsContact CB-CE1 3.49Å; Y125-H127 WeakPolarHBondContact CB-CE1 3.11Å; Y125-H127 AromaticContact CG-CE1 3.75Å; Y125-H127 PolarHBondContact O-N 3.26Å; Y125-E128 PolarHBondContact O-N 3.34Å; Y125-E128 VanDerWaalsContact O-N 3.14Å; Y125-I160 HydrophobicContact CD1-CD1 3.51Å; Y125-I160 HydrophobicContact CD1-CG1 4.11Å; Y125-I160 HydrophobicContact CE1-CD1 3.58Å; Y125-I160 HydrophobicContact CE1-CG1 4.22Å; Y125-I160 HydrophobicContact CG-CD1 4.43Å | ||
| 126 | M | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.3 | -32.4 | -178 | -169.7 | 160.2 | 77.2 | 0 | 0 | 113.7 | F91 T124 E128 G129 I130 A150 T152 L156 T164 L191 I194 | F91-M126 VanDerWaalsContact CD2-CA 3.47Å; F91-M126 HydrophobicContact CD2-CB 4.18Å; F91-M126 HydrophobicContact CE1-CB 4.35Å; F91-M126 HydrophobicContact CE1-CG 3.87Å; F91-M126 HydrophobicContact CE1-SD 4.37Å; F91-M126 VanDerWaalsContact CE2-CA 3.43Å; F91-M126 HydrophobicContact CE2-CB 3.59Å; F91-M126 HydrophobicContact CE2-CG 4.02Å; F91-M126 HydrophobicContact CZ-CB 3.68Å; F91-M126 HydrophobicContact CZ-CG 3.55Å; F91-M126 HydrophobicContact CZ-SD 3.88Å; T124-M126 VanDerWaalsContact C-N 3.32Å; T124-M126 PolarHBondContact O-N 2.96Å; M126-E128 VanDerWaalsContact C-N 3.28Å; M126-E128 PolarHBondContact O-N 3.2Å; M126-G129 PolarHBondContact O-N 3.43Å; M126-I130 PolarHBondContact O-N 2.97Å; M126-I130 VanDerWaalsContact O-N 3.09Å; M126-A150 HydrophobicContact SD-CB 4.19Å; M126-T152 HydrophobicContact SD-CG2 4.22Å; M126-L156 HydrophobicContact CB-CD2 3.8Å; M126-L156 HydrophobicContact CE-CD1 3.54Å; M126-L156 HydrophobicContact CE-CD2 4.25Å; M126-L156 HydrophobicContact CE-CG 4.48Å; M126-T164 HydrophobicContact CB-CG2 4.19Å; M126-T164 HydrophobicContact CE-CG2 3.53Å; M126-T164 HydrophobicContact CG-CG2 4.07Å; M126-L191 HydrophobicContact CE-CD2 4.47Å; M126-I194 HydrophobicContact CE-CD1 3.53Å; M126-I194 HydrophobicContact CE-CG2 4.18Å |
| 127 | H | 96.4 | Very high | 95 | Very high | 21 Ų | 21 | 42.7 Ų | 42.7 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.9 | -38 | 175.7 | 63.6 | -83.2 | 0 | 0 | 0 | 113.1 | Y125 G129 I130 K131 L163 T164 Q167 | Y125-H127 VanDerWaalsContact CB-CE1 3.49Å; Y125-H127 WeakPolarHBondContact CB-CE1 3.11Å; Y125-H127 AromaticContact CG-CE1 3.75Å; Y125-H127 PolarHBondContact O-N 3.26Å; H127-G129 VanDerWaalsContact C-N 3.33Å; H127-G129 PolarHBondContact O-N 3.35Å; H127-I130 PolarHBondContact O-N 3.22Å; H127-K131 VanDerWaalsContact O-CB 3.23Å; H127-K131 WeakPolarHBondContact O-CB 3.4Å; H127-K131 PolarHBondContact O-N 3.03Å; H127-L163 HydrophobicContact CB-CB 3.93Å; H127-T164 PolarHBondContact N-OG1 3.12Å; H127-Q167 HydrophobicContact CB-CG 4.07Å |
| 128 | E | 97.1 | Very high | 94.7 | Very high | 48 Ų | 48 | 43.6 Ų | 43.6 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67 | -35.7 | 176.3 | -72.4 | -63.6 | 137.2 | 0 | 0 | 111.3 | A95 Y125 M126 K131 E132 | A95-E128 VanDerWaalsContact CB-C 3.46Å; A95-E128 HydrophobicContact CB-CB 3.8Å; A95-E128 WeakPolarHBondContact CB-O 3.46Å; Y125-E128 PolarHBondContact O-N 3.34Å; Y125-E128 VanDerWaalsContact O-N 3.14Å; M126-E128 VanDerWaalsContact C-N 3.28Å; M126-E128 PolarHBondContact O-N 3.2Å; E128-K131 VanDerWaalsContact CD-NZ 3.34Å; E128-K131 WeakPolarHBondContact O-CB 3.43Å; E128-K131 PolarHBondContact O-N 2.97Å; E128-K131 IonicContact OE1-NZ 2.97Å; E128-K131 PolarHBondContact OE1-NZ 3.3Å; E128-K131 IonicContact OE2-NZ 2.86Å; E128-K131 PolarHBondContact OE2-NZ 3.45Å; E128-E132 WeakPolarHBondContact O-CG 3.4Å; E128-E132 PolarHBondContact O-N 2.96Å |
| 129 | G | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M126 H127 K131 E132 A133 | M126-G129 PolarHBondContact O-N 3.43Å; H127-G129 VanDerWaalsContact C-N 3.33Å; H127-G129 PolarHBondContact O-N 3.35Å; G129-K131 VanDerWaalsContact C-N 3.32Å; G129-K131 PolarHBondContact O-N 2.9Å; G129-E132 PolarHBondContact O-N 3.44Å; G129-A133 PolarHBondContact O-N 3.32Å; G129-A133 VanDerWaalsContact O-N 3.15Å |
| 130 | I | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.6 | -36.2 | 176.7 | -62.7 | -176.4 | 0 | 0 | 0 | 111.2 | V54 M126 H127 A133 S134 I148 T164 Q167 A168 A171 I194 | V54-I130 HydrophobicContact CG1-CG1 4.44Å; M126-I130 PolarHBondContact O-N 2.97Å; M126-I130 VanDerWaalsContact O-N 3.09Å; H127-I130 PolarHBondContact O-N 3.22Å; I130-A133 PolarHBondContact O-N 2.78Å; I130-S134 WeakPolarHBondContact O-CB 3.13Å; I130-S134 PolarHBondContact O-N 3Å; I130-S134 PolarHBondContact O-OG 3.11Å; I130-I148 HydrophobicContact CG2-CD1 4.47Å; I130-T164 HydrophobicContact CD1-CG2 3.57Å; I130-Q167 HydrophobicContact CB-CB 4.2Å; I130-Q167 HydrophobicContact CG2-CB 3.95Å; I130-A168 HydrophobicContact CD1-CB 4.33Å; I130-A171 HydrophobicContact CG2-CB 4.43Å; I130-I194 HydrophobicContact CD1-CG2 4.04Å |
| 131 | K | 97.2 | Very high | 92.6 | Very high | 84 Ų | 84 | 51.6 Ų | 51.6 | 37% | 0.365 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 176 | 177.1 | -179.1 | 163.8 | -154.7 | 0 | 112.2 | H127 E128 G129 S134 A135 Q167 | H127-K131 VanDerWaalsContact O-CB 3.23Å; H127-K131 WeakPolarHBondContact O-CB 3.4Å; H127-K131 PolarHBondContact O-N 3.03Å; E128-K131 VanDerWaalsContact CD-NZ 3.34Å; E128-K131 WeakPolarHBondContact O-CB 3.43Å; E128-K131 PolarHBondContact O-N 2.97Å; E128-K131 IonicContact OE1-NZ 2.97Å; E128-K131 PolarHBondContact OE1-NZ 3.3Å; E128-K131 IonicContact OE2-NZ 2.86Å; E128-K131 PolarHBondContact OE2-NZ 3.45Å; G129-K131 VanDerWaalsContact C-N 3.32Å; G129-K131 PolarHBondContact O-N 2.9Å; K131-S134 WeakPolarHBondContact O-CB 3.48Å; K131-S134 PolarHBondContact O-N 2.81Å; K131-A135 WeakPolarHBondContact O-CB 3.41Å; K131-A135 PolarHBondContact O-N 2.79Å; K131-Q167 HydrophobicContact CB-CG 4.45Å |
| 132 | E | 97.2 | Very high | 91.4 | Very high | 66 Ų | 66 | 52.9 Ų | 52.9 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 175.6 | -73 | -58.6 | 149.1 | 0 | 0 | 112.5 | V89 A95 V97 E128 G129 A135 Q136 | V89-E132 HydrophobicContact CG1-CB 3.89Å; A95-E132 HydrophobicContact CB-CB 4.41Å; A95-E132 HydrophobicContact CB-CG 3.61Å; V97-E132 HydrophobicContact CG2-CB 4.12Å; V97-E132 HydrophobicContact CG2-CG 4.44Å; E128-E132 WeakPolarHBondContact O-CG 3.4Å; E128-E132 PolarHBondContact O-N 2.96Å; G129-E132 PolarHBondContact O-N 3.44Å; E132-A135 PolarHBondContact O-N 3.17Å; E132-Q136 PolarHBondContact O-N 3.25Å |
| 133 | A | 95.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y52 V54 G129 I130 A135 Q136 I137 I148 | Y52-A133 HydrophobicContact CD1-CB 4.17Å; Y52-A133 HydrophobicContact CG-CB 4.29Å; V54-A133 HydrophobicContact CG2-CB 3.98Å; G129-A133 PolarHBondContact O-N 3.32Å; G129-A133 VanDerWaalsContact O-N 3.15Å; I130-A133 PolarHBondContact O-N 2.78Å; A133-A135 VanDerWaalsContact C-N 3.33Å; A133-A135 PolarHBondContact O-N 2.96Å; A133-Q136 PolarHBondContact O-N 2.87Å; A133-I137 WeakPolarHBondContact O-CG1 3.38Å; A133-I137 PolarHBondContact O-N 2.86Å; A133-I148 HydrophobicContact CB-CD1 4.09Å; A133-I148 HydrophobicContact CB-CG1 4.34Å |
| 134 | S | 94.3 | Very high | 88.9 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 178.3 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | I130 K131 I137 K138 A171 | I130-S134 WeakPolarHBondContact O-CB 3.13Å; I130-S134 PolarHBondContact O-N 3Å; I130-S134 PolarHBondContact O-OG 3.11Å; K131-S134 WeakPolarHBondContact O-CB 3.48Å; K131-S134 PolarHBondContact O-N 2.81Å; S134-I137 PolarHBondContact O-N 2Å; S134-K138 WeakPolarHBondContact O-CB 3.29Å; S134-K138 PolarHBondContact O-N 3.21Å; S134-A171 VanDerWaalsContact OG-CB 3.25Å; S134-A171 WeakPolarHBondContact OG-CB 3.5Å |
| 135 | A | 94.9 | Very high | 88.1 | Confident | 48 Ų | 48 | 54.8 Ų | 54.8 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K131 E132 A133 K138 Q139 | K131-A135 WeakPolarHBondContact O-CB 3.41Å; K131-A135 PolarHBondContact O-N 2.79Å; E132-A135 PolarHBondContact O-N 3.17Å; A133-A135 VanDerWaalsContact C-N 3.33Å; A133-A135 PolarHBondContact O-N 2.96Å; A135-K138 PolarHBondContact O-N 2.94Å; A135-Q139 PolarHBondContact O-N 2.81Å |
| 136 | Q | 94.2 | Very high | 87.7 | Confident | 27 Ų | 27 | 50.7 Ų | 50.7 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 174.9 | -70.7 | -174 | 77.3 | 0 | 0 | 111.9 | Y52 S87 E132 A133 K138 Q139 Q140 | Y52-Q136 HydrophobicContact CE1-CB 3.69Å; S87-Q136 PolarHBondContact OG-NE2 3.12Å; S87-Q136 PolarHBondContact OG-OE1 2.89Å; E132-Q136 PolarHBondContact O-N 3.25Å; A133-Q136 PolarHBondContact O-N 2.87Å; Q136-K138 VanDerWaalsContact C-N 3.29Å; Q136-K138 PolarHBondContact O-N 3.49Å; Q136-Q139 PolarHBondContact O-N 3.07Å; Q136-Q139 VanDerWaalsContact O-N 3.14Å; Q136-Q140 WeakPolarHBondContact O-CG 3.46Å; Q136-Q140 PolarHBondContact O-N 2.95Å |
| 137 | I | 90.6 | Very high | 87.3 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 6% | 0.062 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.5 | -43.9 | 176.8 | -65.9 | 168.8 | 0 | 0 | 0 | 110.8 | Y52 A133 S134 Q139 Q140 I148 A176 | Y52-I137 HydrophobicContact CD2-CD1 4.12Å; Y52-I137 HydrophobicContact CD2-CG1 4.15Å; Y52-I137 HydrophobicContact CE1-CG1 4.16Å; Y52-I137 HydrophobicContact CE2-CD1 3.84Å; Y52-I137 HydrophobicContact CE2-CG1 3.41Å; Y52-I137 VanDerWaalsContact CE2-CG1 3.41Å; Y52-I137 WeakPolarHBondContact OH-CG1 3.25Å; A133-I137 WeakPolarHBondContact O-CG1 3.38Å; A133-I137 PolarHBondContact O-N 2.86Å; S134-I137 PolarHBondContact O-N 2Å; I137-Q139 VanDerWaalsContact C-N 3.32Å; I137-Q139 PolarHBondContact O-N 2.82Å; I137-Q140 WeakPolarHBondContact O-CB 3.38Å; I137-Q140 PolarHBondContact O-N 2.88Å; I137-I148 HydrophobicContact CD1-CD1 4.02Å; I137-I148 HydrophobicContact CD1-CG1 4.19Å; I137-A176 HydrophobicContact CD1-CB 3.7Å |
| 138 | K | 90.1 | Very high | 87.2 | Confident | 134 Ų | 134 | 49.9 Ų | 49.9 | 58% | 0.583 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.2 | -32.8 | 179.2 | -175.1 | 178.7 | -179 | 175.3 | 0 | 113 | S134 A135 Q136 Q140 Y174 | S134-K138 WeakPolarHBondContact O-CB 3.29Å; S134-K138 PolarHBondContact O-N 3.21Å; A135-K138 PolarHBondContact O-N 2.94Å; Q136-K138 VanDerWaalsContact C-N 3.29Å; Q136-K138 PolarHBondContact O-N 3.49Å; K138-Q140 VanDerWaalsContact C-N 3.29Å; K138-Y174 HydrophobicContact CD-CE1 4.29Å; K138-Y174 HydrophobicContact CG-CE1 4.15Å |
| 139 | Q | 89 | Confident | 87 | Confident | 169 Ų | 169 | 47.7 Ų | 47.7 | 79% | 0.79 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -78.1 | -14.4 | -179.2 | -164.8 | 171.7 | 12.9 | 0 | 0 | 112.9 | A135 Q136 I137 S141 | A135-Q139 PolarHBondContact O-N 2.81Å; Q136-Q139 PolarHBondContact O-N 3.07Å; Q136-Q139 VanDerWaalsContact O-N 3.14Å; I137-Q139 VanDerWaalsContact C-N 3.32Å; I137-Q139 PolarHBondContact O-N 2.82Å; Q139-S141 PolarHBondContact O-N 3.06Å |
| 140 | Q | 82.1 | Confident | 86.9 | Confident | 38 Ų | 38 | 47.8 Ų | 47.8 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | trans | -62.5 | 131.6 | 177.3 | -62.8 | -174.9 | -12.8 | 0 | 0 | 112 | D50 Y52 L101 Q136 I137 K138 T142 S144 | D50-Q140 PolarHBondContact OD2-NE2 2.82Å; D50-Q140 PolarHBondContact OD2-OE1 3.39Å; Y52-Q140 PolarHBondContact OH-NE2 2.73Å; L101-Q140 HydrophobicContact CD2-CG 4.43Å; Q136-Q140 WeakPolarHBondContact O-CG 3.46Å; Q136-Q140 PolarHBondContact O-N 2.95Å; I137-Q140 WeakPolarHBondContact O-CB 3.38Å; I137-Q140 PolarHBondContact O-N 2.88Å; K138-Q140 VanDerWaalsContact C-N 3.29Å; Q140-T142 PolarHBondContact OE1-O 3.38Å; Q140-S144 PolarHBondContact OE1-OG 3.15Å | ||
| 141 | S | 69.6 | Low | 86.8 | Confident | 121 Ų | 121 | 47.8 Ų | 47.8 | 85% | 0.846 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -78.1 | -31.5 | 172.3 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | Q139 | Q139-S141 PolarHBondContact O-N 3.06Š|
| 142 | T | 67.5 | Low | 86.6 | Confident | 77 Ų | 77 | 43.9 Ų | 43.9 | 47% | 0.472 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -97.5 | 126.1 | 179.4 | 55.7 | 0 | 0 | 0 | 0 | 110 | Q140 S144 | Q140-T142 PolarHBondContact OE1-O 3.38Å; T142-S144 PolarHBondContact O-N 3.45Å; T142-S144 PolarHBondContact O-OG 3.06Å |
| 143 | K | 65.1 | Low | 86 | Confident | 156 Ų | 156 | 41.3 Ų | 41.3 | 68% | 0.678 | 22% | 0.224 | S | C | * | . | trans | -76.4 | 107.1 | 174.1 | -66.6 | -179.9 | -179.6 | 172.8 | 0 | 109.8 | K305 | K143-K305 HydrophobicContact CD-CB 4.29Å; K143-K305 WeakPolarHBondContact CD-O 3.25Å | ||
| 144 | S | 67.8 | Low | 85 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | trans | -121.3 | 157.9 | 177.2 | 28.9 | 0 | 0 | 0 | 0 | 111.2 | D50 R85 Q140 T142 S146 | D50-S144 VanDerWaalsContact OD2-CB 3.31Å; D50-S144 WeakPolarHBondContact OD2-CB 3.33Å; D50-S144 PolarHBondContact OD2-OG 2.77Å; R85-S144 PolarHBondContact NH2-OG 2.83Å; Q140-S144 PolarHBondContact OE1-OG 3.15Å; T142-S144 PolarHBondContact O-N 3.45Å; T142-S144 PolarHBondContact O-OG 3.06Å; S144-S146 PolarHBondContact O-N 3.5Å; S144-S146 VanDerWaalsContact O-N 3.16Å | ||
| 145 | S | 77 | Confident | 84.6 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 20% | 0.203 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 112.5 | 175.3 | -172.3 | 0 | 0 | 0 | 0 | 109.4 | D50 | D50-S145 PolarHBondContact N-O 2.82Å |
| 146 | S | 85.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132.7 | -176.2 | -67.7 | 0 | 0 | 0 | 0 | 111 | S144 A176 R177 | S144-S146 PolarHBondContact O-N 3.5Å; S144-S146 VanDerWaalsContact O-N 3.16Å; S146-A176 CarbonylContact O-C 3.5Å; S146-A176 WeakPolarHBondContact O-CA 3.25Å; S146-R177 PolarHBondContact O-N 2.82Å |
| 147 | I | 87.6 | Confident | 84.2 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 121.1 | -178.7 | -60.1 | 175.4 | 0 | 0 | 0 | 107.9 | Y49 D50 L51 Y52 Y179 S222 | Y49-I147 HydrophobicContact CD1-CD1 3.89Å; Y49-I147 HydrophobicContact CG-CD1 4.29Å; D50-I147 PolarHBondContact O-N 2.91Å; L51-I147 HydrophobicContact CD1-CB 4.07Å; L51-I147 HydrophobicContact CD1-CG2 3.83Å; Y52-I147 PolarHBondContact N-O 3.3Å; I147-Y179 HydrophobicContact CG2-CD2 3.6Å; I147-Y179 HydrophobicContact CG2-CE2 3.78Å; I147-S222 WeakPolarHBondContact CD1-O 3.23Å |
| 148 | I | 93.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.3 | 172.1 | -60.3 | 177.5 | 0 | 0 | 0 | 107.7 | Y52 V54 I130 A133 I137 A171 A176 R177 V178 Y179 | Y52-I148 WeakPolarHBondContact O-CA 2.92Å; V54-I148 HydrophobicContact CB-CG2 4.46Å; V54-I148 HydrophobicContact CG2-CG2 3.73Å; I130-I148 HydrophobicContact CG2-CD1 4.47Å; A133-I148 HydrophobicContact CB-CD1 4.09Å; A133-I148 HydrophobicContact CB-CG1 4.34Å; I137-I148 HydrophobicContact CD1-CD1 4.02Å; I137-I148 HydrophobicContact CD1-CG1 4.19Å; I148-A171 HydrophobicContact CD1-CB 3.69Å; I148-A176 HydrophobicContact CD1-CB 4.08Å; I148-A176 HydrophobicContact CG1-CB 4.34Å; I148-R177 PolarHBondContact N-O 3.2Å; I148-V178 HydrophobicContact CB-CG2 4.48Å; I148-Y179 PolarHBondContact O-N 2.83Å |
| 149 | L | 94.2 | Very high | 84.5 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 98.2 | 174.5 | -175 | 65.6 | 0 | 0 | 0 | 108.7 | L51 Y52 F53 V54 F71 L75 V181 I218 | L51-L149 HydrophobicContact CD1-CB 4.22Å; Y52-L149 PolarHBondContact O-N 3.11Å; F53-L149 HydrophobicContact CD1-CD2 4.03Å; F53-L149 HydrophobicContact CE1-CD2 3.84Å; V54-L149 PolarHBondContact N-O 3.24Å; F71-L149 HydrophobicContact CE1-CD2 4.1Å; F71-L149 HydrophobicContact CZ-CD2 4.11Å; L75-L149 HydrophobicContact CD1-CD2 4.17Å; L75-L149 HydrophobicContact CD2-CD2 4.33Å; L149-V181 HydrophobicContact CD1-CG2 3.65Å; L149-V181 HydrophobicContact CG-CG2 4.33Å; L149-I218 HydrophobicContact CD1-CD1 4.3Å; L149-I218 HydrophobicContact CD2-CD1 4.4Å |
| 150 | A | 95.5 | Very high | 84.7 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 132 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V54 M126 Y179 C180 V181 | V54-A150 HydrophobicContact CB-CB 4.31Å; V54-A150 CarbonylContact O-C 3.56Å; V54-A150 VanDerWaalsContact O-CA 3.28Å; V54-A150 WeakPolarHBondContact O-CA 2.96Å; M126-A150 HydrophobicContact SD-CB 4.19Å; A150-Y179 PolarHBondContact N-O 3.05Å; A150-C180 CarbonylContact O-C 3.55Å; A150-C180 WeakPolarHBondContact O-CA 3.5Å; A150-V181 PolarHBondContact O-N 2.78Å |
| 151 | L | 94.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128.1 | 175.3 | -170.9 | 155.3 | 0 | 0 | 0 | 109.2 | V54 L55 D56 I68 F71 V181 V183 F208 L211 | V54-L151 PolarHBondContact O-N 2.97Å; L55-L151 HydrophobicContact CD2-CB 4.18Å; D56-L151 WeakPolarHBondContact CB-O 3.2Å; D56-L151 PolarHBondContact N-O 3.37Å; I68-L151 HydrophobicContact CD1-CD2 3.79Å; I68-L151 HydrophobicContact CG1-CD2 3.81Å; I68-L151 HydrophobicContact CG2-CD1 4.34Å; I68-L151 HydrophobicContact CG2-CD2 4.24Å; F71-L151 HydrophobicContact CD1-CD1 3.73Å; F71-L151 HydrophobicContact CE1-CD1 3.91Å; L151-V181 WeakPolarHBondContact CA-O 2.97Å; L151-V181 HydrophobicContact CB-CB 4.39Å; L151-V181 HydrophobicContact CD1-CB 4.43Å; L151-V181 HydrophobicContact CD1-CG1 4.29Å; L151-V181 HydrophobicContact CG-CB 4.2Å; L151-V181 HydrophobicContact CG-CG1 4.36Å; L151-V183 HydrophobicContact CD2-CG2 4.44Å; L151-F208 HydrophobicContact CD2-CE1 4.27Å; L151-L211 HydrophobicContact CD1-CD1 4.29Å; L151-L211 HydrophobicContact CD1-CD2 4.23Å |
| 152 | T | 91.9 | Very high | 86.6 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 154.8 | 176.2 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | D56 M126 V181 G182 V183 L191 | D56-T152 PolarHBondContact OD2-OG1 2.56Å; M126-T152 HydrophobicContact SD-CG2 4.22Å; T152-V181 PolarHBondContact N-O 3.48Å; T152-V181 VanDerWaalsContact N-O 3.1Å; T152-G182 WeakPolarHBondContact O-CA 3.14Å; T152-V183 PolarHBondContact O-N 3.28Å; T152-L191 HydrophobicContact CG2-CD2 3.87Å |
| 153 | D | 84.3 | Confident | 88 | Confident | 11 Ų | 11 | 47.2 Ų | 47.2 | 6% | 0.059 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -110.1 | 2.5 | -175.3 | 77.4 | -25.6 | 0 | 0 | 0 | 114.5 | S60 V61 V183 F208 | S60-D153 WeakPolarHBondContact CB-OD1 3.47Å; S60-D153 WeakPolarHBondContact CB-OD2 3.38Å; S60-D153 PolarHBondContact OG-OD1 2.88Å; S60-D153 PolarHBondContact OG-OD2 3.37Å; V61-D153 HydrophobicContact CG1-CB 3.72Å; V61-D153 WeakPolarHBondContact CG1-OD1 3.38Å; V61-D153 WeakPolarHBondContact CG1-OD2 3.34Å; V61-D153 PolarHBondContact N-OD2 3.2Å; D153-V183 CarbonylContact C-O 3.44Å; D153-V183 VanDerWaalsContact C-O 3.27Å; D153-V183 VanDerWaalsContact CA-O 3.23Å; D153-V183 WeakPolarHBondContact CA-O 3.34Å; D153-F208 HydrophobicContact CB-CE2 4.26Å; D153-F208 HydrophobicContact CB-CZ 3.69Å |
| 154 | G | 76.6 | Confident | 89.5 | Confident | 19 Ų | 19 | 39.8 Ų | 39.8 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -145 | 174.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 155 | K | 84.9 | Confident | 90.8 | Very high | 137 Ų | 137 | 42 Ų | 42 | 60% | 0.596 | 21% | 0.206 | S | C | * | . | P | Polyproline II helix | trans | -80.5 | 136.9 | 173.1 | -53.7 | -167.2 | 178.6 | -173.6 | 0 | 109.6 | D185 D187 | K155-D185 VanDerWaalsContact CG-O 3.25Å; K155-D185 WeakPolarHBondContact CG-O 3.22Å; K155-D187 HydrophobicContact CD-CB 4.16Å; K155-D187 HydrophobicContact CG-CB 4.05Å |
| 156 | L | 89.6 | Confident | 91.7 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -78.9 | 140.9 | 173.4 | -63.6 | 146.5 | 0 | 0 | 0 | 108.6 | T124 M126 I160 H161 Q190 I194 | T124-L156 HydrophobicContact CG2-CD2 4.39Å; M126-L156 HydrophobicContact CB-CD2 3.8Å; M126-L156 HydrophobicContact CE-CD1 3.54Å; M126-L156 HydrophobicContact CE-CD2 4.25Å; M126-L156 HydrophobicContact CE-CG 4.48Å; L156-I160 HydrophobicContact CD2-CG2 3.82Å; L156-H161 HydrophobicContact CB-CB 4.11Å; L156-Q190 PolarHBondContact O-NE2 3.38Å; L156-Q190 PolarHBondContact O-OE1 3.31Å; L156-I194 HydrophobicContact CD1-CD1 3.4Å |
| 157 | E | 91.3 | Very high | 92.2 | Very high | 131 Ų | 131 | 47.1 Ų | 47.1 | 61% | 0.612 | 23% | 0.227 | S | C | * | . | P | Polyproline II helix | trans | -59.7 | 151.1 | 167.6 | -66.5 | -175.4 | -175.3 | 0 | 0 | 110.5 | Y159 I160 H161 | E157-Y159 VanDerWaalsContact C-N 3.3Å; E157-Y159 PolarHBondContact O-N 3.36Å; E157-I160 HydrophobicContact CB-CB 4.33Å; E157-I160 HydrophobicContact CB-CG1 4.02Å; E157-I160 CarbonylContact O-C 3.43Å; E157-I160 PolarHBondContact O-N 2.86Å; E157-H161 WeakPolarHBondContact O-CB 3.47Å; E157-H161 PolarHBondContact O-N 3.3Å |
| 158 | V | 92 | Very high | 92.5 | Very high | 125 Ų | 125 | 47 Ų | 47 | 76% | 0.758 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -53.6 | -45 | -173.1 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | E162 | V158-E162 PolarHBondContact O-N 3.29Å |
| 159 | Y | 94.1 | Very high | 92.5 | Very high | 153 Ų | 153 | 50 Ų | 50 | 60% | 0.6 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -68.7 | -40.1 | 179.1 | -179 | -110 | 0 | 0 | 0 | 112.4 | E157 H161 E162 L163 | E157-Y159 VanDerWaalsContact C-N 3.3Å; E157-Y159 PolarHBondContact O-N 3.36Å; Y159-H161 VanDerWaalsContact C-N 3.35Å; Y159-E162 PolarHBondContact O-N 3.07Å; Y159-L163 HydrophobicContact CD1-CD1 3.94Å; Y159-L163 HydrophobicContact CE1-CD1 3.39Å; Y159-L163 HydrophobicContact CE1-CG 4.18Å; Y159-L163 HydrophobicContact CE2-CD1 4.47Å; Y159-L163 HydrophobicContact CE2-CG 4.44Å; Y159-L163 WeakPolarHBondContact O-CG 3.34Å; Y159-L163 PolarHBondContact O-N 3.11Å; Y159-L163 VanDerWaalsContact O-N 3.11Å |
| 160 | I | 95 | Very high | 92.3 | Very high | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.8 | -38.3 | 178.6 | -56.8 | -57.5 | 0 | 0 | 0 | 110.7 | Y125 L156 E157 L163 T164 | Y125-I160 HydrophobicContact CD1-CD1 3.51Å; Y125-I160 HydrophobicContact CD1-CG1 4.11Å; Y125-I160 HydrophobicContact CE1-CD1 3.58Å; Y125-I160 HydrophobicContact CE1-CG1 4.22Å; Y125-I160 HydrophobicContact CG-CD1 4.43Å; L156-I160 HydrophobicContact CD2-CG2 3.82Å; E157-I160 HydrophobicContact CB-CB 4.33Å; E157-I160 HydrophobicContact CB-CG1 4.02Å; E157-I160 CarbonylContact O-C 3.43Å; E157-I160 PolarHBondContact O-N 2.86Å; I160-L163 PolarHBondContact O-N 2.97Å; I160-T164 VanDerWaalsContact O-CB 3.28Å; I160-T164 WeakPolarHBondContact O-CB 3.18Å; I160-T164 PolarHBondContact O-N 2.88Å; I160-T164 PolarHBondContact O-OG1 2.96Å |
| 161 | H | 95.3 | Very high | 92.1 | Very high | 26 Ų | 26 | 53 Ų | 53 | 12% | 0.12 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.8 | -49.6 | 173.8 | -179.4 | 51.6 | 0 | 0 | 0 | 111.4 | L156 E157 Y159 L163 T164 K165 Q190 D193 | L156-H161 HydrophobicContact CB-CB 4.11Å; E157-H161 WeakPolarHBondContact O-CB 3.47Å; E157-H161 PolarHBondContact O-N 3.3Å; Y159-H161 VanDerWaalsContact C-N 3.35Å; H161-L163 PolarHBondContact O-N 3.46Å; H161-T164 PolarHBondContact O-N 3.46Å; H161-K165 PolarHBondContact O-N 2.96Å; H161-Q190 VanDerWaalsContact CE1-CA 3.44Å; H161-Q190 WeakPolarHBondContact CE1-CA 3.4Å; H161-Q190 PolarHBondContact CE1-O 3.46Å; H161-D193 IonicContact CE1-OD2 3.31Å; H161-D193 IonicContact NE2-OD2 3.17Å; H161-D193 PolarHBondContact NE2-OD2 2.87Å |
| 162 | E | 95.9 | Very high | 91.8 | Very high | 110 Ų | 110 | 55.4 Ų | 55.4 | 51% | 0.514 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 179.4 | -172.4 | 175.7 | -176.2 | 0 | 0 | 112.3 | V158 Y159 T164 K165 Q166 | V158-E162 PolarHBondContact O-N 3.29Å; Y159-E162 PolarHBondContact O-N 3.07Å; E162-T164 VanDerWaalsContact C-N 3.31Å; E162-T164 PolarHBondContact O-N 3.32Å; E162-K165 PolarHBondContact O-N 3.36Å; E162-Q166 WeakPolarHBondContact O-CG 3.43Å; E162-Q166 PolarHBondContact O-N 2.66Å; E162-Q166 VanDerWaalsContact O-N 3.09Å |
| 163 | L | 96.8 | Very high | 91.5 | Very high | 35 Ų | 35 | 62.5 Ų | 62.5 | 18% | 0.183 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 175.1 | -70.9 | 178.6 | 0 | 0 | 0 | 112.1 | H127 Y159 I160 H161 K165 Q166 Q167 | H127-L163 HydrophobicContact CB-CB 3.93Å; Y159-L163 HydrophobicContact CD1-CD1 3.94Å; Y159-L163 HydrophobicContact CE1-CD1 3.39Å; Y159-L163 HydrophobicContact CE1-CG 4.18Å; Y159-L163 HydrophobicContact CE2-CD1 4.47Å; Y159-L163 HydrophobicContact CE2-CG 4.44Å; Y159-L163 WeakPolarHBondContact O-CG 3.34Å; Y159-L163 PolarHBondContact O-N 3.11Å; Y159-L163 VanDerWaalsContact O-N 3.11Å; I160-L163 PolarHBondContact O-N 2.97Å; H161-L163 PolarHBondContact O-N 3.46Å; L163-K165 VanDerWaalsContact C-N 3.33Å; L163-K165 PolarHBondContact O-N 3.22Å; L163-Q166 PolarHBondContact O-N 3.27Å; L163-Q167 WeakPolarHBondContact O-CG 3.48Å; L163-Q167 PolarHBondContact O-N 3.12Å |
| 164 | T | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.5 | -40.3 | -179.2 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | M126 H127 I130 I160 H161 E162 Q167 A168 I194 | M126-T164 HydrophobicContact CB-CG2 4.19Å; M126-T164 HydrophobicContact CE-CG2 3.53Å; M126-T164 HydrophobicContact CG-CG2 4.07Å; H127-T164 PolarHBondContact N-OG1 3.12Å; I130-T164 HydrophobicContact CD1-CG2 3.57Å; I160-T164 VanDerWaalsContact O-CB 3.28Å; I160-T164 WeakPolarHBondContact O-CB 3.18Å; I160-T164 PolarHBondContact O-N 2.88Å; I160-T164 PolarHBondContact O-OG1 2.96Å; H161-T164 PolarHBondContact O-N 3.46Å; E162-T164 VanDerWaalsContact C-N 3.31Å; E162-T164 PolarHBondContact O-N 3.32Å; T164-Q167 PolarHBondContact O-N 2.66Å; T164-A168 WeakPolarHBondContact O-CB 3.49Å; T164-A168 PolarHBondContact O-N 3.36Å; T164-I194 HydrophobicContact CG2-CD1 3.75Å; T164-I194 HydrophobicContact CG2-CG1 4.01Å; T164-I194 HydrophobicContact CG2-CG2 3.92Å |
| 165 | K | 95.3 | Very high | 91.5 | Very high | 76 Ų | 76 | 66.4 Ų | 66.4 | 33% | 0.33 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 173.1 | -176.4 | 176.7 | -179.1 | 170.7 | 0 | 111.6 | H161 E162 L163 Q167 A168 D169 | H161-K165 PolarHBondContact O-N 2.96Å; E162-K165 PolarHBondContact O-N 3.36Å; L163-K165 VanDerWaalsContact C-N 3.33Å; L163-K165 PolarHBondContact O-N 3.22Å; K165-Q167 PolarHBondContact O-N 2.66Å; K165-A168 PolarHBondContact O-N 3.37Å; K165-D169 PolarHBondContact O-N 2.89Å |
| 166 | Q | 95.6 | Very high | 91.5 | Very high | 100 Ų | 100 | 60.1 Ų | 60.1 | 47% | 0.467 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 177.2 | -68.6 | 176.5 | 8.5 | 0 | 0 | 112.4 | E162 L163 D169 E170 | E162-Q166 WeakPolarHBondContact O-CG 3.43Å; E162-Q166 PolarHBondContact O-N 2.66Å; E162-Q166 VanDerWaalsContact O-N 3.09Å; L163-Q166 PolarHBondContact O-N 3.27Å; Q166-D169 PolarHBondContact O-N 2.96Å; Q166-E170 PolarHBondContact O-N 3.42Å |
| 167 | Q | 96.2 | Very high | 91.4 | Very high | 38 Ų | 38 | 60.1 Ų | 60.1 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.8 | -37.5 | 177 | -68.2 | -56.3 | -56.5 | 0 | 0 | 112.1 | H127 I130 K131 L163 T164 K165 E170 A171 | H127-Q167 HydrophobicContact CB-CG 4.07Å; I130-Q167 HydrophobicContact CB-CB 4.2Å; I130-Q167 HydrophobicContact CG2-CB 3.95Å; K131-Q167 HydrophobicContact CB-CG 4.45Å; L163-Q167 WeakPolarHBondContact O-CG 3.48Å; L163-Q167 PolarHBondContact O-N 3.12Å; T164-Q167 PolarHBondContact O-N 2.66Å; K165-Q167 PolarHBondContact O-N 2.66Å; Q167-E170 PolarHBondContact O-N 2.99Å; Q167-A171 PolarHBondContact O-N 3.3Å |
| 168 | A | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I130 T164 K165 E170 A171 R172 V178 I194 | I130-A168 HydrophobicContact CD1-CB 4.33Å; T164-A168 WeakPolarHBondContact O-CB 3.49Å; T164-A168 PolarHBondContact O-N 3.36Å; K165-A168 PolarHBondContact O-N 3.37Å; A168-E170 VanDerWaalsContact C-N 3.31Å; A168-E170 PolarHBondContact O-N 3.3Å; A168-A171 WeakPolarHBondContact O-CB 3.34Å; A168-A171 PolarHBondContact O-N 2.98Å; A168-R172 WeakPolarHBondContact O-CG 3.47Å; A168-R172 PolarHBondContact O-N 2.88Å; A168-V178 HydrophobicContact CB-CG2 4.32Å; A168-I194 HydrophobicContact CB-CG2 4.13Å; A168-I194 WeakPolarHBondContact CB-O 3.23Å |
| 169 | D | 92.2 | Very high | 91.3 | Very high | 64 Ų | 64 | 47.9 Ų | 47.9 | 34% | 0.342 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.7 | -37.3 | 173.5 | -78 | -32.7 | 0 | 0 | 0 | 112.5 | K165 Q166 R172 K173 | K165-D169 PolarHBondContact O-N 2.89Å; Q166-D169 PolarHBondContact O-N 2.96Å; D169-R172 PolarHBondContact O-N 3.2Å; D169-R172 IonicContact OD1-CZ 3.54Å; D169-R172 IonicContact OD1-NE 2.66Å; D169-R172 PolarHBondContact OD1-NE 2.85Å; D169-R172 IonicContact OD1-NH2 3.21Å; D169-R172 PolarHBondContact OD1-NH2 3.34Å; D169-K173 WeakPolarHBondContact O-CG 3.3Å; D169-K173 PolarHBondContact O-N 2.71Å |
| 170 | E | 91.8 | Very high | 91.3 | Very high | 66 Ų | 66 | 40.7 Ų | 40.7 | 31% | 0.308 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.1 | -46.2 | 173 | -179.6 | 164.2 | -167.8 | 0 | 0 | 111.6 | Q166 Q167 A168 R172 K173 Y174 | Q166-E170 PolarHBondContact O-N 3.42Å; Q167-E170 PolarHBondContact O-N 2.99Å; A168-E170 VanDerWaalsContact C-N 3.31Å; A168-E170 PolarHBondContact O-N 3.3Å; E170-R172 VanDerWaalsContact C-N 3.28Å; E170-R172 PolarHBondContact O-N 2.85Å; E170-K173 WeakPolarHBondContact O-CB 3.49Å; E170-K173 PolarHBondContact O-N 3.45Å; E170-K173 VanDerWaalsContact O-N 3.12Å; E170-Y174 HydrophobicContact CG-CD2 4.4Å; E170-Y174 HydrophobicContact CG-CE2 3.71Å; E170-Y174 WeakPolarHBondContact O-CD2 3.21Å |
| 171 | A | 91.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.4 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I130 S134 I148 Q167 A168 K173 Y174 G175 A176 | I130-A171 HydrophobicContact CG2-CB 4.43Å; S134-A171 VanDerWaalsContact OG-CB 3.25Å; S134-A171 WeakPolarHBondContact OG-CB 3.5Å; I148-A171 HydrophobicContact CD1-CB 3.69Å; Q167-A171 PolarHBondContact O-N 3.3Å; A168-A171 WeakPolarHBondContact O-CB 3.34Å; A168-A171 PolarHBondContact O-N 2.98Å; A171-K173 VanDerWaalsContact C-N 3.31Å; A171-K173 PolarHBondContact O-N 2.85Å; A171-Y174 PolarHBondContact O-N 3.38Å; A171-G175 PolarHBondContact O-N 2.89Å; A171-A176 HydrophobicContact CB-CB 3.92Å; A171-A176 VanDerWaalsContact O-CB 3.26Å; A171-A176 WeakPolarHBondContact O-CB 3.44Å; A171-A176 PolarHBondContact O-N 3.43Å |
| 172 | R | 87.1 | Confident | 91 | Very high | 51 Ų | 51 | 38.9 Ų | 38.9 | 19% | 0.192 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.4 | -36.5 | 177.3 | -77.1 | -176 | -84 | -90.2 | 6 | 113 | A168 D169 E170 Y174 G175 I194 D196 | A168-R172 WeakPolarHBondContact O-CG 3.47Å; A168-R172 PolarHBondContact O-N 2.88Å; D169-R172 PolarHBondContact O-N 3.2Å; D169-R172 IonicContact OD1-CZ 3.54Å; D169-R172 IonicContact OD1-NE 2.66Å; D169-R172 PolarHBondContact OD1-NE 2.85Å; D169-R172 IonicContact OD1-NH2 3.21Å; D169-R172 PolarHBondContact OD1-NH2 3.34Å; E170-R172 VanDerWaalsContact C-N 3.28Å; E170-R172 PolarHBondContact O-N 2.85Å; R172-Y174 PolarHBondContact O-N 3.5Å; R172-G175 WeakPolarHBondContact O-CA 3.23Å; R172-G175 PolarHBondContact O-N 3.25Å; R172-I194 PolarHBondContact NH1-O 2.89Å; R172-D196 IonicContact NH1-OD1 2.76Å |
| 173 | K | 85.1 | Confident | 90.6 | Very high | 152 Ų | 152 | 33.7 Ų | 33.7 | 66% | 0.661 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -60.5 | -30.1 | 176.1 | -69.5 | 170.5 | -173.9 | 170.7 | 0 | 112.6 | D169 E170 A171 G175 K305 | D169-K173 WeakPolarHBondContact O-CG 3.3Å; D169-K173 PolarHBondContact O-N 2.71Å; E170-K173 WeakPolarHBondContact O-CB 3.49Å; E170-K173 PolarHBondContact O-N 3.45Å; E170-K173 VanDerWaalsContact O-N 3.12Å; A171-K173 VanDerWaalsContact C-N 3.31Å; A171-K173 PolarHBondContact O-N 2.85Å; K173-G175 VanDerWaalsContact C-N 3.29Å; K173-K305 PolarHBondContact O-NZ 3.29Å; K173-K305 VanDerWaalsContact O-NZ 3.16Å |
| 174 | Y | 83.6 | Confident | 90 | Very high | 88 Ų | 88 | 35.8 Ų | 35.8 | 35% | 0.345 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 3.2 | 175.5 | -57.3 | -68.5 | 0 | 0 | 0 | 113.4 | K138 E170 A171 R172 | K138-Y174 HydrophobicContact CD-CE1 4.29Å; K138-Y174 HydrophobicContact CG-CE1 4.15Å; E170-Y174 HydrophobicContact CG-CD2 4.4Å; E170-Y174 HydrophobicContact CG-CE2 3.71Å; E170-Y174 WeakPolarHBondContact O-CD2 3.21Å; A171-Y174 PolarHBondContact O-N 3.38Å; R172-Y174 PolarHBondContact O-N 3.5Å |
| 175 | G | 77.6 | Confident | 89.3 | Confident | 24 Ų | 24 | 42.1 Ų | 42.1 | 25% | 0.247 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 16.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A171 R172 K173 | A171-G175 PolarHBondContact O-N 2.89Å; R172-G175 WeakPolarHBondContact O-CA 3.23Å; R172-G175 PolarHBondContact O-N 3.25Å; K173-G175 VanDerWaalsContact C-N 3.29Å |
| 176 | A | 86 | Confident | 88.9 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 142.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I137 S146 I148 A171 | I137-A176 HydrophobicContact CD1-CB 3.7Å; S146-A176 CarbonylContact O-C 3.5Å; S146-A176 WeakPolarHBondContact O-CA 3.25Å; I148-A176 HydrophobicContact CD1-CB 4.08Å; I148-A176 HydrophobicContact CG1-CB 4.34Å; A171-A176 HydrophobicContact CB-CB 3.92Å; A171-A176 VanDerWaalsContact O-CB 3.26Å; A171-A176 WeakPolarHBondContact O-CB 3.44Å; A171-A176 PolarHBondContact O-N 3.43Å |
| 177 | R | 85.7 | Confident | 88.7 | Confident | 8 Ų | 8 | 36.8 Ų | 36.8 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.6 | 169.5 | -65 | 168.3 | 73.4 | -153.3 | 10 | 109.2 | S146 I148 Y179 D196 R221 S222 G248 I251 | S146-R177 PolarHBondContact O-N 2.82Å; I148-R177 PolarHBondContact N-O 3.2Å; R177-Y179 HydrophobicContact CB-CE2 4.02Å; R177-Y179 PolarHBondContact NH1-OH 3.15Å; R177-Y179 PolarHBondContact NH2-OH 2.91Å; R177-D196 WeakPolarHBondContact CA-OD2 3.41Å; R177-R221 PolarHBondContact NH2-O 3.29Å; R177-S222 PolarHBondContact NH1-O 3.48Å; R177-G248 PolarHBondContact NH2-O 2.92Å; R177-G248 VanDerWaalsContact NH2-O 3.09Å; R177-I251 HydrophobicContact CG-CG2 4.48Å |
| 178 | V | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 122.2 | -176.2 | -172.6 | 0 | 0 | 0 | 0 | 110.8 | I148 A168 I194 A195 D196 | I148-V178 HydrophobicContact CB-CG2 4.48Å; A168-V178 HydrophobicContact CB-CG2 4.32Å; V178-I194 HydrophobicContact CG1-CG2 4.35Å; V178-A195 WeakPolarHBondContact O-CA 3.21Å; V178-D196 PolarHBondContact N-OD1 3.41Å; V178-D196 VanDerWaalsContact N-OD1 3.11Å; V178-D196 PolarHBondContact O-N 2.79Å |
| 179 | Y | 91.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 141.2 | 173.4 | -68.1 | -90.4 | 0 | 0 | 0 | 110.3 | I147 I148 A150 R177 N200 F202 R221 S222 | I147-Y179 HydrophobicContact CG2-CD2 3.6Å; I147-Y179 HydrophobicContact CG2-CE2 3.78Å; I148-Y179 PolarHBondContact O-N 2.83Å; A150-Y179 PolarHBondContact N-O 3.05Å; R177-Y179 HydrophobicContact CB-CE2 4.02Å; R177-Y179 PolarHBondContact NH1-OH 3.15Å; R177-Y179 PolarHBondContact NH2-OH 2.91Å; Y179-N200 WeakPolarHBondContact CA-O 3.35Å; Y179-N200 HydrophobicContact CD1-CB 3.57Å; Y179-N200 HydrophobicContact CE1-CB 3.77Å; Y179-N200 VanDerWaalsContact CE1-CG 3.45Å; Y179-N200 WeakPolarHBondContact CE1-OD1 3.4Å; Y179-N200 HydrophobicContact CG-CB 4.35Å; Y179-F202 AromaticContact CD1-CE2 3.61Å; Y179-F202 HydrophobicContact CD1-CE2 3.61Å; Y179-F202 HydrophobicContact CD1-CZ 4.24Å; Y179-F202 HydrophobicContact CE1-CE2 4.31Å; Y179-F202 HydrophobicContact CG-CE2 4.42Å; Y179-R221 HydrophobicContact CE1-CB 4.31Å; Y179-R221 PolarHBondContact OH-O 3.21Å; Y179-S222 WeakPolarHBondContact OH-CA 3.48Å |
| 180 | C | 93.3 | Very high | 88.2 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130 | 179.7 | -66.2 | 0 | 0 | 0 | 0 | 110.1 | A150 L191 A195 N200 V201 F202 | A150-C180 CarbonylContact O-C 3.55Å; A150-C180 WeakPolarHBondContact O-CA 3.5Å; C180-L191 HydrophobicContact CB-CB 3.96Å; C180-L191 HydrophobicContact CB-CD1 4.21Å; C180-L191 HydrophobicContact CB-CD2 4.14Å; C180-L191 HydrophobicContact CB-CG 4.33Å; C180-A195 HydrophobicContact CB-CB 4.29Å; C180-N200 PolarHBondContact N-O 2.87Å; C180-V201 CarbonylContact O-C 3.6Å; C180-V201 WeakPolarHBondContact O-CA 3.39Å; C180-F202 PolarHBondContact O-N 2.82Å |
| 181 | V | 92.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 107.7 | 171.8 | -175.1 | 0 | 0 | 0 | 0 | 107.2 | F71 L149 A150 L151 T152 V183 F202 V204 L211 I218 | F71-V181 HydrophobicContact CZ-CG2 4.46Å; L149-V181 HydrophobicContact CD1-CG2 3.65Å; L149-V181 HydrophobicContact CG-CG2 4.33Å; A150-V181 PolarHBondContact O-N 2.78Å; L151-V181 WeakPolarHBondContact CA-O 2.97Å; L151-V181 HydrophobicContact CB-CB 4.39Å; L151-V181 HydrophobicContact CD1-CB 4.43Å; L151-V181 HydrophobicContact CD1-CG1 4.29Å; L151-V181 HydrophobicContact CG-CB 4.2Å; L151-V181 HydrophobicContact CG-CG1 4.36Å; T152-V181 PolarHBondContact N-O 3.48Å; T152-V181 VanDerWaalsContact N-O 3.1Å; V181-V183 HydrophobicContact CG1-CG2 4.42Å; V181-F202 HydrophobicContact CG2-CB 4.38Å; V181-F202 HydrophobicContact CG2-CD2 4.34Å; V181-V204 HydrophobicContact CG1-CG2 3.73Å; V181-L211 HydrophobicContact CG1-CD2 3.54Å; V181-I218 HydrophobicContact CG2-CD1 4.05Å |
| 182 | G | 90.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 125.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | T152 F186 F202 V204 | T152-G182 WeakPolarHBondContact O-CA 3.14Å; G182-F186 WeakPolarHBondContact O-CD1 3.41Å; G182-F186 VanDerWaalsContact O-CE1 3.27Å; G182-F186 WeakPolarHBondContact O-CE1 3.18Å; G182-F202 PolarHBondContact N-O 2.92Å; G182-V204 WeakPolarHBondContact O-CG2 3.4Å; G182-V204 PolarHBondContact O-N 2.81Å |
| 183 | V | 87.3 | Confident | 88.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 147.1 | 178.1 | -162 | 0 | 0 | 0 | 0 | 109.7 | L151 T152 D153 V181 D185 V204 F208 L211 | L151-V183 HydrophobicContact CD2-CG2 4.44Å; T152-V183 PolarHBondContact O-N 3.28Å; D153-V183 CarbonylContact C-O 3.44Å; D153-V183 VanDerWaalsContact C-O 3.27Å; D153-V183 VanDerWaalsContact CA-O 3.23Å; D153-V183 WeakPolarHBondContact CA-O 3.34Å; V181-V183 HydrophobicContact CG1-CG2 4.42Å; V183-D185 PolarHBondContact O-N 3.27Å; V183-V204 HydrophobicContact CB-CB 4.47Å; V183-V204 HydrophobicContact CG1-CB 4.19Å; V183-V204 HydrophobicContact CG1-CG1 4.48Å; V183-V204 HydrophobicContact CG2-CB 4.23Å; V183-V204 HydrophobicContact CG2-CG2 4.2Å; V183-F208 HydrophobicContact CB-CD1 4.35Å; V183-F208 HydrophobicContact CB-CD2 4.38Å; V183-F208 HydrophobicContact CB-CE1 4Å; V183-F208 HydrophobicContact CB-CE2 4.07Å; V183-F208 HydrophobicContact CB-CZ 3.87Å; V183-F208 HydrophobicContact CG1-CB 4.33Å; V183-F208 HydrophobicContact CG1-CD1 3.91Å; V183-F208 HydrophobicContact CG1-CD2 3.48Å; V183-F208 VanDerWaalsContact CG1-CD2 3.48Å; V183-F208 HydrophobicContact CG1-CE1 4Å; V183-F208 HydrophobicContact CG1-CE2 3.62Å; V183-F208 HydrophobicContact CG1-CG 3.63Å; V183-F208 HydrophobicContact CG1-CZ 3.89Å; V183-F208 HydrophobicContact CG2-CD1 4.15Å; V183-F208 HydrophobicContact CG2-CE1 3.91Å; V183-F208 HydrophobicContact CG2-CZ 4.3Å; V183-L211 HydrophobicContact CG2-CD1 4.48Å; V183-L211 HydrophobicContact CG2-CD2 4.15Å |
| 184 | L | 84.3 | Confident | 89 | Confident | 80 Ų | 80 | 35 Ų | 35 | 42% | 0.419 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 56.8 | -116.5 | 179.9 | -57.6 | 177.7 | 0 | 0 | 0 | 113.2 | F186 V204 F208 | L184-F186 VanDerWaalsContact C-N 3.34Å; L184-F186 WeakPolarHBondContact O-CD1 3.41Å; L184-F186 PolarHBondContact O-N 2.76Å; L184-V204 PolarHBondContact N-O 3.35Å; L184-F208 HydrophobicContact CD1-CD2 4.4Å; L184-F208 HydrophobicContact CD1-CE2 3.85Å; L184-F208 HydrophobicContact CG-CD2 4.46Å; L184-F208 HydrophobicContact CG-CE2 4.12Å |
| 185 | D | 81.6 | Confident | 89.3 | Confident | 133 Ų | 133 | 30.9 Ų | 30.9 | 71% | 0.711 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -96.2 | 37.5 | -165.9 | -68.9 | -31 | 0 | 0 | 0 | 112.9 | K155 V183 | K155-D185 VanDerWaalsContact CG-O 3.25Å; K155-D185 WeakPolarHBondContact CG-O 3.22Å; V183-D185 PolarHBondContact O-N 3.27Å |
| 186 | F | 87.9 | Confident | 89.6 | Confident | 21 Ų | 21 | 29.8 Ų | 29.8 | 9% | 0.092 | 15% | 0.152 | C | C | . | . | trans | -69.8 | 156.9 | 174.8 | 70.2 | -83.5 | 0 | 0 | 0 | 112.3 | G182 L184 E188 L191 P203 | G182-F186 WeakPolarHBondContact O-CD1 3.41Å; G182-F186 VanDerWaalsContact O-CE1 3.27Å; G182-F186 WeakPolarHBondContact O-CE1 3.18Å; L184-F186 VanDerWaalsContact C-N 3.34Å; L184-F186 WeakPolarHBondContact O-CD1 3.41Å; L184-F186 PolarHBondContact O-N 2.76Å; F186-E188 HydrophobicContact CE2-CB 4.01Å; F186-E188 HydrophobicContact CE2-CG 4.43Å; F186-L191 HydrophobicContact CB-CD1 4.01Å; F186-L191 HydrophobicContact CD2-CD1 3.58Å; F186-L191 HydrophobicContact CD2-CG 4.37Å; F186-L191 HydrophobicContact CE2-CD1 4.44Å; F186-L191 HydrophobicContact CG-CD1 4.02Å; F186-P203 HydrophobicContact CE1-CB 4.17Å; F186-P203 HydrophobicContact CE2-CB 3.99Å; F186-P203 HydrophobicContact CZ-CB 3.3Å | ||
| 187 | D | 90.6 | Very high | 89.4 | Confident | 42 Ų | 42 | 30.7 Ų | 30.7 | 23% | 0.225 | 16% | 0.158 | C | C | . | . | trans | -97.7 | 112.3 | 171.1 | -166.5 | -48.5 | 0 | 0 | 0 | 110.4 | K155 Q189 Q190 L191 | K155-D187 HydrophobicContact CD-CB 4.16Å; K155-D187 HydrophobicContact CG-CB 4.05Å; D187-Q189 PolarHBondContact O-N 2.78Å; D187-Q189 WeakPolarHBondContact OD1-CB 3.49Å; D187-Q189 PolarHBondContact OD1-N 3.38Å; D187-Q190 HydrophobicContact CB-CB 3.95Å; D187-Q190 HydrophobicContact CB-CG 3.76Å; D187-Q190 PolarHBondContact O-N 3.46Å; D187-Q190 PolarHBondContact OD1-N 3.24Å; D187-L191 WeakPolarHBondContact O-CG 3.06Å; D187-L191 PolarHBondContact O-N 3.46Å | ||
| 188 | E | 90.3 | Very high | 89.4 | Confident | 70 Ų | 70 | 36.8 Ų | 36.8 | 33% | 0.327 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.6 | -32 | -178 | -166.4 | -179.1 | 147.4 | 0 | 0 | 112.3 | F186 A192 K198 | F186-E188 HydrophobicContact CE2-CB 4.01Å; F186-E188 HydrophobicContact CE2-CG 4.43Å; E188-A192 VanDerWaalsContact O-CB 3.23Å; E188-A192 WeakPolarHBondContact O-CB 3.49Å; E188-A192 PolarHBondContact O-N 3.48Å; E188-K198 WeakPolarHBondContact OE1-CE 3.41Å; E188-K198 IonicContact OE1-NZ 2.64Å; E188-K198 PolarHBondContact OE1-NZ 2.79Å |
| 189 | Q | 90.8 | Very high | 88.9 | Confident | 152 Ų | 152 | 40.7 Ų | 40.7 | 71% | 0.71 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -73.2 | -42.8 | 178.2 | -63.4 | -175.2 | -9.4 | 0 | 0 | 110.8 | D187 L191 A192 D193 | D187-Q189 PolarHBondContact O-N 2.78Å; D187-Q189 WeakPolarHBondContact OD1-CB 3.49Å; D187-Q189 PolarHBondContact OD1-N 3.38Å; Q189-L191 PolarHBondContact O-N 3.33Å; Q189-A192 PolarHBondContact O-N 3.33Å; Q189-D193 PolarHBondContact O-N 2.85Å |
| 190 | Q | 93 | Very high | 88.7 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 174.5 | -67.1 | -176 | -15.7 | 0 | 0 | 111.2 | L156 H161 D187 A192 D193 I194 | L156-Q190 PolarHBondContact O-NE2 3.38Å; L156-Q190 PolarHBondContact O-OE1 3.31Å; H161-Q190 VanDerWaalsContact CE1-CA 3.44Å; H161-Q190 WeakPolarHBondContact CE1-CA 3.4Å; H161-Q190 PolarHBondContact CE1-O 3.46Å; D187-Q190 HydrophobicContact CB-CB 3.95Å; D187-Q190 HydrophobicContact CB-CG 3.76Å; D187-Q190 PolarHBondContact O-N 3.46Å; D187-Q190 PolarHBondContact OD1-N 3.24Å; Q190-A192 VanDerWaalsContact C-N 3.3Å; Q190-A192 PolarHBondContact O-N 2.74Å; Q190-D193 WeakPolarHBondContact O-CB 3.4Å; Q190-D193 PolarHBondContact O-N 3.18Å; Q190-I194 WeakPolarHBondContact O-CD1 3.28Å; Q190-I194 WeakPolarHBondContact O-CG1 3.43Å; Q190-I194 PolarHBondContact O-N 2.95Å |
| 191 | L | 93.4 | Very high | 88.5 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.3 | -32.7 | 178.9 | -66.1 | -170.9 | 0 | 0 | 0 | 112.6 | M126 T152 C180 F186 D187 Q189 I194 A195 V201 | M126-L191 HydrophobicContact CE-CD2 4.47Å; T152-L191 HydrophobicContact CG2-CD2 3.87Å; C180-L191 HydrophobicContact CB-CB 3.96Å; C180-L191 HydrophobicContact CB-CD1 4.21Å; C180-L191 HydrophobicContact CB-CD2 4.14Å; C180-L191 HydrophobicContact CB-CG 4.33Å; F186-L191 HydrophobicContact CB-CD1 4.01Å; F186-L191 HydrophobicContact CD2-CD1 3.58Å; F186-L191 HydrophobicContact CD2-CG 4.37Å; F186-L191 HydrophobicContact CE2-CD1 4.44Å; F186-L191 HydrophobicContact CG-CD1 4.02Å; D187-L191 WeakPolarHBondContact O-CG 3.06Å; D187-L191 PolarHBondContact O-N 3.46Å; Q189-L191 PolarHBondContact O-N 3.33Å; L191-I194 PolarHBondContact O-N 3.39Å; L191-A195 WeakPolarHBondContact O-CB 3.49Å; L191-A195 PolarHBondContact O-N 3.27Å; L191-V201 HydrophobicContact CB-CG1 3.88Å; L191-V201 HydrophobicContact CB-CG2 4.08Å; L191-V201 HydrophobicContact CD1-CG1 4.2Å |
| 192 | A | 92.1 | Very high | 88.3 | Confident | 19 Ų | 19 | 41.5 Ų | 41.5 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.5 | -30.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E188 Q189 Q190 I194 V201 | E188-A192 VanDerWaalsContact O-CB 3.23Å; E188-A192 WeakPolarHBondContact O-CB 3.49Å; E188-A192 PolarHBondContact O-N 3.48Å; Q189-A192 PolarHBondContact O-N 3.33Å; Q190-A192 VanDerWaalsContact C-N 3.3Å; Q190-A192 PolarHBondContact O-N 2.74Å; A192-I194 VanDerWaalsContact C-N 3.33Å; A192-V201 HydrophobicContact CB-CG2 4.12Å |
| 193 | D | 91.9 | Very high | 88.1 | Confident | 62 Ų | 62 | 44.2 Ų | 44.2 | 33% | 0.332 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.6 | -31.6 | 173.2 | -81.8 | -17.1 | 0 | 0 | 0 | 112.6 | H161 Q189 Q190 | H161-D193 IonicContact CE1-OD2 3.31Å; H161-D193 IonicContact NE2-OD2 3.17Å; H161-D193 PolarHBondContact NE2-OD2 2.87Å; Q189-D193 PolarHBondContact O-N 2.85Å; Q190-D193 WeakPolarHBondContact O-CB 3.4Å; Q190-D193 PolarHBondContact O-N 3.18Å |
| 194 | I | 93.2 | Very high | 88 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -84.4 | -46 | -180 | -65.5 | 161.7 | 0 | 0 | 0 | 110.3 | M126 I130 L156 T164 A168 R172 V178 Q190 L191 A192 | M126-I194 HydrophobicContact CE-CD1 3.53Å; M126-I194 HydrophobicContact CE-CG2 4.18Å; I130-I194 HydrophobicContact CD1-CG2 4.04Å; L156-I194 HydrophobicContact CD1-CD1 3.4Å; T164-I194 HydrophobicContact CG2-CD1 3.75Å; T164-I194 HydrophobicContact CG2-CG1 4.01Å; T164-I194 HydrophobicContact CG2-CG2 3.92Å; A168-I194 HydrophobicContact CB-CG2 4.13Å; A168-I194 WeakPolarHBondContact CB-O 3.23Å; R172-I194 PolarHBondContact NH1-O 2.89Å; V178-I194 HydrophobicContact CG1-CG2 4.35Å; Q190-I194 WeakPolarHBondContact O-CD1 3.28Å; Q190-I194 WeakPolarHBondContact O-CG1 3.43Å; Q190-I194 PolarHBondContact O-N 2.95Å; L191-I194 PolarHBondContact O-N 3.39Å; A192-I194 VanDerWaalsContact C-N 3.33Å |
| 195 | A | 91.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -64.1 | 163.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | V178 C180 L191 S197 N200 V201 | V178-A195 WeakPolarHBondContact O-CA 3.21Å; C180-A195 HydrophobicContact CB-CB 4.29Å; L191-A195 WeakPolarHBondContact O-CB 3.49Å; L191-A195 PolarHBondContact O-N 3.27Å; A195-S197 VanDerWaalsContact C-N 3.31Å; A195-S197 PolarHBondContact O-N 3.16Å; A195-N200 HydrophobicContact CB-CB 4.22Å; A195-V201 HydrophobicContact CB-CG2 3.85Å |
| 196 | D | 83.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -62.7 | -38.7 | 177.7 | -92.7 | 24 | 0 | 0 | 0 | 112.4 | R172 R177 V178 N200 G252 Q253 | R172-D196 IonicContact NH1-OD1 2.76Å; R177-D196 WeakPolarHBondContact CA-OD2 3.41Å; V178-D196 PolarHBondContact N-OD1 3.41Å; V178-D196 VanDerWaalsContact N-OD1 3.11Å; V178-D196 PolarHBondContact O-N 2.79Å; D196-N200 HydrophobicContact CB-CB 4.42Å; D196-N200 WeakPolarHBondContact CB-ND2 3.11Å; D196-G252 VanDerWaalsContact CB-CA 3.49Å; D196-G252 CarbonylContact O-C 2.81Å; D196-G252 VanDerWaalsContact O-CA 3.22Å; D196-G252 WeakPolarHBondContact O-CA 3.48Å; D196-G252 PolarHBondContact OD2-N 2.93Å; D196-Q253 WeakPolarHBondContact O-CG 3.26Å; D196-Q253 PolarHBondContact O-N 3.01Å; D196-Q253 VanDerWaalsContact O-N 3.12Å |
| 197 | S | 82.3 | Confident | 86.4 | Confident | 23 Ų | 23 | 47.9 Ų | 47.9 | 16% | 0.161 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -156.5 | 170.4 | 176.7 | 75.9 | 0 | 0 | 0 | 0 | 109.9 | A195 D199 N200 | A195-S197 VanDerWaalsContact C-N 3.31Å; A195-S197 PolarHBondContact O-N 3.16Å; S197-D199 PolarHBondContact O-N 2.99Å; S197-D199 PolarHBondContact OG-N 3.36Å; S197-N200 PolarHBondContact O-N 2.69Å |
| 198 | K | 85.1 | Confident | 85.4 | Confident | 137 Ų | 137 | 46.2 Ų | 46.2 | 60% | 0.596 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -58 | -31.1 | 173.9 | -169.6 | 175.2 | -177.5 | 174.8 | 0 | 112.7 | E188 N200 V201 | E188-K198 WeakPolarHBondContact OE1-CE 3.41Å; E188-K198 IonicContact OE1-NZ 2.64Å; E188-K198 PolarHBondContact OE1-NZ 2.79Å; K198-N200 PolarHBondContact O-N 2.99Å; K198-V201 PolarHBondContact O-N 2.82Å |
| 199 | D | 81.4 | Confident | 84.4 | Confident | 82 Ų | 82 | 50.1 Ų | 50.1 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -72.6 | -12.6 | 176.5 | -67.2 | -34 | 0 | 0 | 0 | 113 | S197 V201 R221 | S197-D199 PolarHBondContact O-N 2.99Å; S197-D199 PolarHBondContact OG-N 3.36Å; D199-V201 VanDerWaalsContact C-N 3.34Å; D199-R221 WeakPolarHBondContact O-CD 3.48Å; D199-R221 PolarHBondContact O-NH1 3.17Å |
| 200 | N | 85.9 | Confident | 83.6 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -96.9 | 7.9 | 177.1 | -63.7 | -21.1 | 0 | 0 | 0 | 112.4 | Y179 C180 A195 D196 S197 K198 | Y179-N200 WeakPolarHBondContact CA-O 3.35Å; Y179-N200 HydrophobicContact CD1-CB 3.57Å; Y179-N200 HydrophobicContact CE1-CB 3.77Å; Y179-N200 VanDerWaalsContact CE1-CG 3.45Å; Y179-N200 WeakPolarHBondContact CE1-OD1 3.4Å; Y179-N200 HydrophobicContact CG-CB 4.35Å; C180-N200 PolarHBondContact N-O 2.87Å; A195-N200 HydrophobicContact CB-CB 4.22Å; D196-N200 HydrophobicContact CB-CB 4.42Å; D196-N200 WeakPolarHBondContact CB-ND2 3.11Å; S197-N200 PolarHBondContact O-N 2.69Å; K198-N200 PolarHBondContact O-N 2.99Å |
| 201 | V | 89.8 | Confident | 82.6 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 126.9 | 169.5 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | C180 L191 A192 A195 K198 D199 P203 | C180-V201 CarbonylContact O-C 3.6Å; C180-V201 WeakPolarHBondContact O-CA 3.39Å; L191-V201 HydrophobicContact CB-CG1 3.88Å; L191-V201 HydrophobicContact CB-CG2 4.08Å; L191-V201 HydrophobicContact CD1-CG1 4.2Å; A192-V201 HydrophobicContact CB-CG2 4.12Å; A195-V201 HydrophobicContact CB-CG2 3.85Å; K198-V201 PolarHBondContact O-N 2.82Å; D199-V201 VanDerWaalsContact C-N 3.34Å; V201-P203 VanDerWaalsContact O-CD 3.3Å; V201-P203 WeakPolarHBondContact O-CD 3.46Å |
| 202 | F | 88.4 | Confident | 81.6 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 97.7 | 176.1 | -61.2 | -80.7 | 0 | 0 | 0 | 109.9 | Y179 C180 V181 G182 I214 I218 R221 | Y179-F202 AromaticContact CD1-CE2 3.61Å; Y179-F202 HydrophobicContact CD1-CE2 3.61Å; Y179-F202 HydrophobicContact CD1-CZ 4.24Å; Y179-F202 HydrophobicContact CE1-CE2 4.31Å; Y179-F202 HydrophobicContact CG-CE2 4.42Å; C180-F202 PolarHBondContact O-N 2.82Å; V181-F202 HydrophobicContact CG2-CB 4.38Å; V181-F202 HydrophobicContact CG2-CD2 4.34Å; G182-F202 PolarHBondContact N-O 2.92Å; F202-I214 HydrophobicContact CB-CG2 3.76Å; F202-I214 HydrophobicContact CD1-CG2 3.83Å; F202-I214 HydrophobicContact CG-CG2 3.89Å; F202-I218 HydrophobicContact CD1-CG1 4.23Å; F202-I218 HydrophobicContact CD2-CD1 4.37Å; F202-I218 HydrophobicContact CD2-CG1 3.73Å; F202-I218 HydrophobicContact CE1-CG1 4.06Å; F202-I218 HydrophobicContact CE2-CB 4.4Å; F202-I218 HydrophobicContact CE2-CG1 3.52Å; F202-I218 HydrophobicContact CG-CG1 4.06Å; F202-I218 HydrophobicContact CZ-CB 4.31Å; F202-I218 HydrophobicContact CZ-CG1 3.71Å; F202-R221 HydrophobicContact CZ-CB 4.12Å; F202-R221 HydrophobicContact CZ-CG 4.39Å |
| 203 | P | 86.2 | Confident | 80.6 | Confident | 58 Ų | 58 | 51 Ų | 51 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 125.4 | 179.6 | 30.6 | -35.3 | 0 | 0 | 0 | 111 | F186 V201 | F186-P203 HydrophobicContact CE1-CB 4.17Å; F186-P203 HydrophobicContact CE2-CB 3.99Å; F186-P203 HydrophobicContact CZ-CB 3.3Å; V201-P203 VanDerWaalsContact O-CD 3.3Å; V201-P203 WeakPolarHBondContact O-CD 3.46Å |
| 204 | V | 85.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 82 | -179.9 | -160.1 | 0 | 0 | 0 | 0 | 109.8 | V181 G182 V183 L184 G207 A210 L211 I214 | V181-V204 HydrophobicContact CG1-CG2 3.73Å; G182-V204 WeakPolarHBondContact O-CG2 3.4Å; G182-V204 PolarHBondContact O-N 2.81Å; V183-V204 HydrophobicContact CB-CB 4.47Å; V183-V204 HydrophobicContact CG1-CB 4.19Å; V183-V204 HydrophobicContact CG1-CG1 4.48Å; V183-V204 HydrophobicContact CG2-CB 4.23Å; V183-V204 HydrophobicContact CG2-CG2 4.2Å; L184-V204 PolarHBondContact N-O 3.35Å; V204-G207 WeakPolarHBondContact CG1-O 3.45Å; V204-A210 HydrophobicContact CG1-CB 3.78Å; V204-L211 HydrophobicContact CG1-CD2 4.46Å; V204-L211 HydrophobicContact CG1-CG 4.42Å; V204-L211 HydrophobicContact CG2-CD2 3.86Å; V204-I214 HydrophobicContact CB-CD1 3.98Å; V204-I214 HydrophobicContact CG1-CD1 3.85Å; V204-I214 HydrophobicContact CG2-CD1 3.27Å |
| 205 | K | 76.7 | Confident | 79.1 | Confident | 156 Ų | 156 | 49.5 Ų | 49.5 | 68% | 0.678 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -28.6 | -175.3 | -63.3 | -173.2 | -179.9 | -177.9 | 0 | 113.6 | G207 | K205-G207 PolarHBondContact O-N 2.92Å; K205-G207 VanDerWaalsContact O-N 3.09Å |
| 206 | D | 75.3 | Confident | 78.3 | Confident | 143 Ų | 143 | 53.6 Ų | 53.6 | 77% | 0.765 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 13.5 | 179.2 | -57.8 | -40.7 | 0 | 0 | 0 | 112.8 | A210 | D206-A210 HydrophobicContact CB-CB 3.8Š|
| 207 | G | 68.9 | Low | 78 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | trans | 78.4 | -179.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V204 K205 H209 A210 | V204-G207 WeakPolarHBondContact CG1-O 3.45Å; K205-G207 PolarHBondContact O-N 2.92Å; K205-G207 VanDerWaalsContact O-N 3.09Å; G207-H209 PolarHBondContact O-N 3.22Å; G207-H209 VanDerWaalsContact O-N 3.14Å; G207-A210 PolarHBondContact O-N 3.09Å | ||
| 208 | F | 69.2 | Low | 77.7 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -61.6 | -23 | -173.9 | -73.8 | -93.3 | 0 | 0 | 0 | 114.2 | V61 N64 E67 I68 L151 D153 V183 L184 A210 L211 | V61-F208 HydrophobicContact CG1-CZ 4.3Å; N64-F208 HydrophobicContact CB-CD1 4.29Å; N64-F208 HydrophobicContact CB-CD2 3.52Å; N64-F208 HydrophobicContact CB-CE1 4.34Å; N64-F208 HydrophobicContact CB-CE2 3.55Å; N64-F208 HydrophobicContact CB-CG 3.92Å; N64-F208 HydrophobicContact CB-CZ 3.97Å; E67-F208 HydrophobicContact CB-CB 3.54Å; E67-F208 HydrophobicContact CB-CD1 4.28Å; E67-F208 HydrophobicContact CB-CG 4.23Å; E67-F208 HydrophobicContact CG-CB 4Å; E67-F208 WeakPolarHBondContact OE1-CB 3.24Å; E67-F208 WeakPolarHBondContact OE2-CB 3.35Å; I68-F208 HydrophobicContact CD1-CE1 3.69Å; I68-F208 HydrophobicContact CD1-CZ 4.38Å; I68-F208 HydrophobicContact CG1-CD1 3.77Å; I68-F208 HydrophobicContact CG1-CE1 3.42Å; I68-F208 VanDerWaalsContact CG1-CE1 3.42Å; I68-F208 HydrophobicContact CG1-CZ 4.49Å; L151-F208 HydrophobicContact CD2-CE1 4.27Å; D153-F208 HydrophobicContact CB-CE2 4.26Å; D153-F208 HydrophobicContact CB-CZ 3.69Å; V183-F208 HydrophobicContact CB-CD1 4.35Å; V183-F208 HydrophobicContact CB-CD2 4.38Å; V183-F208 HydrophobicContact CB-CE1 4Å; V183-F208 HydrophobicContact CB-CE2 4.07Å; V183-F208 HydrophobicContact CB-CZ 3.87Å; V183-F208 HydrophobicContact CG1-CB 4.33Å; V183-F208 HydrophobicContact CG1-CD1 3.91Å; V183-F208 HydrophobicContact CG1-CD2 3.48Å; V183-F208 VanDerWaalsContact CG1-CD2 3.48Å; V183-F208 HydrophobicContact CG1-CE1 4Å; V183-F208 HydrophobicContact CG1-CE2 3.62Å; V183-F208 HydrophobicContact CG1-CG 3.63Å; V183-F208 HydrophobicContact CG1-CZ 3.89Å; V183-F208 HydrophobicContact CG2-CD1 4.15Å; V183-F208 HydrophobicContact CG2-CE1 3.91Å; V183-F208 HydrophobicContact CG2-CZ 4.3Å; L184-F208 HydrophobicContact CD1-CD2 4.4Å; L184-F208 HydrophobicContact CD1-CE2 3.85Å; L184-F208 HydrophobicContact CG-CD2 4.46Å; L184-F208 HydrophobicContact CG-CE2 4.12Å; F208-A210 PolarHBondContact O-N 3.01Å; F208-L211 HydrophobicContact CB-CD1 4.12Å; F208-L211 HydrophobicContact CD1-CD1 3.62Å; F208-L211 HydrophobicContact CG-CD1 4.29Å; F208-L211 VanDerWaalsContact O-CB 3.23Å; F208-L211 WeakPolarHBondContact O-CB 3.49Å; F208-L211 WeakPolarHBondContact O-CD1 3.24Å; F208-L211 WeakPolarHBondContact O-CG 3.35Å; F208-L211 PolarHBondContact O-N 3.03Å; F208-L211 VanDerWaalsContact O-N 3.13Å |
| 209 | H | 69.2 | Low | 77.2 | Confident | 152 Ų | 152 | 48.9 Ų | 48.9 | 70% | 0.704 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -58.7 | -30.6 | 173 | -65.6 | -36.2 | 0 | 0 | 0 | 113.2 | E67 G207 L211 | E67-H209 IonicContact OE1-CD2 3.98Å; E67-H209 IonicContact OE1-CE1 2.95Å; E67-H209 PolarHBondContact OE1-CE1 3.14Å; E67-H209 IonicContact OE1-CG 3.39Å; E67-H209 PolarHBondContact OE1-N 3.14Å; E67-H209 IonicContact OE1-ND1 3.01Å; E67-H209 PolarHBondContact OE1-ND1 3.45Å; E67-H209 IonicContact OE1-NE2 3.77Å; G207-H209 PolarHBondContact O-N 3.22Å; G207-H209 VanDerWaalsContact O-N 3.14Å; H209-L211 VanDerWaalsContact C-N 3.31Å; H209-L211 PolarHBondContact O-N 3.41Å |
| 210 | A | 74.6 | Confident | 76.8 | Confident | 28 Ų | 28 | 51.3 Ų | 51.3 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -80.9 | -7.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | V204 D206 G207 F208 K212 G213 | V204-A210 HydrophobicContact CG1-CB 3.78Å; D206-A210 HydrophobicContact CB-CB 3.8Å; G207-A210 PolarHBondContact O-N 3.09Å; F208-A210 PolarHBondContact O-N 3.01Å; A210-K212 PolarHBondContact O-N 3.02Å; A210-K212 VanDerWaalsContact O-N 3.1Å; A210-G213 PolarHBondContact O-N 3.49Å |
| 211 | L | 72.3 | Confident | 76.2 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.6 | -30.5 | 175 | -75.5 | 170.4 | 0 | 0 | 0 | 112.3 | F71 L151 V181 V183 V204 F208 H209 G213 I214 | F71-L211 HydrophobicContact CB-CB 3.92Å; F71-L211 HydrophobicContact CB-CD1 3.94Å; F71-L211 HydrophobicContact CB-CG 4.44Å; F71-L211 HydrophobicContact CD2-CB 3.66Å; F71-L211 HydrophobicContact CD2-CD2 4.13Å; F71-L211 HydrophobicContact CD2-CG 4.38Å; F71-L211 WeakPolarHBondContact CD2-O 3.4Å; F71-L211 HydrophobicContact CE2-CB 4.44Å; F71-L211 HydrophobicContact CE2-CD2 4.31Å; F71-L211 HydrophobicContact CG-CB 3.98Å; F71-L211 HydrophobicContact CG-CD1 4.23Å; F71-L211 HydrophobicContact CG-CD2 4.25Å; F71-L211 HydrophobicContact CG-CG 4.41Å; L151-L211 HydrophobicContact CD1-CD1 4.29Å; L151-L211 HydrophobicContact CD1-CD2 4.23Å; V181-L211 HydrophobicContact CG1-CD2 3.54Å; V183-L211 HydrophobicContact CG2-CD1 4.48Å; V183-L211 HydrophobicContact CG2-CD2 4.15Å; V204-L211 HydrophobicContact CG1-CD2 4.46Å; V204-L211 HydrophobicContact CG1-CG 4.42Å; V204-L211 HydrophobicContact CG2-CD2 3.86Å; F208-L211 HydrophobicContact CB-CD1 4.12Å; F208-L211 HydrophobicContact CD1-CD1 3.62Å; F208-L211 HydrophobicContact CG-CD1 4.29Å; F208-L211 VanDerWaalsContact O-CB 3.23Å; F208-L211 WeakPolarHBondContact O-CB 3.49Å; F208-L211 WeakPolarHBondContact O-CD1 3.24Å; F208-L211 WeakPolarHBondContact O-CG 3.35Å; F208-L211 PolarHBondContact O-N 3.03Å; F208-L211 VanDerWaalsContact O-N 3.13Å; H209-L211 VanDerWaalsContact C-N 3.31Å; H209-L211 PolarHBondContact O-N 3.41Å; L211-G213 VanDerWaalsContact C-N 3.29Å; L211-G213 PolarHBondContact O-N 2.83Å; L211-I214 PolarHBondContact O-N 2.8Å |
| 212 | K | 70.8 | Confident | 75.2 | Confident | 137 Ų | 137 | 55.6 Ų | 55.6 | 60% | 0.596 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.4 | -35.8 | 175.8 | -64.8 | -177.3 | -178.7 | 176.6 | 0 | 113 | A210 I214 | A210-K212 PolarHBondContact O-N 3.02Å; A210-K212 VanDerWaalsContact O-N 3.1Å; K212-I214 VanDerWaalsContact C-N 3.33Å |
| 213 | G | 72.1 | Confident | 74.4 | Confident | 57 Ų | 57 | 55.5 Ų | 55.5 | 59% | 0.588 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -77.3 | -19.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A210 L211 | A210-G213 PolarHBondContact O-N 3.49Å; L211-G213 VanDerWaalsContact C-N 3.29Å; L211-G213 PolarHBondContact O-N 2.83Å |
| 214 | I | 77.9 | Confident | 73.7 | Confident | 24 Ų | 24 | 52.9 Ų | 52.9 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -89.3 | -16.3 | -174.4 | -64.6 | 173.3 | 0 | 0 | 0 | 111.8 | F202 V204 L211 K212 N216 S217 I218 | F202-I214 HydrophobicContact CB-CG2 3.76Å; F202-I214 HydrophobicContact CD1-CG2 3.83Å; F202-I214 HydrophobicContact CG-CG2 3.89Å; V204-I214 HydrophobicContact CB-CD1 3.98Å; V204-I214 HydrophobicContact CG1-CD1 3.85Å; V204-I214 HydrophobicContact CG2-CD1 3.27Å; L211-I214 PolarHBondContact O-N 2.8Å; K212-I214 VanDerWaalsContact C-N 3.33Å; I214-N216 VanDerWaalsContact C-N 3.27Å; I214-N216 PolarHBondContact O-N 3.3Å; I214-S217 CarbonylContact O-C 3.52Å; I214-S217 WeakPolarHBondContact O-CA 3.5Å; I214-S217 WeakPolarHBondContact O-CB 3.26Å; I214-S217 PolarHBondContact O-N 3.23Å; I214-I218 HydrophobicContact CG2-CD1 3.77Å; I214-I218 HydrophobicContact CG2-CG1 3.89Å; I214-I218 PolarHBondContact O-N 2.81Å |
| 215 | V | 75.2 | Confident | 73 | Confident | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -50.9 | -47 | 176.8 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | F71 L75 R78 S217 I218 L219 | F71-V215 HydrophobicContact CD2-CG2 4.05Å; F71-V215 HydrophobicContact CE2-CG2 3.96Å; L75-V215 HydrophobicContact CB-CG1 4.5Å; L75-V215 HydrophobicContact CD1-CG1 4.25Å; L75-V215 HydrophobicContact CD1-CG2 4.43Å; L75-V215 HydrophobicContact CG-CG1 4.33Å; R78-V215 HydrophobicContact CG-CG1 4.17Å; V215-S217 VanDerWaalsContact C-N 3.34Å; V215-S217 PolarHBondContact O-N 3.29Å; V215-I218 PolarHBondContact O-N 2.63Å; V215-L219 HydrophobicContact CG1-CD1 3.78Å; V215-L219 HydrophobicContact CG1-CG 4.42Å; V215-L219 WeakPolarHBondContact O-CB 3.29Å; V215-L219 WeakPolarHBondContact O-CD1 3.48Å; V215-L219 VanDerWaalsContact O-CG 3.26Å; V215-L219 WeakPolarHBondContact O-CG 3.41Å; V215-L219 PolarHBondContact O-N 2.85Å |
| 216 | N | 75.3 | Confident | 72.8 | Confident | 86 Ų | 86 | 48.3 Ų | 48.3 | 46% | 0.46 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 178.6 | -70.1 | -10.5 | 0 | 0 | 0 | 112.7 | I214 K220 | I214-N216 VanDerWaalsContact C-N 3.27Å; I214-N216 PolarHBondContact O-N 3.3Å; N216-K220 VanDerWaalsContact O-CB 3.29Å; N216-K220 WeakPolarHBondContact O-CB 3.33Å; N216-K220 PolarHBondContact O-N 3.14Å |
| 217 | S | 77.2 | Confident | 73 | Confident | 56 Ų | 56 | 46.5 Ų | 46.5 | 39% | 0.392 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.8 | -39 | 176.4 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | I214 V215 R221 | I214-S217 CarbonylContact O-C 3.52Å; I214-S217 WeakPolarHBondContact O-CA 3.5Å; I214-S217 WeakPolarHBondContact O-CB 3.26Å; I214-S217 PolarHBondContact O-N 3.23Å; V215-S217 VanDerWaalsContact C-N 3.34Å; V215-S217 PolarHBondContact O-N 3.29Å; S217-R221 WeakPolarHBondContact O-CG 3.43Å; S217-R221 PolarHBondContact O-N 2.92Å; S217-R221 VanDerWaalsContact O-N 3.14Å |
| 218 | I | 75.4 | Confident | 73.7 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.7 | -55.2 | 173.3 | -69.4 | 165 | 0 | 0 | 0 | 108.7 | F71 L75 L149 V181 F202 I214 V215 K220 R221 S222 | F71-I218 HydrophobicContact CE2-CD1 3.92Å; F71-I218 HydrophobicContact CZ-CD1 3.56Å; L75-I218 HydrophobicContact CD1-CB 4.45Å; L75-I218 HydrophobicContact CD1-CD1 4.12Å; L75-I218 HydrophobicContact CD1-CG2 4.15Å; L149-I218 HydrophobicContact CD1-CD1 4.3Å; L149-I218 HydrophobicContact CD2-CD1 4.4Å; V181-I218 HydrophobicContact CG2-CD1 4.05Å; F202-I218 HydrophobicContact CD1-CG1 4.23Å; F202-I218 HydrophobicContact CD2-CD1 4.37Å; F202-I218 HydrophobicContact CD2-CG1 3.73Å; F202-I218 HydrophobicContact CE1-CG1 4.06Å; F202-I218 HydrophobicContact CE2-CB 4.4Å; F202-I218 HydrophobicContact CE2-CG1 3.52Å; F202-I218 HydrophobicContact CG-CG1 4.06Å; F202-I218 HydrophobicContact CZ-CB 4.31Å; F202-I218 HydrophobicContact CZ-CG1 3.71Å; I214-I218 HydrophobicContact CG2-CD1 3.77Å; I214-I218 HydrophobicContact CG2-CG1 3.89Å; I214-I218 PolarHBondContact O-N 2.81Å; V215-I218 PolarHBondContact O-N 2.63Å; I218-K220 VanDerWaalsContact C-N 3.28Å; I218-K220 PolarHBondContact O-N 3.02Å; I218-R221 PolarHBondContact O-N 3.33Å; I218-S222 WeakPolarHBondContact O-CB 3.5Å; I218-S222 PolarHBondContact O-N 3.24Å; I218-S222 PolarHBondContact O-OG 3.09Å |
| 219 | L | 74.7 | Confident | 74.6 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -50 | -48.1 | 177.9 | -74.7 | 164 | 0 | 0 | 0 | 112 | C45 R78 F79 V215 R221 C223 | C45-L219 VanDerWaalsContact SG-CD2 3.52Å; R78-L219 HydrophobicContact CB-CD1 4.21Å; F79-L219 HydrophobicContact CD1-CD2 3.94Å; F79-L219 HydrophobicContact CD2-CD2 4.21Å; F79-L219 HydrophobicContact CE1-CD2 3.31Å; F79-L219 HydrophobicContact CE2-CD2 3.53Å; F79-L219 HydrophobicContact CE2-CG 4.41Å; F79-L219 HydrophobicContact CG-CD2 4.37Å; F79-L219 HydrophobicContact CZ-CD2 3.09Å; F79-L219 HydrophobicContact CZ-CG 4.15Å; V215-L219 HydrophobicContact CG1-CD1 3.78Å; V215-L219 HydrophobicContact CG1-CG 4.42Å; V215-L219 WeakPolarHBondContact O-CB 3.29Å; V215-L219 WeakPolarHBondContact O-CD1 3.48Å; V215-L219 VanDerWaalsContact O-CG 3.26Å; V215-L219 WeakPolarHBondContact O-CG 3.41Å; V215-L219 PolarHBondContact O-N 2.85Å; L219-R221 VanDerWaalsContact C-N 3.35Å; L219-R221 PolarHBondContact O-N 3.45Å; L219-C223 WeakPolarHBondContact O-CB 3.25Å; L219-C223 PolarHBondContact O-N 2.92Å; L219-C223 PolarHBondContact O-SG 3.21Å |
| 220 | K | 73.4 | Confident | 75.5 | Confident | 133 Ų | 133 | 46.8 Ų | 46.8 | 58% | 0.578 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -64.9 | -33.5 | -179.6 | -172.6 | 174.2 | -179 | 176.9 | 0 | 113.7 | N216 I218 N247 | N216-K220 VanDerWaalsContact O-CB 3.29Å; N216-K220 WeakPolarHBondContact O-CB 3.33Å; N216-K220 PolarHBondContact O-N 3.14Å; I218-K220 VanDerWaalsContact C-N 3.28Å; I218-K220 PolarHBondContact O-N 3.02Å; K220-N247 WeakPolarHBondContact O-CB 3.46Å |
| 221 | R | 72.4 | Confident | 76.2 | Confident | 97 Ų | 97 | 47.8 Ų | 47.8 | 37% | 0.366 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -91.5 | -32.7 | -178.6 | -69.1 | -173.6 | -178 | -179.5 | -3.5 | 113 | R177 Y179 D199 F202 S217 I218 L219 | R177-R221 PolarHBondContact NH2-O 3.29Å; Y179-R221 HydrophobicContact CE1-CB 4.31Å; Y179-R221 PolarHBondContact OH-O 3.21Å; D199-R221 WeakPolarHBondContact O-CD 3.48Å; D199-R221 PolarHBondContact O-NH1 3.17Å; F202-R221 HydrophobicContact CZ-CB 4.12Å; F202-R221 HydrophobicContact CZ-CG 4.39Å; S217-R221 WeakPolarHBondContact O-CG 3.43Å; S217-R221 PolarHBondContact O-N 2.92Å; S217-R221 VanDerWaalsContact O-N 3.14Å; I218-R221 PolarHBondContact O-N 3.33Å; L219-R221 VanDerWaalsContact C-N 3.35Å; L219-R221 PolarHBondContact O-N 3.45Å |
| 222 | S | 69.1 | Low | 77 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -81.1 | -36.2 | -175.7 | 71.6 | 0 | 0 | 0 | 0 | 111.8 | I147 R177 Y179 I218 T224 | I147-S222 WeakPolarHBondContact CD1-O 3.23Å; R177-S222 PolarHBondContact NH1-O 3.48Å; Y179-S222 WeakPolarHBondContact OH-CA 3.48Å; I218-S222 WeakPolarHBondContact O-CB 3.5Å; I218-S222 PolarHBondContact O-N 3.24Å; I218-S222 PolarHBondContact O-OG 3.09Å; S222-T224 PolarHBondContact O-N 2.89Å |
| 223 | C | 72.1 | Confident | 77.9 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | trans | -82.2 | 114.2 | -179.2 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | C45 Y49 L219 E225 | C45-C223 HydrophobicContact CB-CB 3.74Å; C45-C223 WeakPolarHBondContact CB-SG 3.43Å; C45-C223 WeakPolarHBondContact SG-CB 3.34Å; C45-C223 CovalentContact SG-SG 2Å; C45-C223 PolarHBondContact SG-SG 3.34Å; Y49-C223 HydrophobicContact CE2-CB 4.36Å; L219-C223 WeakPolarHBondContact O-CB 3.25Å; L219-C223 PolarHBondContact O-N 2.92Å; L219-C223 PolarHBondContact O-SG 3.21Å; C223-E225 PolarHBondContact O-N 3.24Å | ||
| 224 | T | 70 | Confident | 78.8 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | trans | -85 | 92 | 173 | 47.6 | 0 | 0 | 0 | 0 | 110.4 | Y49 S222 N247 G248 L301 I308 | Y49-T224 WeakPolarHBondContact CE1-OG1 3.26Å; Y49-T224 WeakPolarHBondContact OH-CA 3.48Å; Y49-T224 PolarHBondContact OH-N 3.43Å; Y49-T224 PolarHBondContact OH-O 3.24Å; Y49-T224 PolarHBondContact OH-OG1 3.11Å; S222-T224 PolarHBondContact O-N 2.89Å; T224-N247 VanDerWaalsContact CA-O 3.28Å; T224-N247 WeakPolarHBondContact CA-O 3.25Å; T224-G248 WeakPolarHBondContact CG2-O 3.46Å; T224-L301 HydrophobicContact CG2-CD1 3.61Å; T224-I308 WeakPolarHBondContact O-CG2 3.47Å | ||
| 225 | E | 70.6 | Confident | 79.4 | Confident | 47 Ų | 47 | 46.3 Ų | 46.3 | 22% | 0.22 | 25% | 0.251 | C | S | . | . | trans | -116.8 | 130.1 | 176.4 | -68.4 | -172.8 | 174.8 | 0 | 0 | 110 | C45 H46 G47 C223 L227 G246 N247 | C45-E225 WeakPolarHBondContact CA-OE1 3.47Å; H46-E225 PolarHBondContact N-OE1 3.41Å; G47-E225 PolarHBondContact N-OE1 2.95Å; G47-E225 VanDerWaalsContact N-OE1 3.15Å; C223-E225 PolarHBondContact O-N 3.24Å; E225-L227 PolarHBondContact O-N 3.32Å; E225-G246 CarbonylContact O-C 3.42Å; E225-G246 WeakPolarHBondContact O-CA 3.41Å; E225-N247 PolarHBondContact O-N 2.88Å | ||
| 226 | I | 74.1 | Confident | 80.2 | Confident | 15 Ų | 15 | 47.5 Ų | 47.5 | 8% | 0.077 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 111.4 | 168.5 | -62.8 | 166.6 | 0 | 0 | 0 | 106 | V229 L244 F249 I299 Y312 | I226-V229 HydrophobicContact CG2-CG2 3.7Å; I226-L244 HydrophobicContact CG2-CD2 4.27Å; I226-F249 HydrophobicContact CG1-CE1 3.74Å; I226-F249 HydrophobicContact CG1-CZ 3.92Å; I226-I299 HydrophobicContact CD1-CB 4.19Å; I226-I299 HydrophobicContact CD1-CD1 3.45Å; I226-I299 VanDerWaalsContact CD1-CD1 3.45Å; I226-I299 HydrophobicContact CD1-CG1 3.85Å; I226-Y312 HydrophobicContact CB-CE2 3.95Å; I226-Y312 HydrophobicContact CD1-CE2 3.89Å; I226-Y312 HydrophobicContact CG2-CD2 4.5Å; I226-Y312 HydrophobicContact CG2-CE2 3.7Å; I226-Y312 PolarHBondContact O-OH 2.77Å |
| 227 | L | 78.1 | Confident | 80.9 | Confident | 105 Ų | 105 | 48.6 Ų | 48.6 | 55% | 0.55 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -46.3 | -179.4 | -65.5 | 172.5 | 0 | 0 | 0 | 110.1 | E225 R245 | E225-L227 PolarHBondContact O-N 3.32Å; L227-R245 PolarHBondContact N-O 3.48Å |
| 228 | T | 83.6 | Confident | 81.4 | Confident | 59 Ų | 59 | 51.4 Ų | 51.4 | 36% | 0.362 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 149.9 | 178.7 | 67.4 | 0 | 0 | 0 | 0 | 111.9 | R245 | T228-R245 PolarHBondContact N-O 3.43Å; T228-R245 VanDerWaalsContact N-O 3.08Å; T228-R245 PolarHBondContact O-N 2.87Å; T228-R245 WeakPolarHBondContact OG1-CB 3.4Å |
| 229 | V | 87.8 | Confident | 82.1 | Confident | 24 Ų | 24 | 56.2 Ų | 56.2 | 15% | 0.145 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.5 | 171.8 | -173.9 | 0 | 0 | 0 | 0 | 107.4 | I226 I242 L244 Y312 I314 | I226-V229 HydrophobicContact CG2-CG2 3.7Å; V229-I242 HydrophobicContact CG1-CG2 3.72Å; V229-L244 HydrophobicContact CB-CD2 4.18Å; V229-L244 HydrophobicContact CG1-CD2 3.83Å; V229-L244 HydrophobicContact CG2-CD2 3.59Å; V229-Y312 HydrophobicContact CB-CG 4.47Å; V229-Y312 HydrophobicContact CG2-CD1 3.71Å; V229-Y312 HydrophobicContact CG2-CD2 3.73Å; V229-Y312 HydrophobicContact CG2-CE1 4.06Å; V229-Y312 HydrophobicContact CG2-CE2 4.09Å; V229-Y312 HydrophobicContact CG2-CG 3.52Å; V229-I314 HydrophobicContact CG1-CD1 4.3Å |
| 230 | E | 89.2 | Confident | 82.8 | Confident | 92 Ų | 92 | 57.6 Ų | 57.6 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 135.7 | 179.9 | -66.5 | 175 | 169.6 | 0 | 0 | 109.4 | V243 R245 | E230-V243 HydrophobicContact CB-CB 4.48Å; E230-V243 PolarHBondContact N-O 3.46Å; E230-V243 PolarHBondContact O-N 2.95Å; E230-R245 IonicContact OE2-NE 3.63Å |
| 231 | P | 89.9 | Confident | 83.6 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 31% | 0.312 | 31% | 0.305 | S | S | . | . | cis | -84.6 | 156.1 | -5.2 | 35.2 | -36.8 | 0 | 0 | 0 | 113.4 | V234 | P231-V234 HydrophobicContact CB-CG1 4.41Å; P231-V234 HydrophobicContact CG-CG1 3.47Å; P231-V234 VanDerWaalsContact CG-CG1 3.47Å | ||
| 232 | S | 88.1 | Confident | 84.5 | Confident | 81 Ų | 81 | 50.8 Ų | 50.8 | 57% | 0.566 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -81 | -24.1 | 172.6 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | T315 | S232-T315 PolarHBondContact O-N 3.01Å; S232-T315 VanDerWaalsContact O-N 3.13Å |
| 233 | V | 90 | Very high | 85.6 | Confident | 71 Ų | 71 | 52.6 Ų | 52.6 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 134.6 | -179.9 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | T315 S317 | V233-T315 VanDerWaalsContact CA-O 3.31Å; V233-T315 WeakPolarHBondContact CA-O 3.29Å; V233-S317 WeakPolarHBondContact CG1-OG 3.33Å |
| 234 | V | 91.6 | Very high | 86.4 | Confident | 8 Ų | 8 | 52.3 Ų | 52.3 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 160.8 | -178 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | P231 F240 L288 I314 T315 A316 S317 | P231-V234 HydrophobicContact CB-CG1 4.41Å; P231-V234 HydrophobicContact CG-CG1 3.47Å; P231-V234 VanDerWaalsContact CG-CG1 3.47Å; V234-F240 HydrophobicContact CB-CD1 4.01Å; V234-F240 HydrophobicContact CB-CE1 3.8Å; V234-F240 HydrophobicContact CB-CE2 4.48Å; V234-F240 HydrophobicContact CB-CG 4.46Å; V234-F240 HydrophobicContact CB-CZ 4.05Å; V234-F240 HydrophobicContact CG1-CD1 3.98Å; V234-F240 HydrophobicContact CG1-CD2 3.8Å; V234-F240 HydrophobicContact CG1-CE1 3.85Å; V234-F240 HydrophobicContact CG1-CE2 3.65Å; V234-F240 HydrophobicContact CG1-CG 3.96Å; V234-F240 HydrophobicContact CG1-CZ 3.68Å; V234-F240 HydrophobicContact CG2-CD1 4.42Å; V234-F240 HydrophobicContact CG2-CE1 3.71Å; V234-F240 HydrophobicContact CG2-CZ 3.83Å; V234-L288 HydrophobicContact CG2-CD1 3.74Å; V234-I314 HydrophobicContact CG1-CG2 3.89Å; V234-I314 HydrophobicContact CG2-CG2 4Å; V234-T315 PolarHBondContact N-O 3.29Å; V234-A316 CarbonylContact O-C 2.9Å; V234-A316 WeakPolarHBondContact O-CA 3.34Å; V234-S317 PolarHBondContact O-N 2.62Å; V234-S317 PolarHBondContact O-OG 2.8Å |
| 235 | C | 90.3 | Very high | 87.3 | Confident | 29 Ų | 29 | 57.9 Ų | 57.9 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 137.7 | 179 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | E238 S317 C319 | C235-E238 HydrophobicContact CB-CB 4.23Å; C235-E238 HydrophobicContact CB-CG 4.2Å; C235-E238 VanDerWaalsContact CB-OE2 3.25Å; C235-E238 WeakPolarHBondContact CB-OE2 3.42Å; C235-S317 WeakPolarHBondContact CA-O 3.3Å; C235-C319 WeakPolarHBondContact CA-SG 3.47Å; C235-C319 HydrophobicContact CB-CB 3.61Å; C235-C319 WeakPolarHBondContact CB-SG 3.35Å; C235-C319 WeakPolarHBondContact SG-CB 3.49Å; C235-C319 CovalentContact SG-SG 2.01Å; C235-C319 PolarHBondContact SG-SG 2.85Å |
| 236 | V | 91.8 | Very high | 87.7 | Confident | 30 Ų | 30 | 55.8 Ų | 55.8 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 140.9 | 173.8 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | E238 L288 Y289 P291 A316 S317 | V236-E238 PolarHBondContact O-N 2.84Å; V236-L288 WeakPolarHBondContact CA-O 3.28Å; V236-Y289 VanDerWaalsContact CG1-C 3.46Å; V236-Y289 WeakPolarHBondContact CG1-O 3.39Å; V236-P291 HydrophobicContact CG2-CB 4.3Å; V236-A316 HydrophobicContact CG2-CB 4.03Å; V236-S317 PolarHBondContact N-O 3.02Å; V236-S317 VanDerWaalsContact N-O 3.17Å |
| 237 | N | 89.1 | Confident | 87.8 | Confident | 110 Ų | 110 | 57.2 Ų | 57.2 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 19.5 | 178.9 | -64.4 | -28.1 | 0 | 0 | 0 | 116 | L288 Y289 | N237-L288 PolarHBondContact N-O 2.98Å; N237-Y289 VanDerWaalsContact OD1-CD1 3.24Å; N237-Y289 WeakPolarHBondContact OD1-CD1 3.45Å |
| 238 | E | 87.9 | Confident | 87.6 | Confident | 115 Ų | 115 | 52.4 Ų | 52.4 | 54% | 0.537 | 29% | 0.291 | S | S | . | . | trans | -117 | 140.4 | 174.8 | -66.8 | -171.4 | 164 | 0 | 0 | 110.8 | C235 V236 | C235-E238 HydrophobicContact CB-CB 4.23Å; C235-E238 HydrophobicContact CB-CG 4.2Å; C235-E238 VanDerWaalsContact CB-OE2 3.25Å; C235-E238 WeakPolarHBondContact CB-OE2 3.42Å; V236-E238 PolarHBondContact O-N 2.84Å | ||
| 239 | S | 89.4 | Confident | 87.2 | Confident | 103 Ų | 103 | 49.6 Ų | 49.6 | 72% | 0.72 | 27% | 0.274 | S | S | * | . | trans | -80.9 | 137.3 | 171.7 | 57.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 240 | F | 89.6 | Confident | 86.3 | Confident | 31 Ų | 31 | 49.2 Ų | 49.2 | 14% | 0.136 | 27% | 0.273 | C | S | . | . | trans | -141.8 | 154.5 | 178.2 | 60.7 | -85.6 | 0 | 0 | 0 | 110.7 | V234 I242 A285 M295 | V234-F240 HydrophobicContact CB-CD1 4.01Å; V234-F240 HydrophobicContact CB-CE1 3.8Å; V234-F240 HydrophobicContact CB-CE2 4.48Å; V234-F240 HydrophobicContact CB-CG 4.46Å; V234-F240 HydrophobicContact CB-CZ 4.05Å; V234-F240 HydrophobicContact CG1-CD1 3.98Å; V234-F240 HydrophobicContact CG1-CD2 3.8Å; V234-F240 HydrophobicContact CG1-CE1 3.85Å; V234-F240 HydrophobicContact CG1-CE2 3.65Å; V234-F240 HydrophobicContact CG1-CG 3.96Å; V234-F240 HydrophobicContact CG1-CZ 3.68Å; V234-F240 HydrophobicContact CG2-CD1 4.42Å; V234-F240 HydrophobicContact CG2-CE1 3.71Å; V234-F240 HydrophobicContact CG2-CZ 3.83Å; F240-I242 HydrophobicContact CD2-CG1 3.98Å; F240-I242 HydrophobicContact CE2-CD1 4.01Å; F240-I242 HydrophobicContact CE2-CG1 3.64Å; F240-A285 HydrophobicContact CD2-CB 3.9Å; F240-A285 HydrophobicContact CE1-CB 4.41Å; F240-A285 HydrophobicContact CE2-CB 3.39Å; F240-A285 HydrophobicContact CZ-CB 3.68Å; F240-A285 PolarHBondContact O-N 2.88Å; F240-M295 HydrophobicContact CE2-CE 4.06Å; F240-M295 HydrophobicContact CZ-CE 3.76Å | ||
| 241 | D | 91.3 | Very high | 85.1 | Confident | 87 Ų | 87 | 46.3 Ų | 46.3 | 47% | 0.465 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 135.3 | 169.9 | -70.5 | -24.4 | 0 | 0 | 0 | 108.9 | P284 | D241-P284 WeakPolarHBondContact OD1-CA 3.34Å |
| 242 | I | 91.3 | Very high | 83.7 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129.4 | 172.9 | -64.6 | 162.4 | 0 | 0 | 0 | 108.3 | V229 F240 L244 F262 L282 C283 A285 M295 V297 I314 | V229-I242 HydrophobicContact CG1-CG2 3.72Å; F240-I242 HydrophobicContact CD2-CG1 3.98Å; F240-I242 HydrophobicContact CE2-CD1 4.01Å; F240-I242 HydrophobicContact CE2-CG1 3.64Å; I242-L244 HydrophobicContact CG2-CD2 4.34Å; I242-L244 HydrophobicContact CG2-CG 4.1Å; I242-F262 HydrophobicContact CD1-CD1 4.24Å; I242-F262 HydrophobicContact CD1-CE1 3.46Å; I242-F262 VanDerWaalsContact CD1-CE1 3.46Å; I242-F262 HydrophobicContact CD1-CZ 4.15Å; I242-L282 WeakPolarHBondContact O-CA 3.48Å; I242-C283 PolarHBondContact N-O 3.43Å; I242-C283 PolarHBondContact O-N 3.34Å; I242-A285 HydrophobicContact CD1-CB 3.55Å; I242-A285 HydrophobicContact CG1-CB 3.9Å; I242-M295 HydrophobicContact CD1-CE 3.73Å; I242-V297 HydrophobicContact CD1-CG2 3.95Å; I242-I314 HydrophobicContact CD1-CD1 3.69Å; I242-I314 HydrophobicContact CG1-CD1 3.94Å; I242-I314 HydrophobicContact CG2-CD1 4.5Å |
| 243 | V | 92.3 | Very high | 82.2 | Confident | 39 Ų | 39 | 47.6 Ų | 47.6 | 24% | 0.236 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 110.5 | 172.6 | -169.1 | 0 | 0 | 0 | 0 | 108.4 | E230 R245 L282 | E230-V243 HydrophobicContact CB-CB 4.48Å; E230-V243 PolarHBondContact N-O 3.46Å; E230-V243 PolarHBondContact O-N 2.95Å; V243-R245 HydrophobicContact CG1-CG 4.29Å; V243-L282 HydrophobicContact CB-CD2 4.13Å; V243-L282 HydrophobicContact CG1-CD2 4Å; V243-L282 HydrophobicContact CG2-CD2 3.63Å |
| 244 | L | 88.9 | Confident | 80.7 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 115.7 | 172.9 | -68 | 159.2 | 0 | 0 | 0 | 107.6 | I226 V229 I242 Y280 L281 I299 | I226-L244 HydrophobicContact CG2-CD2 4.27Å; V229-L244 HydrophobicContact CB-CD2 4.18Å; V229-L244 HydrophobicContact CG1-CD2 3.83Å; V229-L244 HydrophobicContact CG2-CD2 3.59Å; I242-L244 HydrophobicContact CG2-CD2 4.34Å; I242-L244 HydrophobicContact CG2-CG 4.1Å; L244-Y280 CarbonylContact O-C 3.53Å; L244-Y280 WeakPolarHBondContact O-CA 3.48Å; L244-Y280 WeakPolarHBondContact O-CB 3.43Å; L244-L281 HydrophobicContact CB-CB 4.29Å; L244-L281 HydrophobicContact CD1-CD2 3.79Å; L244-L281 PolarHBondContact N-O 3.46Å; L244-L281 PolarHBondContact O-N 2.87Å; L244-I299 HydrophobicContact CD1-CD1 3.89Å; L244-I299 HydrophobicContact CD1-CG1 3.46Å; L244-I299 VanDerWaalsContact CD1-CG1 3.46Å; L244-I299 HydrophobicContact CD2-CD1 3.87Å; L244-I299 HydrophobicContact CD2-CG1 4.28Å; L244-I299 HydrophobicContact CG-CG1 4.48Å |
| 245 | R | 87.7 | Confident | 79.6 | Confident | 120 Ų | 120 | 50.3 Ų | 50.3 | 45% | 0.453 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 138.8 | 173.1 | -64.6 | 178.6 | 175.9 | -88 | -0.2 | 109.8 | L227 T228 E230 V243 | L227-R245 PolarHBondContact N-O 3.48Å; T228-R245 PolarHBondContact N-O 3.43Å; T228-R245 VanDerWaalsContact N-O 3.08Å; T228-R245 PolarHBondContact O-N 2.87Å; T228-R245 WeakPolarHBondContact OG1-CB 3.4Å; E230-R245 IonicContact OE2-NE 3.63Å; V243-R245 HydrophobicContact CG1-CG 4.29Å |
| 246 | G | 80.5 | Confident | 78.4 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.9 | -161.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E225 F249 D279 | E225-G246 CarbonylContact O-C 3.42Å; E225-G246 WeakPolarHBondContact O-CA 3.41Å; G246-F249 VanDerWaalsContact CA-CE2 3.46Å; G246-F249 VanDerWaalsContact N-CE2 3.31Å; G246-D279 PolarHBondContact N-O 3.1Å; G246-D279 CarbonylContact O-C 3.49Å; G246-D279 VanDerWaalsContact O-CA 3.23Å; G246-D279 WeakPolarHBondContact O-CA 3.16Å |
| 247 | N | 76.4 | Confident | 77.5 | Confident | 45 Ų | 45 | 55.1 Ų | 55.1 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -126.9 | 152.9 | 176.9 | -64.3 | -48.7 | 0 | 0 | 0 | 110.4 | K220 T224 E225 F249 N278 | K220-N247 WeakPolarHBondContact O-CB 3.46Å; T224-N247 VanDerWaalsContact CA-O 3.28Å; T224-N247 WeakPolarHBondContact CA-O 3.25Å; E225-N247 PolarHBondContact O-N 2.88Å; N247-F249 PolarHBondContact O-N 3.23Å; N247-N278 CarbonylContact C-O 3.59Å; N247-N278 WeakPolarHBondContact CA-O 3.15Å |
| 248 | G | 73.2 | Confident | 77.3 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | trans | 76.2 | 15.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R177 T224 S250 N278 | R177-G248 PolarHBondContact NH2-O 2.92Å; R177-G248 VanDerWaalsContact NH2-O 3.09Å; T224-G248 WeakPolarHBondContact CG2-O 3.46Å; G248-S250 VanDerWaalsContact C-N 3.29Å; G248-S250 PolarHBondContact O-N 3.23Å; G248-N278 PolarHBondContact N-O 3.06Å; G248-N278 VanDerWaalsContact N-O 3.07Å | ||
| 249 | F | 75.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -70.6 | -19.8 | -177.6 | -58.5 | -51.9 | 0 | 0 | 0 | 114.7 | I226 G246 N247 R277 L281 I308 | I226-F249 HydrophobicContact CG1-CE1 3.74Å; I226-F249 HydrophobicContact CG1-CZ 3.92Å; G246-F249 VanDerWaalsContact CA-CE2 3.46Å; G246-F249 VanDerWaalsContact N-CE2 3.31Å; N247-F249 PolarHBondContact O-N 3.23Å; F249-R277 WeakPolarHBondContact CB-O 3.28Å; F249-L281 HydrophobicContact CD2-CB 4.27Å; F249-L281 HydrophobicContact CG-CB 4.48Å; F249-I308 HydrophobicContact CD1-CD1 4.48Å | ||
| 250 | S | 68.6 | Low | 77.4 | Confident | 17 Ų | 17 | 41 Ų | 41 | 12% | 0.119 | 22% | 0.216 | C | C | . | . | trans | -79.5 | 133.7 | 173.1 | 80.4 | 0 | 0 | 0 | 0 | 110.3 | G248 N278 | G248-S250 VanDerWaalsContact C-N 3.29Å; G248-S250 PolarHBondContact O-N 3.23Å; S250-N278 VanDerWaalsContact CB-OD1 3.3Å; S250-N278 WeakPolarHBondContact CB-OD1 3.31Å; S250-N278 PolarHBondContact N-OD1 3.31Å; S250-N278 PolarHBondContact OG-ND2 2.68Å; S250-N278 PolarHBondContact OG-OD1 3.35Å | ||
| 251 | I | 64.2 | Low | 77.4 | Confident | 31 Ų | 31 | 39.8 Ų | 39.8 | 16% | 0.159 | 21% | 0.21 | C | C | . | . | trans | -126 | 124.4 | -175.9 | -51.5 | 160.8 | 0 | 0 | 0 | 107.1 | R177 V258 L301 | R177-I251 HydrophobicContact CG-CG2 4.48Å; I251-V258 HydrophobicContact CD1-CG2 3.73Å; I251-L301 VanDerWaalsContact CD1-CA 3.49Å; I251-L301 HydrophobicContact CD1-CB 3.26Å; I251-L301 HydrophobicContact CD1-CD1 4.16Å; I251-L301 HydrophobicContact CD1-CD2 3.81Å; I251-L301 HydrophobicContact CD1-CG 3.84Å; I251-L301 WeakPolarHBondContact CD1-O 3.4Å; I251-L301 HydrophobicContact CG1-CB 4.18Å; I251-L301 HydrophobicContact CG1-CD1 4.25Å; I251-L301 HydrophobicContact CG1-CD2 4.39Å; I251-L301 HydrophobicContact CG1-CG 4.44Å | ||
| 252 | G | 60.8 | Low | 77.5 | Confident | 15 Ų | 15 | 35.6 Ų | 35.6 | 16% | 0.155 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | -153.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D196 | D196-G252 VanDerWaalsContact CB-CA 3.49Å; D196-G252 CarbonylContact O-C 2.81Å; D196-G252 VanDerWaalsContact O-CA 3.22Å; D196-G252 WeakPolarHBondContact O-CA 3.48Å; D196-G252 PolarHBondContact OD2-N 2.93Å |
| 253 | Q | 55.2 | Low | 77.5 | Confident | 140 Ų | 140 | 37.8 Ų | 37.8 | 65% | 0.654 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -10.6 | 179.2 | -60.3 | -178.1 | -1.9 | 0 | 0 | 112.5 | D196 | D196-Q253 WeakPolarHBondContact O-CG 3.26Å; D196-Q253 PolarHBondContact O-N 3.01Å; D196-Q253 VanDerWaalsContact O-N 3.12Å |
| 254 | S | 59 | Low | 77.5 | Confident | 65 Ų | 65 | 36.7 Ų | 36.7 | 46% | 0.455 | 19% | 0.193 | S | C | . | . | trans | -140.7 | 128.1 | -177.1 | 71.2 | 0 | 0 | 0 | 0 | 112.3 | E256 | S254-E256 PolarHBondContact O-N 2.76Å; S254-E256 VanDerWaalsContact O-N 3.11Å | ||
| 255 | N | 68.7 | Low | 77.4 | Confident | 72 Ų | 72 | 41.9 Ų | 41.9 | 39% | 0.385 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -76.1 | 9.4 | 175.8 | -62.6 | -28.1 | 0 | 0 | 0 | 113.5 | G257 V258 V276 | N255-G257 PolarHBondContact O-N 2.9Å; N255-V258 PolarHBondContact O-N 3.22Å; N255-V276 HydrophobicContact CB-CB 3.97Å; N255-V276 HydrophobicContact CB-CG1 4.28Å; N255-V276 HydrophobicContact CB-CG2 4.06Å |
| 256 | E | 65.3 | Low | 77.3 | Confident | 144 Ų | 144 | 43.6 Ų | 43.6 | 67% | 0.673 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -66.3 | -19.6 | -175.4 | -65.5 | -173.8 | 177 | 0 | 0 | 113.5 | S254 V258 N303 | S254-E256 PolarHBondContact O-N 2.76Å; S254-E256 VanDerWaalsContact O-N 3.11Å; E256-V258 VanDerWaalsContact C-N 3.34Å; E256-N303 PolarHBondContact O-OD1 3.22Å |
| 257 | G | 71.9 | Confident | 77.8 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -75 | -16.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N255 L301 N303 | N255-G257 PolarHBondContact O-N 2.9Å; G257-L301 CarbonylContact C-O 3.5Å; G257-L301 CarbonylContact O-C 3.49Å; G257-L301 VanDerWaalsContact O-C 3.28Å; G257-L301 VanDerWaalsContact O-O 3.08Å; G257-N303 VanDerWaalsContact CA-OD1 3.23Å; G257-N303 WeakPolarHBondContact CA-OD1 3.37Å; G257-N303 PolarHBondContact O-N 3.41Å; G257-N303 PolarHBondContact O-OD1 2.8Å |
| 258 | V | 84.8 | Confident | 78.4 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | trans | -89.1 | 126.6 | -168.4 | -170.2 | 0 | 0 | 0 | 0 | 111.1 | I251 N255 E256 P273 V276 L281 S300 L301 | I251-V258 HydrophobicContact CD1-CG2 3.73Å; N255-V258 PolarHBondContact O-N 3.22Å; E256-V258 VanDerWaalsContact C-N 3.34Å; V258-P273 HydrophobicContact CB-CG 4.01Å; V258-P273 HydrophobicContact CG1-CG 4.08Å; V258-P273 WeakPolarHBondContact O-CD 3.38Å; V258-V276 HydrophobicContact CB-CG2 4.42Å; V258-V276 HydrophobicContact CG2-CG1 4.44Å; V258-V276 HydrophobicContact CG2-CG2 4.49Å; V258-L281 HydrophobicContact CB-CD1 4.49Å; V258-L281 HydrophobicContact CG1-CD1 3.38Å; V258-S300 WeakPolarHBondContact CA-O 3.16Å; V258-L301 HydrophobicContact CG1-CD2 3.99Å; V258-L301 HydrophobicContact CG2-CD2 4.07Å | ||
| 259 | I | 88.5 | Confident | 79.3 | Confident | 32 Ų | 32 | 54.9 Ų | 54.9 | 16% | 0.164 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130.3 | -178.9 | -58.3 | -178.6 | 0 | 0 | 0 | 109 | N270 S300 N303 | I259-N270 HydrophobicContact CG2-CB 3.82Å; I259-S300 PolarHBondContact N-O 2.96Å; I259-S300 PolarHBondContact O-N 3.21Å; I259-N303 HydrophobicContact CD1-CB 4.47Å |
| 260 | C | 90.4 | Very high | 80 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119 | 167.4 | -72.8 | 0 | 0 | 0 | 0 | 109.3 | F262 N270 N271 C283 | C260-F262 HydrophobicContact CB-CE1 4.34Å; C260-F262 HydrophobicContact CB-CE2 3.97Å; C260-F262 HydrophobicContact CB-CZ 3.71Å; C260-N270 WeakPolarHBondContact O-CA 3.36Å; C260-N271 PolarHBondContact N-O 2.9Å; C260-N271 PolarHBondContact O-N 3.43Å; C260-C283 HydrophobicContact CB-CB 3.66Å; C260-C283 WeakPolarHBondContact CB-SG 3.47Å; C260-C283 WeakPolarHBondContact SG-CB 3.47Å; C260-C283 CovalentContact SG-SG 2Å; C260-C283 PolarHBondContact SG-SG 3.03Å |
| 261 | S | 91.6 | Very high | 81 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.028 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 122.8 | -180 | -165.3 | 0 | 0 | 0 | 0 | 108.7 | T268 I269 N270 L298 | S261-T268 WeakPolarHBondContact OG-CG2 3.38Å; S261-I269 WeakPolarHBondContact CA-O 3.45Å; S261-N270 WeakPolarHBondContact CA-OD1 3.37Å; S261-N270 WeakPolarHBondContact CB-OD1 3.34Å; S261-N270 PolarHBondContact OG-OD1 3.26Å; S261-L298 PolarHBondContact N-O 3.32Å; S261-L298 PolarHBondContact O-N 3.38Å |
| 262 | F | 92.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.8 | -178.6 | -55.3 | -68 | 0 | 0 | 0 | 109 | I242 C260 T268 I269 N271 C283 P284 A285 P286 M295 D296 V297 | I242-F262 HydrophobicContact CD1-CD1 4.24Å; I242-F262 HydrophobicContact CD1-CE1 3.46Å; I242-F262 VanDerWaalsContact CD1-CE1 3.46Å; I242-F262 HydrophobicContact CD1-CZ 4.15Å; C260-F262 HydrophobicContact CB-CE1 4.34Å; C260-F262 HydrophobicContact CB-CE2 3.97Å; C260-F262 HydrophobicContact CB-CZ 3.71Å; F262-T268 CarbonylContact O-C 3.57Å; F262-T268 VanDerWaalsContact O-CA 3.31Å; F262-T268 WeakPolarHBondContact O-CA 3.27Å; F262-I269 HydrophobicContact CB-CB 4.45Å; F262-I269 PolarHBondContact N-O 3.14Å; F262-I269 PolarHBondContact O-N 3.44Å; F262-N271 HydrophobicContact CE2-CB 4.03Å; F262-C283 HydrophobicContact CZ-CB 4.11Å; F262-P284 WeakPolarHBondContact CE2-O 3.44Å; F262-A285 HydrophobicContact CE1-CB 4.44Å; F262-A285 HydrophobicContact CZ-CB 4.31Å; F262-P286 HydrophobicContact CB-CG 4.14Å; F262-P286 HydrophobicContact CD2-CG 4.32Å; F262-P286 HydrophobicContact CG-CG 4.28Å; F262-M295 HydrophobicContact CB-CG 4.3Å; F262-M295 HydrophobicContact CB-SD 4Å; F262-M295 HydrophobicContact CD1-CE 4.34Å; F262-M295 HydrophobicContact CD1-SD 3.88Å; F262-M295 HydrophobicContact CG-SD 4.15Å; F262-D296 CarbonylContact C-O 3.56Å; F262-D296 WeakPolarHBondContact CA-O 2.89Å; F262-V297 HydrophobicContact CD1-CG1 4.21Å; F262-V297 HydrophobicContact CD1-CG2 4.12Å; F262-V297 HydrophobicContact CE1-CG1 3.91Å; F262-V297 HydrophobicContact CE1-CG2 4.27Å |
| 263 | I | 91.6 | Very high | 83.6 | Confident | 46 Ų | 46 | 67 Ų | 67 | 24% | 0.236 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 114 | 174.1 | -55.4 | 170.8 | 0 | 0 | 0 | 107.7 | Q267 T268 M295 D296 L298 | I263-Q267 WeakPolarHBondContact CA-O 3.48Å; I263-T268 HydrophobicContact CG1-CG2 4.34Å; I263-M295 WeakPolarHBondContact O-CA 3.08Å; I263-D296 HydrophobicContact CB-CB 4.05Å; I263-D296 PolarHBondContact N-O 2.91Å; I263-D296 PolarHBondContact O-N 2.97Å; I263-L298 HydrophobicContact CD1-CD1 3.57Å; I263-L298 HydrophobicContact CG1-CD1 4.36Å |
| 264 | V | 91.3 | Very high | 85.2 | Confident | 16 Ų | 16 | 64.8 Ų | 64.8 | 10% | 0.097 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 121.1 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | D266 Q267 P286 L288 Q293 M295 | V264-D266 VanDerWaalsContact C-N 3.29Å; V264-D266 PolarHBondContact O-N 3.29Å; V264-Q267 PolarHBondContact N-O 2.87Å; V264-Q267 WeakPolarHBondContact O-CB 3.49Å; V264-Q267 PolarHBondContact O-N 3.35Å; V264-P286 HydrophobicContact CG2-CG 4.29Å; V264-L288 HydrophobicContact CG1-CD2 3.95Å; V264-L288 HydrophobicContact CG2-CD2 4.16Å; V264-Q293 VanDerWaalsContact CG1-NE2 3.27Å; V264-M295 HydrophobicContact CG2-CB 3.95Å; V264-M295 HydrophobicContact CG2-CG 3.59Å; V264-M295 HydrophobicContact CG2-SD 3.89Å |
| 265 | N | 87.5 | Confident | 86.6 | Confident | 110 Ų | 110 | 63.9 Ų | 63.9 | 59% | 0.588 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 48 | -178 | -58 | -15.7 | 0 | 0 | 0 | 112.8 | Q267 Q293 | N265-Q267 PolarHBondContact O-N 3.45Å; N265-Q267 VanDerWaalsContact O-N 3.12Å; N265-Q293 PolarHBondContact ND2-NE2 2.8Å; N265-Q293 PolarHBondContact OD1-NE2 3.41Å |
| 266 | D | 86.1 | Confident | 87.4 | Confident | 157 Ų | 157 | 61.2 Ų | 61.2 | 84% | 0.84 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 9 | -176.2 | -57.7 | -40.9 | 0 | 0 | 0 | 116.2 | V264 | V264-D266 VanDerWaalsContact C-N 3.29Å; V264-D266 PolarHBondContact O-N 3.29Å |
| 267 | Q | 89.9 | Confident | 88.3 | Confident | 143 Ų | 143 | 61.3 Ų | 61.3 | 67% | 0.668 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 129.5 | 172.1 | -63.8 | -171.6 | -0.4 | 0 | 0 | 111.2 | I263 V264 N265 | I263-Q267 WeakPolarHBondContact CA-O 3.48Å; V264-Q267 PolarHBondContact N-O 2.87Å; V264-Q267 WeakPolarHBondContact O-CB 3.49Å; V264-Q267 PolarHBondContact O-N 3.35Å; N265-Q267 PolarHBondContact O-N 3.45Å; N265-Q267 VanDerWaalsContact O-N 3.12Å |
| 268 | T | 90.6 | Very high | 88.6 | Confident | 84 Ų | 84 | 62.9 Ų | 62.9 | 52% | 0.515 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121.5 | 177.9 | -48.9 | 0 | 0 | 0 | 0 | 111.3 | S261 F262 I263 | S261-T268 WeakPolarHBondContact OG-CG2 3.38Å; F262-T268 CarbonylContact O-C 3.57Å; F262-T268 VanDerWaalsContact O-CA 3.31Å; F262-T268 WeakPolarHBondContact O-CA 3.27Å; I263-T268 HydrophobicContact CG1-CG2 4.34Å |
| 269 | I | 90.6 | Very high | 88.5 | Confident | 61 Ų | 61 | 67 Ų | 67 | 31% | 0.313 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123 | 178.6 | -57.4 | 169.3 | 0 | 0 | 0 | 108.3 | S261 F262 P286 | S261-I269 WeakPolarHBondContact CA-O 3.45Å; F262-I269 HydrophobicContact CB-CB 4.45Å; F262-I269 PolarHBondContact N-O 3.14Å; F262-I269 PolarHBondContact O-N 3.44Å; I269-P286 HydrophobicContact CD1-CB 4.08Å; I269-P286 HydrophobicContact CD1-CG 4.11Å |
| 270 | N | 91.2 | Very high | 88.4 | Confident | 98 Ų | 98 | 68.5 Ų | 68.5 | 52% | 0.524 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 116.4 | -178.1 | -66.6 | -33.1 | 0 | 0 | 0 | 110.4 | I259 C260 S261 | I259-N270 HydrophobicContact CG2-CB 3.82Å; C260-N270 WeakPolarHBondContact O-CA 3.36Å; S261-N270 WeakPolarHBondContact CA-OD1 3.37Å; S261-N270 WeakPolarHBondContact CB-OD1 3.34Å; S261-N270 PolarHBondContact OG-OD1 3.26Å |
| 271 | N | 90.4 | Very high | 88.3 | Confident | 49 Ų | 49 | 68.6 Ų | 68.6 | 26% | 0.262 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 150.5 | 175.3 | -65.4 | -19.7 | 0 | 0 | 0 | 110.9 | C260 F262 P284 | C260-N271 PolarHBondContact N-O 2.9Å; C260-N271 PolarHBondContact O-N 3.43Å; F262-N271 HydrophobicContact CE2-CB 4.03Å; N271-P284 HydrophobicContact CB-CG 4.41Å; N271-P284 PolarHBondContact ND2-O 3.13Å |
| 272 | K | 89.7 | Confident | 88.3 | Confident | 146 Ų | 146 | 70.3 Ų | 70.3 | 64% | 0.635 | 36% | 0.358 | S | S | * | . | trans | -82.2 | 144.4 | 170.9 | -69.8 | -170.4 | 176.4 | -171.4 | 0 | 110.4 | P284 | K272-P284 WeakPolarHBondContact O-CD 3.29Š| ||
| 273 | P | 90 | Very high | 88.4 | Confident | 25 Ų | 25 | 70.3 Ų | 70.3 | 16% | 0.162 | 36% | 0.358 | C | S | . | . | trans | -66.7 | 143.6 | 175.6 | 27.9 | -34.9 | 0 | 0 | 0 | 111.8 | V258 V276 L281 L282 C283 | V258-P273 HydrophobicContact CB-CG 4.01Å; V258-P273 HydrophobicContact CG1-CG 4.08Å; V258-P273 WeakPolarHBondContact O-CD 3.38Å; P273-V276 HydrophobicContact CB-CG2 3.71Å; P273-V276 HydrophobicContact CG-CG2 3.34Å; P273-L281 HydrophobicContact CB-CD1 4.12Å; P273-L281 HydrophobicContact CB-CD2 3.78Å; P273-L281 HydrophobicContact CB-CG 3.93Å; P273-L281 HydrophobicContact CG-CD1 4.37Å; P273-L282 CarbonylContact C-O 3.58Å; P273-L282 VanDerWaalsContact CA-O 3.27Å; P273-L282 WeakPolarHBondContact CA-O 3.43Å; P273-L282 WeakPolarHBondContact CB-O 3.4Å; P273-C283 VanDerWaalsContact CA-SG 3.6Å | ||
| 274 | T | 88.8 | Confident | 88.4 | Confident | 93 Ų | 93 | 70.1 Ų | 70.1 | 57% | 0.571 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -74.5 | -35 | 173.8 | -50.2 | 0 | 0 | 0 | 0 | 110.9 | L282 | T274-L282 PolarHBondContact N-O 3.28Š|
| 275 | T | 87.3 | Confident | 88.5 | Confident | 46 Ų | 46 | 70 Ų | 70 | 28% | 0.282 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 132.2 | 179 | -63.7 | 0 | 0 | 0 | 0 | 109.7 | R277 Y280 L281 L282 | T275-R277 HydrophobicContact CG2-CG 4.1Å; T275-Y280 HydrophobicContact CG2-CE2 4.14Å; T275-L281 WeakPolarHBondContact O-CA 3.46Å; T275-L282 PolarHBondContact O-N 2.92Å |
| 276 | V | 86.2 | Confident | 88.7 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 114.6 | 175 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | N255 V258 P273 L281 | N255-V276 HydrophobicContact CB-CB 3.97Å; N255-V276 HydrophobicContact CB-CG1 4.28Å; N255-V276 HydrophobicContact CB-CG2 4.06Å; V258-V276 HydrophobicContact CB-CG2 4.42Å; V258-V276 HydrophobicContact CG2-CG1 4.44Å; V258-V276 HydrophobicContact CG2-CG2 4.49Å; P273-V276 HydrophobicContact CB-CG2 3.71Å; P273-V276 HydrophobicContact CG-CG2 3.34Å; V276-L281 HydrophobicContact CG1-CD1 4.4Å; V276-L281 HydrophobicContact CG2-CD1 3.91Å; V276-L281 HydrophobicContact CG2-CG 4.25Å |
| 277 | R | 83.6 | Confident | 88.9 | Confident | 146 Ų | 146 | 60.7 Ų | 60.7 | 55% | 0.551 | 32% | 0.315 | S | S | * | . | trans | -115.5 | 171.6 | 167.4 | -62 | -63.3 | -173.7 | 163.5 | -2.2 | 108.7 | F249 T275 D279 Y280 | F249-R277 WeakPolarHBondContact CB-O 3.28Å; T275-R277 HydrophobicContact CG2-CG 4.1Å; R277-D279 VanDerWaalsContact C-N 3.29Å; R277-D279 WeakPolarHBondContact CB-OD1 3.2Å; R277-Y280 CarbonylContact C-O 3.28Å; R277-Y280 WeakPolarHBondContact CA-O 3.38Å; R277-Y280 HydrophobicContact CB-CD1 4.02Å; R277-Y280 HydrophobicContact CB-CE1 3.9Å; R277-Y280 HydrophobicContact CB-CG 4.47Å; R277-Y280 WeakPolarHBondContact CB-O 3.34Å; R277-Y280 HydrophobicContact CG-CD1 4.21Å; R277-Y280 HydrophobicContact CG-CE1 3.59Å; R277-Y280 HydrophobicContact CG-CE2 4.13Å; R277-Y280 PolarHBondContact N-O 3.28Å; R277-Y280 VanDerWaalsContact O-O 3.13Å | ||
| 278 | N | 77.7 | Confident | 89 | Confident | 48 Ų | 48 | 53.9 Ų | 53.9 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -70.1 | -29.9 | 178.5 | -107.3 | -26.8 | 0 | 0 | 0 | 113.1 | N247 G248 S250 | N247-N278 CarbonylContact C-O 3.59Å; N247-N278 WeakPolarHBondContact CA-O 3.15Å; G248-N278 PolarHBondContact N-O 3.06Å; G248-N278 VanDerWaalsContact N-O 3.07Å; S250-N278 VanDerWaalsContact CB-OD1 3.3Å; S250-N278 WeakPolarHBondContact CB-OD1 3.31Å; S250-N278 PolarHBondContact N-OD1 3.31Å; S250-N278 PolarHBondContact OG-ND2 2.68Å; S250-N278 PolarHBondContact OG-OD1 3.35Å |
| 279 | D | 82.8 | Confident | 88.9 | Confident | 86 Ų | 86 | 56.9 Ų | 56.9 | 46% | 0.46 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -102.1 | -24.8 | -172.8 | 60 | -38.7 | 0 | 0 | 0 | 113.7 | G246 R277 | G246-D279 PolarHBondContact N-O 3.1Å; G246-D279 CarbonylContact O-C 3.49Å; G246-D279 VanDerWaalsContact O-CA 3.23Å; G246-D279 WeakPolarHBondContact O-CA 3.16Å; R277-D279 VanDerWaalsContact C-N 3.29Å; R277-D279 WeakPolarHBondContact CB-OD1 3.2Å |
| 280 | Y | 87.1 | Confident | 88.9 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 26% | 0.255 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 158.5 | 174 | 73 | -87.8 | 0 | 0 | 0 | 113.3 | L244 T275 R277 L282 | L244-Y280 CarbonylContact O-C 3.53Å; L244-Y280 WeakPolarHBondContact O-CA 3.48Å; L244-Y280 WeakPolarHBondContact O-CB 3.43Å; T275-Y280 HydrophobicContact CG2-CE2 4.14Å; R277-Y280 CarbonylContact C-O 3.28Å; R277-Y280 WeakPolarHBondContact CA-O 3.38Å; R277-Y280 HydrophobicContact CB-CD1 4.02Å; R277-Y280 HydrophobicContact CB-CE1 3.9Å; R277-Y280 HydrophobicContact CB-CG 4.47Å; R277-Y280 WeakPolarHBondContact CB-O 3.34Å; R277-Y280 HydrophobicContact CG-CD1 4.21Å; R277-Y280 HydrophobicContact CG-CE1 3.59Å; R277-Y280 HydrophobicContact CG-CE2 4.13Å; R277-Y280 PolarHBondContact N-O 3.28Å; R277-Y280 VanDerWaalsContact O-O 3.13Å; Y280-L282 HydrophobicContact CD2-CD2 4.26Å; Y280-L282 HydrophobicContact CD2-CG 3.99Å; Y280-L282 HydrophobicContact CE2-CD1 4.05Å; Y280-L282 HydrophobicContact CE2-CD2 4.48Å; Y280-L282 HydrophobicContact CE2-CG 3.9Å |
| 281 | L | 88.9 | Confident | 88.7 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 136.2 | 174.9 | -176.7 | 154.8 | 0 | 0 | 0 | 109.6 | L244 F249 V258 P273 T275 V276 C283 | L244-L281 HydrophobicContact CB-CB 4.29Å; L244-L281 HydrophobicContact CD1-CD2 3.79Å; L244-L281 PolarHBondContact N-O 3.46Å; L244-L281 PolarHBondContact O-N 2.87Å; F249-L281 HydrophobicContact CD2-CB 4.27Å; F249-L281 HydrophobicContact CG-CB 4.48Å; V258-L281 HydrophobicContact CB-CD1 4.49Å; V258-L281 HydrophobicContact CG1-CD1 3.38Å; P273-L281 HydrophobicContact CB-CD1 4.12Å; P273-L281 HydrophobicContact CB-CD2 3.78Å; P273-L281 HydrophobicContact CB-CG 3.93Å; P273-L281 HydrophobicContact CG-CD1 4.37Å; T275-L281 WeakPolarHBondContact O-CA 3.46Å; V276-L281 HydrophobicContact CG1-CD1 4.4Å; V276-L281 HydrophobicContact CG2-CD1 3.91Å; V276-L281 HydrophobicContact CG2-CG 4.25Å; L281-C283 HydrophobicContact CD2-CB 3.98Å; L281-C283 WeakPolarHBondContact CD2-SG 3.22Å |
| 282 | L | 91.9 | Very high | 88.5 | Confident | 40 Ų | 40 | 58.6 Ų | 58.6 | 21% | 0.209 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.5 | 177.5 | -63.8 | 178.6 | 0 | 0 | 0 | 109.6 | I242 V243 P273 T274 T275 Y280 | I242-L282 WeakPolarHBondContact O-CA 3.48Å; V243-L282 HydrophobicContact CB-CD2 4.13Å; V243-L282 HydrophobicContact CG1-CD2 4Å; V243-L282 HydrophobicContact CG2-CD2 3.63Å; P273-L282 CarbonylContact C-O 3.58Å; P273-L282 VanDerWaalsContact CA-O 3.27Å; P273-L282 WeakPolarHBondContact CA-O 3.43Å; P273-L282 WeakPolarHBondContact CB-O 3.4Å; T274-L282 PolarHBondContact N-O 3.28Å; T275-L282 PolarHBondContact O-N 2.92Å; Y280-L282 HydrophobicContact CD2-CD2 4.26Å; Y280-L282 HydrophobicContact CD2-CG 3.99Å; Y280-L282 HydrophobicContact CE2-CD1 4.05Å; Y280-L282 HydrophobicContact CE2-CD2 4.48Å; Y280-L282 HydrophobicContact CE2-CG 3.9Å |
| 283 | C | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126 | 179.1 | -94 | 0 | 0 | 0 | 0 | 112.4 | I242 C260 F262 P273 L281 A285 | I242-C283 PolarHBondContact N-O 3.43Å; I242-C283 PolarHBondContact O-N 3.34Å; C260-C283 HydrophobicContact CB-CB 3.66Å; C260-C283 WeakPolarHBondContact CB-SG 3.47Å; C260-C283 WeakPolarHBondContact SG-CB 3.47Å; C260-C283 CovalentContact SG-SG 2Å; C260-C283 PolarHBondContact SG-SG 3.03Å; F262-C283 HydrophobicContact CZ-CB 4.11Å; P273-C283 VanDerWaalsContact CA-SG 3.6Å; L281-C283 HydrophobicContact CD2-CB 3.98Å; L281-C283 WeakPolarHBondContact CD2-SG 3.22Å; C283-A285 PolarHBondContact O-N 3.45Å |
| 284 | P | 93.3 | Very high | 88.6 | Confident | 43 Ų | 43 | 54.9 Ų | 54.9 | 28% | 0.279 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 118.8 | 176.4 | 29.5 | -31.6 | 0 | 0 | 0 | 109.1 | D241 F262 N271 K272 | D241-P284 WeakPolarHBondContact OD1-CA 3.34Å; F262-P284 WeakPolarHBondContact CE2-O 3.44Å; N271-P284 HydrophobicContact CB-CG 4.41Å; N271-P284 PolarHBondContact ND2-O 3.13Å; K272-P284 WeakPolarHBondContact O-CD 3.29Å |
| 285 | A | 92.2 | Very high | 88.8 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 11% | 0.107 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -93 | 151.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F240 I242 F262 C283 M295 | F240-A285 HydrophobicContact CD2-CB 3.9Å; F240-A285 HydrophobicContact CE1-CB 4.41Å; F240-A285 HydrophobicContact CE2-CB 3.39Å; F240-A285 HydrophobicContact CZ-CB 3.68Å; F240-A285 PolarHBondContact O-N 2.88Å; I242-A285 HydrophobicContact CD1-CB 3.55Å; I242-A285 HydrophobicContact CG1-CB 3.9Å; F262-A285 HydrophobicContact CE1-CB 4.44Å; F262-A285 HydrophobicContact CZ-CB 4.31Å; C283-A285 PolarHBondContact O-N 3.45Å; A285-M295 HydrophobicContact CB-CE 4.19Å |
| 286 | P | 92 | Very high | 89 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 149.6 | 169.1 | 30.1 | -34.5 | 0 | 0 | 0 | 111.1 | F262 V264 I269 M295 | F262-P286 HydrophobicContact CB-CG 4.14Å; F262-P286 HydrophobicContact CD2-CG 4.32Å; F262-P286 HydrophobicContact CG-CG 4.28Å; V264-P286 HydrophobicContact CG2-CG 4.29Å; I269-P286 HydrophobicContact CD1-CB 4.08Å; I269-P286 HydrophobicContact CD1-CG 4.11Å; P286-M295 HydrophobicContact CG-SD 3.85Å |
| 287 | T | 91.2 | Very high | 89.2 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 27% | 0.27 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 137.6 | 177.2 | 51.5 | 0 | 0 | 0 | 0 | 111.4 | Y289 | T287-Y289 PolarHBondContact OG1-OH 3.36Š|
| 288 | L | 91.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -96 | 135.6 | 173.5 | -58.5 | 179.1 | 0 | 0 | 0 | 110 | V234 V236 N237 V264 Q293 M295 A316 | V234-L288 HydrophobicContact CG2-CD1 3.74Å; V236-L288 WeakPolarHBondContact CA-O 3.28Å; N237-L288 PolarHBondContact N-O 2.98Å; V264-L288 HydrophobicContact CG1-CD2 3.95Å; V264-L288 HydrophobicContact CG2-CD2 4.16Å; L288-Q293 HydrophobicContact CD2-CG 4.27Å; L288-M295 HydrophobicContact CD1-CB 4.2Å; L288-M295 HydrophobicContact CD2-CB 4.2Å; L288-A316 HydrophobicContact CB-CB 3.79Å; L288-A316 HydrophobicContact CD1-CB 3.76Å; L288-A316 HydrophobicContact CG-CB 4.42Å |
| 289 | Y | 89.4 | Confident | 89.8 | Confident | 147 Ų | 147 | 42 Ų | 42 | 58% | 0.576 | 24% | 0.238 | S | C | * | . | trans | -104 | -26.6 | -169.2 | -66.2 | -77.8 | 0 | 0 | 0 | 113.5 | V236 N237 T287 | V236-Y289 VanDerWaalsContact CG1-C 3.46Å; V236-Y289 WeakPolarHBondContact CG1-O 3.39Å; N237-Y289 VanDerWaalsContact OD1-CD1 3.24Å; N237-Y289 WeakPolarHBondContact OD1-CD1 3.45Å; T287-Y289 PolarHBondContact OG1-OH 3.36Å | ||
| 290 | D | 89.6 | Confident | 89.7 | Confident | 99 Ų | 99 | 37.9 Ų | 37.9 | 53% | 0.529 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -115.1 | 138 | -174.5 | -65 | -52.9 | 0 | 0 | 0 | 111.5 | G292 Q293 A316 | D290-G292 PolarHBondContact O-N 3.46Å; D290-Q293 HydrophobicContact CB-CB 4.35Å; D290-Q293 WeakPolarHBondContact O-CB 3.46Å; D290-Q293 PolarHBondContact O-N 3.04Å; D290-A316 WeakPolarHBondContact O-CB 3.19Å |
| 291 | P | 87.4 | Confident | 89.2 | Confident | 85 Ų | 85 | 35.7 Ų | 35.7 | 55% | 0.552 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 132.8 | 174.6 | 28.6 | -33.3 | 0 | 0 | 0 | 110.4 | V236 Q293 T318 | V236-P291 HydrophobicContact CG2-CB 4.3Å; P291-Q293 VanDerWaalsContact C-N 3.32Å; P291-T318 HydrophobicContact CB-CG2 3.92Å |
| 292 | G | 86.5 | Confident | 88.4 | Confident | 59 Ų | 59 | 37.1 Ų | 37.1 | 61% | 0.608 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | -1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D290 A316 | D290-G292 PolarHBondContact O-N 3.46Å; G292-A316 PolarHBondContact N-O 3.47Å |
| 293 | Q | 90.1 | Very high | 87.7 | Confident | 20 Ų | 20 | 40 Ų | 40 | 9% | 0.093 | 23% | 0.232 | C | C | . | . | trans | -63.6 | 137.6 | 170.9 | -168.4 | 174.5 | 21 | 0 | 0 | 110.6 | V264 N265 L288 D290 P291 A316 | V264-Q293 VanDerWaalsContact CG1-NE2 3.27Å; N265-Q293 PolarHBondContact ND2-NE2 2.8Å; N265-Q293 PolarHBondContact OD1-NE2 3.41Å; L288-Q293 HydrophobicContact CD2-CG 4.27Å; D290-Q293 HydrophobicContact CB-CB 4.35Å; D290-Q293 WeakPolarHBondContact O-CB 3.46Å; D290-Q293 PolarHBondContact O-N 3.04Å; P291-Q293 VanDerWaalsContact C-N 3.32Å; Q293-A316 HydrophobicContact CB-CB 4.21Å; Q293-A316 PolarHBondContact O-N 3.38Å | ||
| 294 | T | 91.8 | Very high | 86.7 | Confident | 74 Ų | 74 | 41.9 Ų | 41.9 | 45% | 0.454 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 144.4 | 178.3 | 54 | 0 | 0 | 0 | 0 | 111 | I314 T315 | T294-I314 CarbonylContact C-O 3.38Å; T294-I314 WeakPolarHBondContact CA-O 3.42Å; T294-T315 HydrophobicContact CG2-CG2 4.12Å |
| 295 | M | 91.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 128 | 174 | 175.7 | 174.8 | 68 | 0 | 0 | 110.1 | F240 I242 F262 I263 V264 A285 P286 L288 V297 T313 I314 | F240-M295 HydrophobicContact CE2-CE 4.06Å; F240-M295 HydrophobicContact CZ-CE 3.76Å; I242-M295 HydrophobicContact CD1-CE 3.73Å; F262-M295 HydrophobicContact CB-CG 4.3Å; F262-M295 HydrophobicContact CB-SD 4Å; F262-M295 HydrophobicContact CD1-CE 4.34Å; F262-M295 HydrophobicContact CD1-SD 3.88Å; F262-M295 HydrophobicContact CG-SD 4.15Å; I263-M295 WeakPolarHBondContact O-CA 3.08Å; V264-M295 HydrophobicContact CG2-CB 3.95Å; V264-M295 HydrophobicContact CG2-CG 3.59Å; V264-M295 HydrophobicContact CG2-SD 3.89Å; A285-M295 HydrophobicContact CB-CE 4.19Å; P286-M295 HydrophobicContact CG-SD 3.85Å; L288-M295 HydrophobicContact CD1-CB 4.2Å; L288-M295 HydrophobicContact CD2-CB 4.2Å; M295-V297 HydrophobicContact CE-CG2 4.26Å; M295-T313 CarbonylContact O-C 3.57Å; M295-T313 WeakPolarHBondContact O-CA 3.23Å; M295-I314 HydrophobicContact CE-CB 4.3Å; M295-I314 HydrophobicContact CE-CD1 4.02Å; M295-I314 PolarHBondContact N-O 3.49Å; M295-I314 PolarHBondContact O-N 2.84Å |
| 296 | D | 91.8 | Very high | 84.3 | Confident | 50 Ų | 50 | 45 Ų | 45 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 126.3 | 177.6 | -81.4 | -2.2 | 0 | 0 | 0 | 110.3 | F262 I263 A311 Y312 T313 | F262-D296 CarbonylContact C-O 3.56Å; F262-D296 WeakPolarHBondContact CA-O 2.89Å; I263-D296 HydrophobicContact CB-CB 4.05Å; I263-D296 PolarHBondContact N-O 2.91Å; I263-D296 PolarHBondContact O-N 2.97Å; D296-A311 HydrophobicContact CB-CB 3.86Å; D296-Y312 WeakPolarHBondContact CA-O 3.44Å; D296-T313 WeakPolarHBondContact OD1-CG2 3.45Å |
| 297 | V | 90.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.8 | -177.2 | -171.9 | 0 | 0 | 0 | 0 | 109.7 | I242 F262 M295 I299 A311 Y312 I314 | I242-V297 HydrophobicContact CD1-CG2 3.95Å; F262-V297 HydrophobicContact CD1-CG1 4.21Å; F262-V297 HydrophobicContact CD1-CG2 4.12Å; F262-V297 HydrophobicContact CE1-CG1 3.91Å; F262-V297 HydrophobicContact CE1-CG2 4.27Å; M295-V297 HydrophobicContact CE-CG2 4.26Å; V297-I299 HydrophobicContact CG1-CD1 3.97Å; V297-A311 WeakPolarHBondContact O-CA 3.5Å; V297-Y312 PolarHBondContact N-O 2.9Å; V297-Y312 PolarHBondContact O-N 2.9Å; V297-Y312 VanDerWaalsContact O-N 3.09Å; V297-I314 HydrophobicContact CG2-CD1 3.67Å; V297-I314 HydrophobicContact CG2-CG1 4.13Å |
| 298 | L | 88 | Confident | 82.2 | Confident | 27 Ų | 27 | 48 Ų | 48 | 14% | 0.141 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 132.3 | 177.9 | -71.8 | 168.2 | 0 | 0 | 0 | 110 | S261 I263 F307 A311 | S261-L298 PolarHBondContact N-O 3.32Å; S261-L298 PolarHBondContact O-N 3.38Å; I263-L298 HydrophobicContact CD1-CD1 3.57Å; I263-L298 HydrophobicContact CG1-CD1 4.36Å; L298-F307 HydrophobicContact CB-CD1 3.67Å; L298-F307 HydrophobicContact CB-CE1 3.89Å; L298-F307 HydrophobicContact CB-CG 4.38Å; L298-F307 HydrophobicContact CD2-CB 4.46Å; L298-A311 HydrophobicContact CD2-CB 3.85Å; L298-A311 HydrophobicContact CG-CB 4.11Å |
| 299 | I | 85.6 | Confident | 81 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124.3 | -177.5 | -59.3 | 67.6 | 0 | 0 | 0 | 108.1 | I226 L244 V297 L301 F307 I308 | I226-I299 HydrophobicContact CD1-CB 4.19Å; I226-I299 HydrophobicContact CD1-CD1 3.45Å; I226-I299 VanDerWaalsContact CD1-CD1 3.45Å; I226-I299 HydrophobicContact CD1-CG1 3.85Å; L244-I299 HydrophobicContact CD1-CD1 3.89Å; L244-I299 HydrophobicContact CD1-CG1 3.46Å; L244-I299 VanDerWaalsContact CD1-CG1 3.46Å; L244-I299 HydrophobicContact CD2-CD1 3.87Å; L244-I299 HydrophobicContact CD2-CG1 4.28Å; L244-I299 HydrophobicContact CG-CG1 4.48Å; V297-I299 HydrophobicContact CG1-CD1 3.97Å; I299-L301 HydrophobicContact CG2-CD2 4.19Å; I299-F307 WeakPolarHBondContact O-CA 3.47Å; I299-I308 HydrophobicContact CB-CD1 4.25Å; I299-I308 HydrophobicContact CG2-CD1 3.87Å; I299-I308 PolarHBondContact O-N 3.4Å; I299-I308 VanDerWaalsContact O-N 3.16Å |
| 300 | S | 80.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 132.3 | 169.7 | 158.8 | 0 | 0 | 0 | 0 | 110 | V258 I259 N302 G304 | V258-S300 WeakPolarHBondContact CA-O 3.16Å; I259-S300 PolarHBondContact N-O 2.96Å; I259-S300 PolarHBondContact O-N 3.21Å; S300-N302 PolarHBondContact OG-N 3.44Å; S300-N302 PolarHBondContact OG-OD1 3.24Å; S300-G304 WeakPolarHBondContact OG-CA 3.3Å; S300-G304 PolarHBondContact OG-N 3.1Å |
| 301 | L | 77.7 | Confident | 79.8 | Confident | 19 Ų | 19 | 44.2 Ų | 44.2 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -93.2 | -15.3 | 174.6 | -71.8 | -166.9 | 0 | 0 | 0 | 112.7 | T224 I251 G257 V258 I299 I308 | T224-L301 HydrophobicContact CG2-CD1 3.61Å; I251-L301 VanDerWaalsContact CD1-CA 3.49Å; I251-L301 HydrophobicContact CD1-CB 3.26Å; I251-L301 HydrophobicContact CD1-CD1 4.16Å; I251-L301 HydrophobicContact CD1-CD2 3.81Å; I251-L301 HydrophobicContact CD1-CG 3.84Å; I251-L301 WeakPolarHBondContact CD1-O 3.4Å; I251-L301 HydrophobicContact CG1-CB 4.18Å; I251-L301 HydrophobicContact CG1-CD1 4.25Å; I251-L301 HydrophobicContact CG1-CD2 4.39Å; I251-L301 HydrophobicContact CG1-CG 4.44Å; G257-L301 CarbonylContact C-O 3.5Å; G257-L301 CarbonylContact O-C 3.49Å; G257-L301 VanDerWaalsContact O-C 3.28Å; G257-L301 VanDerWaalsContact O-O 3.08Å; V258-L301 HydrophobicContact CG1-CD2 3.99Å; V258-L301 HydrophobicContact CG2-CD2 4.07Å; I299-L301 HydrophobicContact CG2-CD2 4.19Å; L301-I308 HydrophobicContact CD1-CD1 3.52Å; L301-I308 HydrophobicContact CD1-CG1 4.01Å; L301-I308 HydrophobicContact CD2-CD1 3.89Å; L301-I308 HydrophobicContact CG-CD1 3.45Å; L301-I308 VanDerWaalsContact CG-CD1 3.45Å; L301-I308 HydrophobicContact CG-CG1 3.85Å |
| 302 | N | 71.9 | Confident | 79.8 | Confident | 31 Ų | 31 | 43.6 Ų | 43.6 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -125.7 | 49.8 | -169.6 | 61.7 | -4.8 | 0 | 0 | 0 | 113.3 | S300 G304 K305 S306 | S300-N302 PolarHBondContact OG-N 3.44Å; S300-N302 PolarHBondContact OG-OD1 3.24Å; N302-G304 VanDerWaalsContact C-N 3.33Å; N302-G304 PolarHBondContact O-N 2.97Å; N302-K305 HydrophobicContact CB-CB 4.45Å; N302-K305 WeakPolarHBondContact ND2-CB 3.43Å; N302-K305 WeakPolarHBondContact O-CB 3.28Å; N302-K305 WeakPolarHBondContact O-CG 3.49Å; N302-K305 PolarHBondContact O-N 2.89Å; N302-K305 PolarHBondContact OD1-N 3.3Å; N302-S306 PolarHBondContact ND2-N 3.07Å; N302-S306 PolarHBondContact ND2-OG 3.32Å; N302-S306 PolarHBondContact OD1-N 2.84Å; N302-S306 PolarHBondContact OD1-O 3.03Å; N302-S306 PolarHBondContact OD1-OG 3.36Å |
| 303 | N | 75.7 | Confident | 80 | Confident | 101 Ų | 101 | 45.4 Ų | 45.4 | 54% | 0.54 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 39.4 | 178.5 | -74.7 | -24.6 | 0 | 0 | 0 | 114.4 | E256 G257 I259 | E256-N303 PolarHBondContact O-OD1 3.22Å; G257-N303 VanDerWaalsContact CA-OD1 3.23Å; G257-N303 WeakPolarHBondContact CA-OD1 3.37Å; G257-N303 PolarHBondContact O-N 3.41Å; G257-N303 PolarHBondContact O-OD1 2.8Å; I259-N303 HydrophobicContact CD1-CB 4.47Å |
| 304 | G | 71.8 | Confident | 80 | Confident | 38 Ų | 38 | 44.6 Ų | 44.6 | 39% | 0.392 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 10 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S300 N302 | S300-G304 WeakPolarHBondContact OG-CA 3.3Å; S300-G304 PolarHBondContact OG-N 3.1Å; N302-G304 VanDerWaalsContact C-N 3.33Å; N302-G304 PolarHBondContact O-N 2.97Å |
| 305 | K | 68.1 | Low | 80 | Confident | 101 Ų | 101 | 43.8 Ų | 43.8 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -79.2 | -31.5 | -177.8 | -69.2 | 176.7 | -177 | 178.9 | 0 | 113 | K143 K173 N302 | K143-K305 HydrophobicContact CD-CB 4.29Å; K143-K305 WeakPolarHBondContact CD-O 3.25Å; K173-K305 PolarHBondContact O-NZ 3.29Å; K173-K305 VanDerWaalsContact O-NZ 3.16Å; N302-K305 HydrophobicContact CB-CB 4.45Å; N302-K305 WeakPolarHBondContact ND2-CB 3.43Å; N302-K305 WeakPolarHBondContact O-CB 3.28Å; N302-K305 WeakPolarHBondContact O-CG 3.49Å; N302-K305 PolarHBondContact O-N 2.89Å; N302-K305 PolarHBondContact OD1-N 3.3Å |
| 306 | S | 67.8 | Low | 80 | Confident | 22 Ų | 22 | 44 Ų | 44 | 15% | 0.154 | 25% | 0.253 | C | S | . | . | trans | -150.2 | 147.1 | 175.3 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | N302 | N302-S306 PolarHBondContact ND2-N 3.07Å; N302-S306 PolarHBondContact ND2-OG 3.32Å; N302-S306 PolarHBondContact OD1-N 2.84Å; N302-S306 PolarHBondContact OD1-O 3.03Å; N302-S306 PolarHBondContact OD1-OG 3.36Å | ||
| 307 | F | 72.8 | Confident | 79.9 | Confident | 94 Ų | 94 | 43.5 Ų | 43.5 | 41% | 0.412 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -104.9 | 140.6 | 177 | -60.4 | -80.3 | 0 | 0 | 0 | 110.8 | L298 I299 | L298-F307 HydrophobicContact CB-CD1 3.67Å; L298-F307 HydrophobicContact CB-CE1 3.89Å; L298-F307 HydrophobicContact CB-CG 4.38Å; L298-F307 HydrophobicContact CD2-CB 4.46Å; I299-F307 WeakPolarHBondContact O-CA 3.47Å |
| 308 | I | 64.9 | Low | 79.9 | Confident | 41 Ų | 41 | 49 Ų | 49 | 21% | 0.21 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -71.2 | -34.4 | -172.6 | -50.6 | 170.8 | 0 | 0 | 0 | 111.9 | T224 F249 I299 L301 | T224-I308 WeakPolarHBondContact O-CG2 3.47Å; F249-I308 HydrophobicContact CD1-CD1 4.48Å; I299-I308 HydrophobicContact CB-CD1 4.25Å; I299-I308 HydrophobicContact CG2-CD1 3.87Å; I299-I308 PolarHBondContact O-N 3.4Å; I299-I308 VanDerWaalsContact O-N 3.16Å; L301-I308 HydrophobicContact CD1-CD1 3.52Å; L301-I308 HydrophobicContact CD1-CG1 4.01Å; L301-I308 HydrophobicContact CD2-CD1 3.89Å; L301-I308 HydrophobicContact CG-CD1 3.45Å; L301-I308 VanDerWaalsContact CG-CD1 3.45Å; L301-I308 HydrophobicContact CG-CG1 3.85Å |
| 309 | S | 67.9 | Low | 79.6 | Confident | 33 Ų | 33 | 50.9 Ų | 50.9 | 23% | 0.231 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -144.7 | 173.6 | -169.9 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | Y312 | S309-Y312 WeakPolarHBondContact OG-CE2 3.42Š|
| 310 | S | 71.8 | Confident | 79.1 | Confident | 95 Ų | 95 | 55.4 Ų | 55.4 | 66% | 0.664 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -57.8 | 154.2 | 161.2 | 51.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 311 | A | 81.2 | Confident | 78.5 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 31% | 0.314 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 138.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D296 V297 L298 | D296-A311 HydrophobicContact CB-CB 3.86Å; V297-A311 WeakPolarHBondContact O-CA 3.5Å; L298-A311 HydrophobicContact CD2-CB 3.85Å; L298-A311 HydrophobicContact CG-CB 4.11Å |
| 312 | Y | 87.3 | Confident | 78.1 | Confident | 72 Ų | 72 | 61.3 Ų | 61.3 | 28% | 0.282 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.9 | 169.2 | -69.3 | -89 | 0 | 0 | 0 | 109.5 | I226 V229 D296 V297 S309 | I226-Y312 HydrophobicContact CB-CE2 3.95Å; I226-Y312 HydrophobicContact CD1-CE2 3.89Å; I226-Y312 HydrophobicContact CG2-CD2 4.5Å; I226-Y312 HydrophobicContact CG2-CE2 3.7Å; I226-Y312 PolarHBondContact O-OH 2.77Å; V229-Y312 HydrophobicContact CB-CG 4.47Å; V229-Y312 HydrophobicContact CG2-CD1 3.71Å; V229-Y312 HydrophobicContact CG2-CD2 3.73Å; V229-Y312 HydrophobicContact CG2-CE1 4.06Å; V229-Y312 HydrophobicContact CG2-CE2 4.09Å; V229-Y312 HydrophobicContact CG2-CG 3.52Å; D296-Y312 WeakPolarHBondContact CA-O 3.44Å; V297-Y312 PolarHBondContact N-O 2.9Å; V297-Y312 PolarHBondContact O-N 2.9Å; V297-Y312 VanDerWaalsContact O-N 3.09Å; S309-Y312 WeakPolarHBondContact OG-CE2 3.42Å |
| 313 | T | 89.8 | Confident | 78.1 | Confident | 97 Ų | 97 | 63 Ų | 63 | 60% | 0.595 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 122.3 | -178.6 | 55 | 0 | 0 | 0 | 0 | 110.5 | M295 D296 | M295-T313 CarbonylContact O-C 3.57Å; M295-T313 WeakPolarHBondContact O-CA 3.23Å; D296-T313 WeakPolarHBondContact OD1-CG2 3.45Å |
| 314 | I | 90.6 | Very high | 78.2 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 2% | 0.015 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 137.5 | 169.6 | -61.9 | 178.8 | 0 | 0 | 0 | 108.5 | V229 V234 I242 T294 M295 V297 | V229-I314 HydrophobicContact CG1-CD1 4.3Å; V234-I314 HydrophobicContact CG1-CG2 3.89Å; V234-I314 HydrophobicContact CG2-CG2 4Å; I242-I314 HydrophobicContact CD1-CD1 3.69Å; I242-I314 HydrophobicContact CG1-CD1 3.94Å; I242-I314 HydrophobicContact CG2-CD1 4.5Å; T294-I314 CarbonylContact C-O 3.38Å; T294-I314 WeakPolarHBondContact CA-O 3.42Å; M295-I314 HydrophobicContact CE-CB 4.3Å; M295-I314 HydrophobicContact CE-CD1 4.02Å; M295-I314 PolarHBondContact N-O 3.49Å; M295-I314 PolarHBondContact O-N 2.84Å; V297-I314 HydrophobicContact CG2-CD1 3.67Å; V297-I314 HydrophobicContact CG2-CG1 4.13Å |
| 315 | T | 91.8 | Very high | 78.6 | Confident | 56 Ų | 56 | 66.5 Ų | 66.5 | 34% | 0.344 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 137 | -178.2 | 55 | 0 | 0 | 0 | 0 | 112.2 | S232 V233 V234 T294 | S232-T315 PolarHBondContact O-N 3.01Å; S232-T315 VanDerWaalsContact O-N 3.13Å; V233-T315 VanDerWaalsContact CA-O 3.31Å; V233-T315 WeakPolarHBondContact CA-O 3.29Å; V234-T315 PolarHBondContact N-O 3.29Å; T294-T315 HydrophobicContact CG2-CG2 4.12Å |
| 316 | A | 91.6 | Very high | 79.3 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 4% | 0.041 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 138 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V234 V236 L288 D290 G292 Q293 | V234-A316 CarbonylContact O-C 2.9Å; V234-A316 WeakPolarHBondContact O-CA 3.34Å; V236-A316 HydrophobicContact CG2-CB 4.03Å; L288-A316 HydrophobicContact CB-CB 3.79Å; L288-A316 HydrophobicContact CD1-CB 3.76Å; L288-A316 HydrophobicContact CG-CB 4.42Å; D290-A316 WeakPolarHBondContact O-CB 3.19Å; G292-A316 PolarHBondContact N-O 3.47Å; Q293-A316 HydrophobicContact CB-CB 4.21Å; Q293-A316 PolarHBondContact O-N 3.38Å |
| 317 | S | 91 | Very high | 80.2 | Confident | 39 Ų | 39 | 70.7 Ų | 70.7 | 27% | 0.273 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 159.7 | 178.2 | 72.5 | 0 | 0 | 0 | 0 | 111.6 | V233 V234 C235 V236 C319 | V233-S317 WeakPolarHBondContact CG1-OG 3.33Å; V234-S317 PolarHBondContact O-N 2.62Å; V234-S317 PolarHBondContact O-OG 2.8Å; C235-S317 WeakPolarHBondContact CA-O 3.3Å; V236-S317 PolarHBondContact N-O 3.02Å; V236-S317 VanDerWaalsContact N-O 3.17Å; S317-C319 PolarHBondContact O-N 3.49Å |
| 318 | T | 89.3 | Confident | 80.9 | Confident | 116 Ų | 116 | 70 Ų | 70 | 71% | 0.712 | 44% | 0.439 | S | S | * | . | trans | -78 | 113.2 | 172.7 | 56.1 | 0 | 0 | 0 | 0 | 109.6 | P291 | P291-T318 HydrophobicContact CB-CG2 3.92Š| ||
| 319 | C | 82.3 | Confident | 82 | Confident | 67 Ų | 67 | 72.4 Ų | 72.4 | 45% | 0.453 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -91.1 | 130.8 | 176.2 | -65.8 | 0 | 0 | 0 | 0 | 111.2 | C235 S317 | C235-C319 WeakPolarHBondContact CA-SG 3.47Å; C235-C319 HydrophobicContact CB-CB 3.61Å; C235-C319 WeakPolarHBondContact CB-SG 3.35Å; C235-C319 WeakPolarHBondContact SG-CB 3.49Å; C235-C319 CovalentContact SG-SG 2.01Å; C235-C319 PolarHBondContact SG-SG 2.85Å; S317-C319 PolarHBondContact O-N 3.49Å |
| 320 | S | 76.1 | Confident | 83.1 | Confident | 95 Ų | 95 | 75.6 Ų | 75.6 | 66% | 0.664 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -85.6 | 122.8 | 168.2 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | G322 | S320-G322 PolarHBondContact O-N 2.99Š|
| 321 | S | 67.6 | Low | 84.2 | Confident | 89 Ų | 89 | 74.8 Ų | 74.8 | 62% | 0.622 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 123.4 | 166.6 | 51.6 | 0 | 0 | 0 | 0 | 107.9 | S323 | S321-S323 PolarHBondContact O-N 3.48Š|
| 322 | G | 68.3 | Low | 84.7 | Confident | 55 Ų | 55 | 78.2 Ų | 78.2 | 57% | 0.567 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 9.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | S320 V324 L325 L326 | S320-G322 PolarHBondContact O-N 2.99Å; G322-V324 PolarHBondContact O-N 3.39Å; G322-L325 WeakPolarHBondContact O-CB 3.38Å; G322-L325 PolarHBondContact O-N 3.38Å; G322-L326 PolarHBondContact O-N 3.2Å; G322-L326 VanDerWaalsContact O-N 3.11Å |
| 323 | S | 73 | Confident | 84.9 | Confident | 65 Ų | 65 | 79.8 Ų | 79.8 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -47.5 | -39.3 | 169.8 | -48 | 0 | 0 | 0 | 0 | 112.8 | S321 L326 I327 | S321-S323 PolarHBondContact O-N 3.48Å; S323-L326 PolarHBondContact O-N 3.22Å; S323-I327 WeakPolarHBondContact O-CD1 3.32Å; S323-I327 WeakPolarHBondContact O-CG1 3.2Å; S323-I327 PolarHBondContact O-N 3.27Å |
| 324 | V | 77.8 | Confident | 85.1 | Confident | 91 Ų | 91 | 77.7 Ų | 77.7 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.6 | -42.4 | 177.7 | -178.5 | 0 | 0 | 0 | 0 | 111.1 | G322 L326 I327 V328 | G322-V324 PolarHBondContact O-N 3.39Å; V324-L326 VanDerWaalsContact C-N 3.33Å; V324-L326 PolarHBondContact O-N 3.04Å; V324-I327 PolarHBondContact O-N 3.26Å; V324-V328 VanDerWaalsContact O-CG2 3.27Å; V324-V328 WeakPolarHBondContact O-CG2 3.48Å; V324-V328 PolarHBondContact O-N 2.98Å |
| 325 | L | 80.8 | Confident | 85.2 | Confident | 123 Ų | 123 | 82.3 Ų | 82.3 | 64% | 0.644 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.1 | -40.8 | 177.1 | -154.9 | 90.4 | 0 | 0 | 0 | 111.1 | G322 V328 I329 | G322-L325 WeakPolarHBondContact O-CB 3.38Å; G322-L325 PolarHBondContact O-N 3.38Å; L325-V328 PolarHBondContact O-N 3.21Å; L325-I329 HydrophobicContact CD2-CD1 4.44Å; L325-I329 VanDerWaalsContact O-CG1 3.32Å; L325-I329 WeakPolarHBondContact O-CG1 3.25Å; L325-I329 PolarHBondContact O-N 3.07Å |
| 326 | L | 81.8 | Confident | 85.2 | Confident | 109 Ų | 109 | 84.2 Ų | 84.2 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.4 | -41.6 | 178 | -164.6 | 144.7 | 0 | 0 | 0 | 111.6 | G322 S323 V324 I329 L330 | G322-L326 PolarHBondContact O-N 3.2Å; G322-L326 VanDerWaalsContact O-N 3.11Å; S323-L326 PolarHBondContact O-N 3.22Å; V324-L326 VanDerWaalsContact C-N 3.33Å; V324-L326 PolarHBondContact O-N 3.04Å; L326-I329 PolarHBondContact O-N 3Å; L326-L330 HydrophobicContact CD2-CD1 3.66Å; L326-L330 HydrophobicContact CD2-CG 4.24Å; L326-L330 WeakPolarHBondContact O-CG 3.25Å; L326-L330 PolarHBondContact O-N 3.22Å |
| 327 | I | 86.4 | Confident | 85.1 | Confident | 101 Ų | 101 | 86.4 Ų | 86.4 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 173.6 | -67.6 | 162.1 | 0 | 0 | 0 | 110.6 | S323 V324 I329 L330 V331 | S323-I327 WeakPolarHBondContact O-CD1 3.32Å; S323-I327 WeakPolarHBondContact O-CG1 3.2Å; S323-I327 PolarHBondContact O-N 3.27Å; V324-I327 PolarHBondContact O-N 3.26Å; I327-I329 VanDerWaalsContact C-N 3.35Å; I327-I329 PolarHBondContact O-N 3.29Å; I327-L330 PolarHBondContact O-N 3.42Å; I327-V331 HydrophobicContact CG2-CG2 4.39Å; I327-V331 VanDerWaalsContact O-CG2 3.3Å; I327-V331 WeakPolarHBondContact O-CG2 3.46Å; I327-V331 PolarHBondContact O-N 2.99Å |
| 328 | V | 87.4 | Confident | 85 | Confident | 80 Ų | 80 | 89.8 Ų | 89.8 | 49% | 0.485 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.5 | -42.6 | 178 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | V324 L325 V331 M332 | V324-V328 VanDerWaalsContact O-CG2 3.27Å; V324-V328 WeakPolarHBondContact O-CG2 3.48Å; V324-V328 PolarHBondContact O-N 2.98Å; L325-V328 PolarHBondContact O-N 3.21Å; V328-V331 PolarHBondContact O-N 3.15Å; V328-M332 WeakPolarHBondContact O-CG 3.19Å; V328-M332 PolarHBondContact O-N 3.26Å |
| 329 | I | 88.7 | Confident | 84.9 | Confident | 92 Ų | 92 | 87 Ų | 87 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 176.1 | -68.4 | 166.2 | 0 | 0 | 0 | 111 | L325 L326 I327 V331 M332 L333 | L325-I329 HydrophobicContact CD2-CD1 4.44Å; L325-I329 VanDerWaalsContact O-CG1 3.32Å; L325-I329 WeakPolarHBondContact O-CG1 3.25Å; L325-I329 PolarHBondContact O-N 3.07Å; L326-I329 PolarHBondContact O-N 3Å; I327-I329 VanDerWaalsContact C-N 3.35Å; I327-I329 PolarHBondContact O-N 3.29Å; I329-V331 PolarHBondContact O-N 3.37Å; I329-M332 PolarHBondContact O-N 3.4Å; I329-L333 HydrophobicContact CG2-CD1 4.14Å; I329-L333 WeakPolarHBondContact O-CG 3.31Å; I329-L333 PolarHBondContact O-N 2.9Å |
| 330 | L | 91.1 | Very high | 85 | Confident | 100 Ų | 100 | 89.8 Ų | 89.8 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 176.7 | -74.6 | 175.7 | 0 | 0 | 0 | 112.2 | L326 I327 L333 A334 | L326-L330 HydrophobicContact CD2-CD1 3.66Å; L326-L330 HydrophobicContact CD2-CG 4.24Å; L326-L330 WeakPolarHBondContact O-CG 3.25Å; L326-L330 PolarHBondContact O-N 3.22Å; I327-L330 PolarHBondContact O-N 3.42Å; L330-L333 PolarHBondContact O-N 3.49Å; L330-A334 WeakPolarHBondContact O-CB 3.36Å; L330-A334 PolarHBondContact O-N 2.93Å |
| 331 | V | 93.9 | Very high | 85.4 | Confident | 77 Ų | 77 | 90.6 Ų | 90.6 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 175.4 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | I327 V328 I329 L333 A334 L335 | I327-V331 HydrophobicContact CG2-CG2 4.39Å; I327-V331 VanDerWaalsContact O-CG2 3.3Å; I327-V331 WeakPolarHBondContact O-CG2 3.46Å; I327-V331 PolarHBondContact O-N 2.99Å; V328-V331 PolarHBondContact O-N 3.15Å; I329-V331 PolarHBondContact O-N 3.37Å; V331-L333 PolarHBondContact O-N 3.35Å; V331-A334 PolarHBondContact O-N 3.11Å; V331-L335 HydrophobicContact CG1-CD1 4.28Å; V331-L335 WeakPolarHBondContact O-CG 3.32Å; V331-L335 PolarHBondContact O-N 3.11Å |
| 332 | M | 92.3 | Very high | 86.1 | Confident | 111 Ų | 111 | 96.9 Ų | 96.9 | 55% | 0.547 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 176.6 | -74.4 | -61.8 | -65.5 | 0 | 0 | 112.5 | V328 I329 L335 L336 | V328-M332 WeakPolarHBondContact O-CG 3.19Å; V328-M332 PolarHBondContact O-N 3.26Å; I329-M332 PolarHBondContact O-N 3.4Å; M332-L335 PolarHBondContact O-N 2.86Å; M332-L336 WeakPolarHBondContact O-CG 3.48Å; M332-L336 PolarHBondContact O-N 3.32Å; M332-L336 VanDerWaalsContact O-N 3.12Å |
| 333 | L | 92.4 | Very high | 86.5 | Confident | 104 Ų | 104 | 101.6 Ų | 101.6 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | 175 | -73.3 | 172.6 | 0 | 0 | 0 | 112.2 | I329 L330 V331 L336 A337 | I329-L333 HydrophobicContact CG2-CD1 4.14Å; I329-L333 WeakPolarHBondContact O-CG 3.31Å; I329-L333 PolarHBondContact O-N 2.9Å; L330-L333 PolarHBondContact O-N 3.49Å; V331-L333 PolarHBondContact O-N 3.35Å; L333-L336 PolarHBondContact O-N 2.88Å; L333-A337 PolarHBondContact O-N 3.4Å |
| 334 | A | 93.1 | Very high | 86.5 | Confident | 53 Ų | 53 | 103.6 Ų | 103.6 | 44% | 0.438 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L330 V331 L336 A337 L338 | L330-A334 WeakPolarHBondContact O-CB 3.36Å; L330-A334 PolarHBondContact O-N 2.93Å; V331-A334 PolarHBondContact O-N 3.11Å; A334-L336 VanDerWaalsContact C-N 3.34Å; A334-L336 PolarHBondContact O-N 3.44Å; A334-A337 PolarHBondContact O-N 2.9Å; A334-L338 WeakPolarHBondContact O-CG 3.23Å; A334-L338 PolarHBondContact O-N 2.88Å |
| 335 | L | 93 | Very high | 85.9 | Confident | 101 Ų | 101 | 108.2 Ų | 108.2 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 175.6 | -71.1 | 175.6 | 0 | 0 | 0 | 112.1 | V331 M332 L338 A339 | V331-L335 HydrophobicContact CG1-CD1 4.28Å; V331-L335 WeakPolarHBondContact O-CG 3.32Å; V331-L335 PolarHBondContact O-N 3.11Å; M332-L335 PolarHBondContact O-N 2.86Å; L335-L338 PolarHBondContact O-N 3.1Å; L335-A339 PolarHBondContact O-N 3.37Å |
| 336 | L | 90.9 | Very high | 85 | Confident | 96 Ų | 96 | 106 Ų | 106 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 174 | -73.5 | 172 | 0 | 0 | 0 | 111.7 | M332 L333 A334 L338 A339 F340 | M332-L336 WeakPolarHBondContact O-CG 3.48Å; M332-L336 PolarHBondContact O-N 3.32Å; M332-L336 VanDerWaalsContact O-N 3.12Å; L333-L336 PolarHBondContact O-N 2.88Å; A334-L336 VanDerWaalsContact C-N 3.34Å; A334-L336 PolarHBondContact O-N 3.44Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 2.81Å; L336-A339 PolarHBondContact O-N 2.89Å; L336-F340 WeakPolarHBondContact O-CD2 3.47Å; L336-F340 PolarHBondContact O-N 2.95Å |
| 337 | A | 89.8 | Confident | 84.1 | Confident | 51 Ų | 51 | 104.6 Ų | 104.6 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L333 A334 F340 L341 | L333-A337 PolarHBondContact O-N 3.4Å; A334-A337 PolarHBondContact O-N 2.9Å; A337-F340 PolarHBondContact O-N 3.28Å; A337-L341 WeakPolarHBondContact O-CG 3.34Å; A337-L341 PolarHBondContact O-N 3.19Å |
| 338 | L | 89.8 | Confident | 82.7 | Confident | 109 Ų | 109 | 105 Ų | 105 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.3 | -40.5 | 174.9 | -70.8 | 173.9 | 0 | 0 | 0 | 112.3 | A334 L335 L336 F340 L341 W342 | A334-L338 WeakPolarHBondContact O-CG 3.23Å; A334-L338 PolarHBondContact O-N 2.88Å; L335-L338 PolarHBondContact O-N 3.1Å; L336-L338 VanDerWaalsContact C-N 3.33Å; L336-L338 PolarHBondContact O-N 2.81Å; L338-F340 VanDerWaalsContact C-N 3.33Å; L338-F340 PolarHBondContact O-N 2.94Å; L338-L341 PolarHBondContact O-N 3.25Å; L338-W342 WeakPolarHBondContact O-CB 3.27Å; L338-W342 PolarHBondContact O-N 3.49Å |
| 339 | A | 86.3 | Confident | 81.1 | Confident | 59 Ų | 59 | 105.3 Ų | 105.3 | 49% | 0.488 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L335 L336 W343 | L335-A339 PolarHBondContact O-N 3.37Å; L336-A339 PolarHBondContact O-N 2.89Å; A339-W343 WeakPolarHBondContact O-CB 3.17Å; A339-W343 PolarHBondContact O-N 3.04Å |
| 340 | F | 84.8 | Confident | 79.5 | Confident | 125 Ų | 125 | 105.8 Ų | 105.8 | 55% | 0.548 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.5 | -47.2 | 172.8 | -80.7 | -66.3 | 0 | 0 | 0 | 111.8 | L336 A337 L338 W342 W343 F344 | L336-F340 WeakPolarHBondContact O-CD2 3.47Å; L336-F340 PolarHBondContact O-N 2.95Å; A337-F340 PolarHBondContact O-N 3.28Å; L338-F340 VanDerWaalsContact C-N 3.33Å; L338-F340 PolarHBondContact O-N 2.94Å; F340-W342 VanDerWaalsContact C-N 3.31Å; F340-W342 PolarHBondContact O-N 2.96Å; F340-W343 WeakPolarHBondContact O-CB 3.29Å; F340-W343 PolarHBondContact O-N 2.95Å; F340-W343 VanDerWaalsContact O-N 3.09Å; F340-F344 HydrophobicContact CB-CD2 4.47Å; F340-F344 HydrophobicContact CD1-CE2 4.01Å; F340-F344 WeakPolarHBondContact O-CD2 3.17Å; F340-F344 PolarHBondContact O-N 3.44Å |
| 341 | L | 84.3 | Confident | 77.3 | Confident | 111 Ų | 111 | 107.2 Ų | 107.2 | 58% | 0.581 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.7 | -41.3 | 177.3 | -73.6 | 169.9 | 0 | 0 | 0 | 111.9 | A337 L338 W343 F344 W345 | A337-L341 WeakPolarHBondContact O-CG 3.34Å; A337-L341 PolarHBondContact O-N 3.19Å; L338-L341 PolarHBondContact O-N 3.25Å; L341-W343 VanDerWaalsContact C-N 3.34Å; L341-W343 PolarHBondContact O-N 2.84Å; L341-F344 PolarHBondContact O-N 3.03Å; L341-W345 WeakPolarHBondContact O-CB 3.44Å; L341-W345 PolarHBondContact O-N 3.49Å |
| 342 | W | 81.6 | Confident | 75.1 | Confident | 221 Ų | 221 | 108.4 Ų | 108.4 | 84% | 0.837 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.6 | -43.2 | 173 | -174.6 | -68.7 | 0 | 0 | 0 | 111.9 | L338 F340 F344 W345 | L338-W342 WeakPolarHBondContact O-CB 3.27Å; L338-W342 PolarHBondContact O-N 3.49Å; F340-W342 VanDerWaalsContact C-N 3.31Å; F340-W342 PolarHBondContact O-N 2.96Å; W342-F344 VanDerWaalsContact C-N 3.32Å; W342-F344 PolarHBondContact O-N 3.39Å; W342-W345 PolarHBondContact O-N 3.5Å |
| 343 | W | 77.2 | Confident | 72.9 | Confident | 154 Ų | 154 | 110.1 Ų | 110.1 | 58% | 0.583 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.6 | -37.2 | 177.8 | -167.7 | -68.1 | 0 | 0 | 0 | 112.4 | A339 F340 L341 P346 Y469 | A339-W343 WeakPolarHBondContact O-CB 3.17Å; A339-W343 PolarHBondContact O-N 3.04Å; F340-W343 WeakPolarHBondContact O-CB 3.29Å; F340-W343 PolarHBondContact O-N 2.95Å; F340-W343 VanDerWaalsContact O-N 3.09Å; L341-W343 VanDerWaalsContact C-N 3.34Å; L341-W343 PolarHBondContact O-N 2.84Å; W343-P346 WeakPolarHBondContact O-CD 3.17Å; W343-Y469 HydrophobicContact CZ2-CD2 4.04Å; W343-Y469 HydrophobicContact CZ2-CE2 4.22Å |
| 344 | F | 72.9 | Confident | 70.5 | Confident | 108 Ų | 108 | 113.9 Ų | 113.9 | 47% | 0.474 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -89.9 | -11.7 | -179.3 | -72.1 | -71.9 | 0 | 0 | 0 | 114.4 | F340 L341 W342 P346 L347 | F340-F344 HydrophobicContact CB-CD2 4.47Å; F340-F344 HydrophobicContact CD1-CE2 4.01Å; F340-F344 WeakPolarHBondContact O-CD2 3.17Å; F340-F344 PolarHBondContact O-N 3.44Å; L341-F344 PolarHBondContact O-N 3.03Å; W342-F344 VanDerWaalsContact C-N 3.32Å; W342-F344 PolarHBondContact O-N 3.39Å; F344-P346 VanDerWaalsContact C-CD 3.41Å; F344-L347 HydrophobicContact CD1-CD1 3.73Å; F344-L347 HydrophobicContact CE1-CD1 4.25Å; F344-L347 WeakPolarHBondContact O-CB 3.35Å; F344-L347 PolarHBondContact O-N 3.32Å |
| 345 | W | 64.4 | Low | 67.9 | Low | 187 Ų | 187 | 118.2 Ų | 118.2 | 71% | 0.708 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -54.2 | -41 | 178 | -166 | -84.6 | 0 | 0 | 0 | 114.6 | L341 W342 L347 | L341-W345 WeakPolarHBondContact O-CB 3.44Å; L341-W345 PolarHBondContact O-N 3.49Å; W342-W345 PolarHBondContact O-N 3.5Å; W345-L347 PolarHBondContact O-N 3.38Å |
| 346 | P | 62.4 | Low | 66 | Low | 77 Ų | 77 | 118.8 Ų | 118.8 | 50% | 0.5 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.3 | -13.8 | 179.2 | -15.9 | 31.4 | 0 | 0 | 0 | 114.1 | W343 F344 | W343-P346 WeakPolarHBondContact O-CD 3.17Å; F344-P346 VanDerWaalsContact C-CD 3.41Å |
| 347 | L | 63.2 | Low | 63.9 | Low | 79 Ų | 79 | 120 Ų | 120 | 41% | 0.414 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -87.9 | -24.5 | -176.5 | -87.4 | 165.2 | 0 | 0 | 0 | 113.6 | F344 W345 V472 | F344-L347 HydrophobicContact CD1-CD1 3.73Å; F344-L347 HydrophobicContact CE1-CD1 4.25Å; F344-L347 WeakPolarHBondContact O-CB 3.35Å; F344-L347 PolarHBondContact O-N 3.32Å; W345-L347 PolarHBondContact O-N 3.38Å; L347-V472 HydrophobicContact CD1-CG1 4Å; L347-V472 HydrophobicContact CD2-CB 4.18Å; L347-V472 HydrophobicContact CD2-CG1 3.18Å; L347-V472 HydrophobicContact CD2-CG2 3.98Å; L347-V472 HydrophobicContact CG-CG1 3.84Å |
| 348 | C | 57.6 | Low | 62.1 | Low | 109 Ų | 109 | 123.3 Ų | 123.3 | 74% | 0.736 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -97.8 | -8.7 | -172.5 | -68.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 349 | C | 53.8 | Low | 60.5 | Low | 87 Ų | 87 | 123.8 Ų | 123.8 | 59% | 0.588 | 66% | 0.662 | S | S | * | * | trans | -122.4 | 51.5 | -171 | -64.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 350 | T | 53.9 | Low | 58.9 | Low | 103 Ų | 103 | 126.7 Ų | 126.7 | 63% | 0.632 | 68% | 0.675 | S | S | * | * | trans | -99 | 94 | 161.2 | 55.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 351 | V | 46.6 | Very low | 57.2 | Low | 130 Ų | 130 | 126.7 Ų | 126.7 | 79% | 0.788 | 69% | 0.688 | S | S | * | * | trans | -76.6 | 123.3 | 175 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 352 | V | 47 | Very low | 55.5 | Low | 102 Ų | 102 | 127.6 Ų | 127.6 | 62% | 0.618 | 70% | 0.7 | S | S | * | * | trans | -94.2 | 111.2 | -179.7 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | K354 | V352-K354 HydrophobicContact CG1-CG 4.42Š| ||
| 353 | I | 46.4 | Very low | 53.6 | Low | 147 Ų | 147 | 122.9 Ų | 122.9 | 75% | 0.754 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -94 | 125.1 | 168.4 | -57.4 | 172 | 0 | 0 | 0 | 107.4 | ||
| 354 | K | 40.7 | Very low | 52 | Low | 182 Ų | 182 | 126.8 Ų | 126.8 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 119.5 | 175.9 | -77.3 | -172 | 175.9 | -178.7 | 0 | 109.8 | V352 | V352-K354 HydrophobicContact CG1-CG 4.42Š|
| 355 | D | 40.2 | Very low | 50.8 | Low | 145 Ų | 145 | 126.9 Ų | 126.9 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 147.2 | 167.8 | -68.8 | -33.2 | 0 | 0 | 0 | 111.5 | ||
| 356 | P | 51.5 | Low | 50.1 | Low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 155.5 | -174.6 | 30.4 | -34.1 | 0 | 0 | 0 | 113.1 | ||
| 357 | P | 48.4 | Very low | 49.5 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 142.6 | -170.4 | 29.6 | -34.2 | 0 | 0 | 0 | 113.6 | ||
| 358 | P | 51.8 | Low | 48.6 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 151 | 178.1 | 31.5 | -32.3 | 0 | 0 | 0 | 113.7 | ||
| 359 | P | 56.3 | Low | 47.8 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 161 | -179.7 | 31.3 | -34.3 | 0 | 0 | 0 | 114.3 | ||
| 360 | P | 51.3 | Low | 47.4 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 153.5 | -170.3 | 30.4 | -34.4 | 0 | 0 | 0 | 114.9 | ||
| 361 | P | 49.8 | Very low | 46.6 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -88 | 147.6 | -173.5 | 33.3 | -34.5 | 0 | 0 | 0 | 114.9 | ||
| 362 | P | 48.9 | Very low | 46.3 | Very low | 130 Ų | 130 | 137.7 Ų | 137.7 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 170.2 | 169.6 | 33.2 | -30.5 | 0 | 0 | 0 | 115.3 | ||
| 363 | S | 41.6 | Very low | 46.2 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 161.1 | -155.1 | 47.3 | 0 | 0 | 0 | 0 | 119.1 | ||
| 364 | R | 43.8 | Very low | 45.8 | Very low | 236 Ų | 236 | 139.4 Ų | 139.4 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | -104.3 | 140.2 | -176.4 | -177.2 | -170.4 | -81.7 | -155.2 | -2.2 | 112.5 | ||||
| 365 | P | 46.9 | Very low | 45.6 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 71% | 0.714 | 81% | 0.81 | S | S | * | * | trans | -105.4 | 163.6 | 160.2 | 26.2 | -11.3 | 0 | 0 | 0 | 113.8 | ||||
| 366 | P | 50.1 | Low | 45.4 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -98.7 | 154.9 | -162.7 | 37.7 | -32.4 | 0 | 0 | 0 | 114.4 | ||||
| 367 | P | 49.4 | Very low | 44.6 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | trans | -116.8 | 157.1 | 167.6 | 28.5 | -11.9 | 0 | 0 | 0 | 115.3 | ||||
| 368 | P | 44.8 | Very low | 43.7 | Very low | 130 Ų | 130 | 152 Ų | 152 | 84% | 0.844 | 83% | 0.827 | S | S | * | * | trans | -94 | 175.5 | -169.8 | 38.9 | -35.8 | 0 | 0 | 0 | 116 | ||||
| 369 | E | 40.6 | Very low | 43 | Very low | 190 Ų | 190 | 151.9 Ų | 151.9 | 89% | 0.888 | 83% | 0.826 | S | S | * | * | trans | -49.3 | 150.4 | -170.8 | -157.1 | 167.6 | -150.7 | 0 | 0 | 119.3 | ||||
| 370 | P | 46.2 | Very low | 42.1 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -124.8 | 143.2 | 156.1 | 30.2 | -14.1 | 0 | 0 | 0 | 115.6 | ||||
| 371 | E | 35.8 | Very low | 41.2 | Very low | 193 Ų | 193 | 152.7 Ų | 152.7 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -63.4 | 166.5 | -178.9 | -83.6 | -173.8 | 171.1 | 0 | 0 | 117.2 | ||||
| 372 | P | 41.3 | Very low | 40.3 | Very low | 112 Ų | 112 | 153.4 Ų | 153.4 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | -100 | 142.3 | -153.6 | 36.9 | -32.2 | 0 | 0 | 0 | 117.2 | ||||
| 373 | L | 43.4 | Very low | 39.7 | Very low | 154 Ų | 154 | 151.3 Ų | 151.3 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | trans | 27.3 | 136.5 | 143.4 | -66.7 | 166.3 | 0 | 0 | 0 | 122.2 | ||||
| 374 | P | 39.8 | Very low | 39.7 | Very low | 131 Ų | 131 | 150.4 Ų | 150.4 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -102.4 | 138.2 | 146 | 32.6 | -21.3 | 0 | 0 | 0 | 113 | ||||
| 375 | K | 36.6 | Very low | 39.3 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | -93.8 | 147.4 | -172 | -60.1 | 170.4 | 179.1 | 174.9 | 0 | 112.6 | ||||
| 376 | K | 35.3 | Very low | 38.7 | Very low | 200 Ų | 200 | 155.1 Ų | 155.1 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | trans | -147.3 | 96.9 | 147.7 | -96.6 | 178.8 | 179.2 | 176.6 | 0 | 107.8 | ||||
| 377 | K | 34.8 | Very low | 37.9 | Very low | 199 Ų | 199 | 152.8 Ų | 152.8 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | 58.3 | 101.1 | 84.9 | -79.2 | -169.4 | 176.9 | -177.2 | 0 | 113.3 | |||||
| 378 | W | 30.2 | Very low | 37.2 | Very low | 238 Ų | 238 | 150.2 Ų | 150.2 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -106.2 | 156.8 | 156.1 | -72.5 | 95 | 0 | 0 | 0 | 109.8 | ||||
| 379 | P | 37.1 | Very low | 36.6 | Very low | 118 Ų | 118 | 156.1 Ų | 156.1 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | trans | -75.7 | 132.1 | -164.4 | -11.9 | 28.1 | 0 | 0 | 0 | 113.4 | ||||
| 380 | T | 35.3 | Very low | 36.5 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 69% | 0.687 | 81% | 0.813 | S | S | * | * | trans | -76.1 | 134.6 | 164.3 | -44.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 381 | V | 33.2 | Very low | 36.2 | Very low | 145 Ų | 145 | 150.1 Ų | 150.1 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -138 | 114.6 | 143.4 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 382 | D | 30.5 | Very low | 36.9 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -72.1 | 146.9 | 167.4 | -80.8 | -50.7 | 0 | 0 | 0 | 111.7 | ||||
| 383 | A | 37.8 | Very low | 36.5 | Very low | 85 Ų | 85 | 142.7 Ų | 142.7 | 70% | 0.702 | 81% | 0.814 | S | S | * | * | trans | -174 | 98.9 | 131.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 384 | S | 40.8 | Very low | 36.5 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | 51.9 | 98.9 | 84.5 | 76.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 385 | Y | 34.5 | Very low | 36.5 | Very low | 223 Ų | 223 | 146.9 Ų | 146.9 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | -165.4 | 101.7 | 129.9 | -135 | -108.4 | 0 | 0 | 0 | 111.8 | |||||
| 386 | Y | 34.7 | Very low | 36.7 | Very low | 221 Ų | 221 | 149.5 Ų | 149.5 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | trans | 30.7 | 134.3 | 146.4 | -89.5 | -94.4 | 0 | 0 | 0 | 122.9 | ||||
| 387 | G | 34.2 | Very low | 37 | Very low | 76 Ų | 76 | 146.4 Ų | 146.4 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | 175.6 | 63.8 | 151.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 388 | G | 33.6 | Very low | 37.5 | Very low | 70 Ų | 70 | 145.6 Ų | 145.6 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | -64.2 | 141.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 389 | R | 33.8 | Very low | 38.3 | Very low | 253 Ų | 253 | 138.2 Ų | 138.2 | 96% | 0.955 | 79% | 0.794 | S | S | * | * | trans | -162.8 | 144.6 | 144.6 | -103.5 | 178.7 | -157.9 | -111.5 | 4.7 | 108.6 | ||||
| 390 | G | 37.8 | Very low | 39 | Very low | 77 Ų | 77 | 141.8 Ų | 141.8 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -77 | -172.5 | -161.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 391 | A | 40.1 | Very low | 39.3 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 93% | 0.934 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 49 | 76.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 392 | G | 50.6 | Low | 39.8 | Very low | 78 Ų | 78 | 140.9 Ų | 140.9 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 139.4 | 101.2 | 160 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 393 | G | 33.4 | Very low | 40.6 | Very low | 72 Ų | 72 | 144.2 Ų | 144.2 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -166.3 | 82.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 394 | I | 43.5 | Very low | 41 | Very low | 171 Ų | 171 | 149.7 Ų | 149.7 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | 73.5 | 106.7 | 91.5 | -58.8 | 165.6 | 0 | 0 | 0 | 113.5 | |||||
| 395 | K | 37.8 | Very low | 41.3 | Very low | 202 Ų | 202 | 147.5 Ų | 147.5 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -116.3 | 138.9 | 167.5 | -175.2 | 177.2 | -178.5 | 179.1 | 0 | 108.7 | ||||
| 396 | R | 41.4 | Very low | 41.9 | Very low | 242 Ų | 242 | 141.4 Ų | 141.4 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | trans | -85 | 154.1 | -177.1 | -91.4 | -169.9 | -170.9 | 172 | 3.8 | 114 | ||||
| 397 | M | 42.5 | Very low | 42.7 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 67% | 0.665 | 77% | 0.772 | S | S | * | * | trans | -105.5 | 144.4 | -168.9 | -170.7 | 171.9 | 74 | 0 | 0 | 111.3 | V399 E409 | M397-V399 HydrophobicContact CE-CG2 4.45Å; M397-E409 HydrophobicContact CE-CB 3.94Å; M397-E409 HydrophobicContact CE-CG 3.79Å | ||
| 398 | E | 43.8 | Very low | 43.5 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -114.6 | 136.4 | 173.9 | -69.7 | -179.7 | 172.2 | 0 | 0 | 109.8 | ||||
| 399 | V | 48.1 | Very low | 44.2 | Very low | 83 Ų | 83 | 142 Ų | 142 | 50% | 0.503 | 77% | 0.765 | S | S | . | * | trans | -134.9 | 127.1 | 172.3 | -138.7 | 0 | 0 | 0 | 0 | 110.3 | M397 | M397-V399 HydrophobicContact CE-CG2 4.45Š| ||
| 400 | K | 51.6 | Low | 44.9 | Very low | 193 Ų | 193 | 133.2 Ų | 133.2 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -88 | 131.8 | -173.1 | -63 | 177.3 | 178.9 | 177.3 | 0 | 110.8 | ||
| 401 | W | 42.6 | Very low | 45.6 | Very low | 181 Ų | 181 | 133.8 Ų | 133.8 | 69% | 0.686 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 118.5 | 174.9 | -69.3 | 81.3 | 0 | 0 | 0 | 110.5 | S406 | W401-S406 VanDerWaalsContact CZ3-CA 3.49Š|
| 402 | G | 43.2 | Very low | 46.1 | Very low | 57 Ų | 57 | 137.9 Ų | 137.9 | 59% | 0.588 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 168 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K404 | G402-K404 CarbonylContact O-C 3.48Å; G402-K404 PolarHBondContact O-N 2.9Å |
| 403 | E | 46.7 | Very low | 45.7 | Very low | 209 Ų | 209 | 141.7 Ų | 141.7 | 98% | 0.977 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -62.3 | 4.2 | -173.5 | -69.9 | -177.6 | 153 | 0 | 0 | 116.4 | ||
| 404 | K | 46.9 | Very low | 46.1 | Very low | 200 Ų | 200 | 145.3 Ų | 145.3 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -119.2 | 100.3 | 163.3 | -72.5 | -179.1 | 179.9 | 177 | 0 | 107.3 | G402 | G402-K404 CarbonylContact O-C 3.48Å; G402-K404 PolarHBondContact O-N 2.9Å |
| 405 | G | 46.5 | Very low | 46.1 | Very low | 59 Ų | 59 | 145.4 Ų | 145.4 | 61% | 0.608 | 73% | 0.734 | S | S | * | * | trans | -55.7 | 146.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 406 | S | 46.9 | Very low | 45.7 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 66% | 0.657 | 73% | 0.726 | S | S | * | * | trans | 90.5 | 96.1 | 157 | -159 | 0 | 0 | 0 | 0 | 116 | W401 | W401-S406 VanDerWaalsContact CZ3-CA 3.49Š| ||
| 407 | T | 51.5 | Low | 45.3 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 57% | 0.571 | 72% | 0.721 | S | S | * | * | trans | -106.9 | 156.1 | 150.1 | 51.4 | 0 | 0 | 0 | 0 | 111.3 | E409 | T407-E409 VanDerWaalsContact C-N 3.3Å; T407-E409 PolarHBondContact O-N 3.14Å | ||
| 408 | E | 51.4 | Low | 45 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -1 | -147.4 | -82.5 | 162.5 | 123.1 | 0 | 0 | 119.7 | ||
| 409 | E | 47.4 | Very low | 44.3 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 51% | 0.509 | 73% | 0.73 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.5 | -3.4 | -172.9 | -68.8 | -63.8 | 137.9 | 0 | 0 | 114.5 | M397 T407 A411 | M397-E409 HydrophobicContact CE-CB 3.94Å; M397-E409 HydrophobicContact CE-CG 3.79Å; T407-E409 VanDerWaalsContact C-N 3.3Å; T407-E409 PolarHBondContact O-N 3.14Å; E409-A411 VanDerWaalsContact C-N 3.26Å; E409-A411 PolarHBondContact O-N 3.41Å |
| 410 | G | 49.7 | Very low | 43.6 | Very low | 69 Ų | 69 | 139.9 Ų | 139.9 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 0.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 411 | A | 52 | Low | 42.6 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 8.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E409 | E409-A411 VanDerWaalsContact C-N 3.26Å; E409-A411 PolarHBondContact O-N 3.41Å |
| 412 | R | 49.6 | Very low | 42.3 | Very low | 199 Ų | 199 | 132.5 Ų | 132.5 | 75% | 0.751 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -127.3 | 103.5 | 179.9 | -80.8 | -179.6 | 166.6 | 160.9 | -3.5 | 113.2 | ||
| 413 | L | 43.5 | Very low | 42 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | 75.2 | 90.4 | 144.9 | -64.7 | 152.9 | 0 | 0 | 0 | 115.4 | ||||
| 414 | E | 42 | Very low | 41.7 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | 59.6 | 105 | 79.7 | -68.4 | -123.6 | 153.9 | 0 | 0 | 115 | |||||
| 415 | K | 42.4 | Very low | 41.1 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 57.7 | 114.6 | 137.7 | -64.8 | 174.4 | -172.2 | 132.1 | 0 | 118.3 | ||||
| 416 | A | 30.3 | Very low | 40.6 | Very low | 85 Ų | 85 | 136.4 Ų | 136.4 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | -177.4 | 114.9 | 109.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 417 | K | 33.3 | Very low | 40.1 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | 86.2 | 109.5 | 100.8 | -75.7 | 179.6 | 175.9 | 178.1 | 0 | 113 | |||||
| 418 | N | 35.8 | Very low | 39.4 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | 79.5 | 76.6 | 137.1 | -49.7 | -14.8 | 0 | 0 | 0 | 117.5 | ||||
| 419 | A | 29.5 | Very low | 38.6 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | trans | -122.6 | 107.8 | 143.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 420 | K | 32.8 | Very low | 38.2 | Very low | 197 Ų | 197 | 142.4 Ų | 142.4 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | -83.7 | 134.2 | 168.2 | -155.8 | 176 | -175.9 | -177.3 | 0 | 104.4 | ||||
| 421 | V | 30.1 | Very low | 37.3 | Very low | 118 Ų | 118 | 148.3 Ų | 148.3 | 72% | 0.715 | 80% | 0.797 | S | S | * | * | -179 | 127.7 | 93.6 | 156.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 422 | S | 36.8 | Very low | 36.7 | Very low | 100 Ų | 100 | 151.7 Ų | 151.7 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | 38.5 | 131.4 | 146.6 | 72.1 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 423 | V | 36.5 | Very low | 36.1 | Very low | 141 Ų | 141 | 151.2 Ų | 151.2 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -135.7 | 144.5 | 137.5 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 424 | P | 41.4 | Very low | 35.8 | Very low | 121 Ų | 121 | 155.4 Ų | 155.4 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -78 | 164.4 | -152.8 | -13.8 | 30.2 | 0 | 0 | 0 | 116.7 | ||||
| 425 | E | 34.3 | Very low | 35.6 | Very low | 181 Ų | 181 | 154.1 Ų | 154.1 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -55.3 | 124.4 | 177.3 | -70.1 | 166.8 | 133.8 | 0 | 0 | 113.7 | ||||
| 426 | D | 35.1 | Very low | 35.7 | Very low | 165 Ų | 165 | 156.9 Ų | 156.9 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | -111.7 | 130.4 | 143.1 | -82.5 | -40.2 | 0 | 0 | 0 | 107.5 | E428 | D426-E428 PolarHBondContact O-N 3.15Š| ||
| 427 | V | 35.7 | Very low | 36.2 | Very low | 131 Ų | 131 | 159.2 Ų | 159.2 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | -69.5 | 109 | -170.7 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 428 | E | 36.9 | Very low | 36.6 | Very low | 190 Ų | 190 | 159.7 Ų | 159.7 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 119.8 | 159.9 | -90.3 | -177.4 | 156.7 | 0 | 0 | 109.7 | D426 | D426-E428 PolarHBondContact O-N 3.15Š|
| 429 | E | 34.6 | Very low | 36.9 | Very low | 178 Ų | 178 | 158.3 Ų | 158.3 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 154.5 | 159.5 | -91.2 | -166.6 | 179.9 | 0 | 0 | 110.2 | ||
| 430 | P | 38.9 | Very low | 37.4 | Very low | 101 Ų | 101 | 158 Ų | 158 | 66% | 0.656 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | -97.4 | 144.3 | -116.8 | 33.1 | -37.1 | 0 | 0 | 0 | 116 | I432 | P430-I432 PolarHBondContact O-N 2.94Å; P430-I432 VanDerWaalsContact O-N 3.11Å | |
| 431 | M | 32.3 | Very low | 37.5 | Very low | 193 Ų | 193 | 153.8 Ų | 153.8 | 95% | 0.951 | 82% | 0.822 | S | S | * | * | trans | -67.9 | 102.6 | 163.6 | -75.1 | -177.2 | 72 | 0 | 0 | 111 | ||||
| 432 | I | 38.1 | Very low | 38.2 | Very low | 158 Ų | 158 | 155.3 Ų | 155.3 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 129.2 | 172.5 | -63.4 | 169.5 | 0 | 0 | 0 | 109.9 | P430 | P430-I432 PolarHBondContact O-N 2.94Å; P430-I432 VanDerWaalsContact O-N 3.11Å |
| 433 | K | 37 | Very low | 38.2 | Very low | 190 Ų | 190 | 157.9 Ų | 157.9 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 132.1 | 172.7 | -72.2 | 174.7 | 175.9 | 174.7 | 0 | 112.2 | P435 | K433-P435 WeakPolarHBondContact O-CD 3.49Š|
| 434 | R | 37 | Very low | 38.2 | Very low | 245 Ų | 245 | 162.1 Ų | 162.1 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 124.7 | 167.3 | -99.2 | -178.8 | 177.3 | 176.2 | -0.2 | 111.2 | ||
| 435 | P | 38.8 | Very low | 38.3 | Very low | 123 Ų | 123 | 164.8 Ų | 164.8 | 80% | 0.799 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 148.8 | 168 | -7.2 | 24.8 | 0 | 0 | 0 | 111.6 | K433 | K433-P435 WeakPolarHBondContact O-CD 3.49Š|
| 436 | R | 45.1 | Very low | 39 | Very low | 231 Ų | 231 | 160.9 Ų | 160.9 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 150.9 | 168.7 | -72.2 | 179.2 | 178.5 | -177.8 | -1.2 | 111.3 | K438 | R436-K438 PolarHBondContact O-N 2.83Š|
| 437 | P | 40.6 | Very low | 39.6 | Very low | 133 Ų | 133 | 158.2 Ų | 158.2 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 132 | -176.7 | 27 | -32.3 | 0 | 0 | 0 | 111.6 | ||
| 438 | K | 41.3 | Very low | 40.3 | Very low | 195 Ų | 195 | 158.6 Ų | 158.6 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 149.6 | 166.2 | -79.8 | -176.1 | 178.6 | 179.5 | 0 | 109.5 | R436 | R436-K438 PolarHBondContact O-N 2.83Š|
| 439 | P | 42.5 | Very low | 41 | Very low | 128 Ų | 128 | 158.7 Ų | 158.7 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66 | 151.3 | -176.2 | 27.9 | -34 | 0 | 0 | 0 | 112 | S441 | P439-S441 PolarHBondContact O-N 3.1Š|
| 440 | A | 39.1 | Very low | 41.5 | Very low | 99 Ų | 99 | 161.1 Ų | 161.1 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 129.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N442 | A440-N442 PolarHBondContact O-N 3.27Š|
| 441 | S | 35.2 | Very low | 41.8 | Very low | 109 Ų | 109 | 162.6 Ų | 162.6 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -77.3 | 114.3 | 168.6 | 62.3 | 0 | 0 | 0 | 0 | 110 | P439 N443 | P439-S441 PolarHBondContact O-N 3.1Å; S441-N443 PolarHBondContact O-N 3.36Å; S441-N443 VanDerWaalsContact O-N 3.1Å | ||
| 442 | N | 44.3 | Very low | 42.8 | Very low | 149 Ų | 149 | 156.5 Ų | 156.5 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -71.1 | 93.8 | 163.6 | -88.6 | -25.8 | 0 | 0 | 0 | 109.3 | A440 | A440-N442 PolarHBondContact O-N 3.27Š| ||
| 443 | N | 37.3 | Very low | 43.7 | Very low | 155 Ų | 155 | 153 Ų | 153 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | -111.5 | 82.7 | 162.1 | -124.6 | 5.6 | 0 | 0 | 0 | 108.4 | S441 Q445 | S441-N443 PolarHBondContact O-N 3.36Å; S441-N443 VanDerWaalsContact O-N 3.1Å; N443-Q445 PolarHBondContact O-N 3.48Å | ||
| 444 | R | 37.3 | Very low | 44.7 | Very low | 229 Ų | 229 | 148.4 Ų | 148.4 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -73.4 | 98.3 | 165.3 | -74.8 | -178.7 | 174 | 173.2 | -2.1 | 107 | A446 | R444-A446 PolarHBondContact O-N 3.13Š| ||
| 445 | Q | 43.2 | Very low | 45.6 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | trans | -57.1 | 124.3 | 152.4 | -83.3 | 177.7 | -33.6 | 0 | 0 | 106.7 | N443 E447 | N443-Q445 PolarHBondContact O-N 3.48Å; Q445-E447 PolarHBondContact O-N 2.96Å | ||
| 446 | A | 48.5 | Very low | 47 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -70.2 | 83.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | R444 | R444-A446 PolarHBondContact O-N 3.13Š| ||
| 447 | E | 47 | Very low | 48.1 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 51% | 0.509 | 70% | 0.698 | S | S | . | * | trans | -69.2 | 127.5 | 163.7 | -75.5 | -167.8 | 143.6 | 0 | 0 | 108.8 | Q445 K449 K455 | Q445-E447 PolarHBondContact O-N 2.96Å; E447-K449 PolarHBondContact O-N 3.35Å; E447-K449 VanDerWaalsContact O-N 3.1Å; E447-K455 IonicContact OE1-NZ 2.66Å; E447-K455 PolarHBondContact OE1-NZ 3.33Å | ||
| 448 | N | 51.4 | Low | 49.6 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 74% | 0.743 | 68% | 0.677 | S | S | * | * | trans | -54.2 | 115.1 | 176.5 | -70.3 | -21.9 | 0 | 0 | 0 | 110 | W450 Y451 | N448-W450 PolarHBondContact O-N 3.48Å; N448-Y451 PolarHBondContact O-N 2.84Å | ||
| 449 | K | 51 | Low | 50.9 | Low | 192 Ų | 192 | 127.1 Ų | 127.1 | 84% | 0.835 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -0.8 | -168.8 | -70.7 | -178.6 | 179 | 177.2 | 0 | 115.9 | E447 T452 | E447-K449 PolarHBondContact O-N 3.35Å; E447-K449 VanDerWaalsContact O-N 3.1Å; K449-T452 PolarHBondContact O-OG1 2.83Å |
| 450 | W | 46.3 | Very low | 52.4 | Low | 228 Ų | 228 | 123.7 Ų | 123.7 | 86% | 0.864 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -25.2 | 175.7 | -167.1 | 52.4 | 0 | 0 | 0 | 113 | N448 | N448-W450 PolarHBondContact O-N 3.48Š|
| 451 | Y | 44 | Very low | 54 | Low | 132 Ų | 132 | 123.9 Ų | 123.9 | 52% | 0.518 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -93.2 | -5.3 | -174.4 | -158.3 | -109.5 | 0 | 0 | 0 | 113.5 | N448 K455 | N448-Y451 PolarHBondContact O-N 2.84Å; Y451-K455 HydrophobicContact CD1-CB 3.59Å; Y451-K455 HydrophobicContact CD1-CD 3.83Å; Y451-K455 HydrophobicContact CD1-CG 4.07Å; Y451-K455 HydrophobicContact CE1-CB 3.7Å; Y451-K455 HydrophobicContact CE1-CD 4.01Å; Y451-K455 HydrophobicContact CE1-CG 3.95Å; Y451-K455 WeakPolarHBondContact O-CB 3.43Å; Y451-K455 PolarHBondContact O-N 3.09Å |
| 452 | T | 54.8 | Low | 55.5 | Low | 65 Ų | 65 | 125 Ų | 125 | 40% | 0.399 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -73.6 | -36.6 | -168.7 | 58.6 | 0 | 0 | 0 | 0 | 116.2 | K449 G456 | K449-T452 PolarHBondContact O-OG1 2.83Å; T452-G456 PolarHBondContact O-N 2.95Å |
| 453 | P | 56.7 | Low | 56.8 | Low | 84 Ų | 84 | 120.4 Ų | 120.4 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -75.1 | -28.9 | 176.9 | 27.2 | -30.4 | 0 | 0 | 0 | 112.1 | R457 | P453-R457 WeakPolarHBondContact O-CG 3.25Å; P453-R457 PolarHBondContact O-N 2.6Å |
| 454 | I | 57.3 | Low | 58.4 | Low | 94 Ų | 94 | 118.3 Ų | 118.3 | 48% | 0.482 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -80.1 | -44.4 | 179.1 | -57 | 171 | 0 | 0 | 0 | 109.9 | R457 L458 | I454-R457 PolarHBondContact O-N 2.95Å; I454-L458 HydrophobicContact CG2-CD1 3.86Å; I454-L458 HydrophobicContact CG2-CG 4.46Å; I454-L458 WeakPolarHBondContact O-CB 3.45Å; I454-L458 WeakPolarHBondContact O-CG 3.23Å; I454-L458 PolarHBondContact O-N 2.79Å |
| 455 | K | 56.5 | Low | 59.9 | Low | 67 Ų | 67 | 112.5 Ų | 112.5 | 29% | 0.291 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.8 | -43.5 | 175.2 | -169.4 | 176.7 | 176.8 | -179.8 | 0 | 112.3 | E447 Y451 R457 L458 D459 | E447-K455 IonicContact OE1-NZ 2.66Å; E447-K455 PolarHBondContact OE1-NZ 3.33Å; Y451-K455 HydrophobicContact CD1-CB 3.59Å; Y451-K455 HydrophobicContact CD1-CD 3.83Å; Y451-K455 HydrophobicContact CD1-CG 4.07Å; Y451-K455 HydrophobicContact CE1-CB 3.7Å; Y451-K455 HydrophobicContact CE1-CD 4.01Å; Y451-K455 HydrophobicContact CE1-CG 3.95Å; Y451-K455 WeakPolarHBondContact O-CB 3.43Å; Y451-K455 PolarHBondContact O-N 3.09Å; K455-R457 VanDerWaalsContact C-N 3.3Å; K455-R457 PolarHBondContact O-N 2.89Å; K455-L458 PolarHBondContact O-N 3.1Å; K455-D459 VanDerWaalsContact O-CB 3.27Å; K455-D459 WeakPolarHBondContact O-CB 3.26Å; K455-D459 PolarHBondContact O-N 2.83Å |
| 456 | G | 67.1 | Low | 61 | Low | 43 Ų | 43 | 111 Ų | 111 | 44% | 0.443 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63 | -35.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T452 A460 | T452-G456 PolarHBondContact O-N 2.95Å; G456-A460 VanDerWaalsContact O-CB 3.31Å; G456-A460 WeakPolarHBondContact O-CB 3.27Å; G456-A460 PolarHBondContact O-N 3.19Å |
| 457 | R | 69.4 | Low | 61.7 | Low | 201 Ų | 201 | 115.5 Ų | 115.5 | 76% | 0.758 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -76 | -37.9 | 175.4 | -71.9 | -170.1 | 179.8 | -152.9 | 2.3 | 112.7 | P453 I454 K455 A460 L461 | P453-R457 WeakPolarHBondContact O-CG 3.25Å; P453-R457 PolarHBondContact O-N 2.6Å; I454-R457 PolarHBondContact O-N 2.95Å; K455-R457 VanDerWaalsContact C-N 3.3Å; K455-R457 PolarHBondContact O-N 2.89Å; R457-A460 PolarHBondContact O-N 3.45Å; R457-L461 WeakPolarHBondContact O-CB 3.41Å; R457-L461 PolarHBondContact O-N 3.26Å |
| 458 | L | 72.4 | Confident | 62.2 | Low | 84 Ų | 84 | 116.1 Ų | 116.1 | 44% | 0.44 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.7 | -41.2 | 173.6 | -76.4 | 169.8 | 0 | 0 | 0 | 111.8 | I454 K455 A460 L461 W462 | I454-L458 HydrophobicContact CG2-CD1 3.86Å; I454-L458 HydrophobicContact CG2-CG 4.46Å; I454-L458 WeakPolarHBondContact O-CB 3.45Å; I454-L458 WeakPolarHBondContact O-CG 3.23Å; I454-L458 PolarHBondContact O-N 2.79Å; K455-L458 PolarHBondContact O-N 3.1Å; L458-A460 VanDerWaalsContact C-N 3.35Å; L458-L461 WeakPolarHBondContact O-CB 3.07Å; L458-L461 PolarHBondContact O-N 3.02Å; L458-W462 WeakPolarHBondContact O-CB 3.38Å; L458-W462 PolarHBondContact O-N 3.19Å |
| 459 | D | 68 | Low | 62.8 | Low | 86 Ų | 86 | 114.8 Ų | 114.8 | 46% | 0.46 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.8 | -34.8 | 176 | -77.9 | -19.5 | 0 | 0 | 0 | 111.5 | K455 W462 A463 | K455-D459 VanDerWaalsContact O-CB 3.27Å; K455-D459 WeakPolarHBondContact O-CB 3.26Å; K455-D459 PolarHBondContact O-N 2.83Å; D459-W462 PolarHBondContact O-N 2.91Å; D459-A463 WeakPolarHBondContact O-CB 3.47Å; D459-A463 PolarHBondContact O-N 3.17Å |
| 460 | A | 73.6 | Confident | 63 | Low | 55 Ų | 55 | 109.9 Ų | 109.9 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G456 R457 L458 A463 L464 | G456-A460 VanDerWaalsContact O-CB 3.31Å; G456-A460 WeakPolarHBondContact O-CB 3.27Å; G456-A460 PolarHBondContact O-N 3.19Å; R457-A460 PolarHBondContact O-N 3.45Å; L458-A460 VanDerWaalsContact C-N 3.35Å; A460-A463 PolarHBondContact O-N 3.38Å; A460-L464 PolarHBondContact O-N 2.97Å |
| 461 | L | 71.7 | Confident | 63.6 | Low | 104 Ų | 104 | 108.5 Ų | 108.5 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -44 | 172.4 | -100.6 | 157.8 | 0 | 0 | 0 | 111.7 | R457 L458 A463 L464 L465 | R457-L461 WeakPolarHBondContact O-CB 3.41Å; R457-L461 PolarHBondContact O-N 3.26Å; L458-L461 WeakPolarHBondContact O-CB 3.07Å; L458-L461 PolarHBondContact O-N 3.02Å; L461-A463 VanDerWaalsContact C-N 3.34Å; L461-A463 PolarHBondContact O-N 3.18Å; L461-L464 PolarHBondContact O-N 3.26Å; L461-L465 WeakPolarHBondContact O-CB 2.79Å; L461-L465 WeakPolarHBondContact O-CG 3.4Å; L461-L465 PolarHBondContact O-N 3.04Å |
| 462 | W | 67.2 | Low | 64 | Low | 132 Ų | 132 | 104.5 Ų | 104.5 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 175.4 | -123.2 | 113.2 | 0 | 0 | 0 | 111.4 | L458 D459 L465 R466 | L458-W462 WeakPolarHBondContact O-CB 3.38Å; L458-W462 PolarHBondContact O-N 3.19Å; D459-W462 PolarHBondContact O-N 2.91Å; W462-L465 PolarHBondContact O-N 3.3Å; W462-R466 HydrophobicContact CE3-CG 3.59Å; W462-R466 HydrophobicContact CZ3-CG 3.51Å; W462-R466 WeakPolarHBondContact O-CB 3.33Å; W462-R466 PolarHBondContact O-N 3.09Å |
| 463 | A | 71.9 | Confident | 63.7 | Low | 52 Ų | 52 | 103.8 Ų | 103.8 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.3 | -36.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D459 A460 L461 R467 | D459-A463 WeakPolarHBondContact O-CB 3.47Å; D459-A463 PolarHBondContact O-N 3.17Å; A460-A463 PolarHBondContact O-N 3.38Å; L461-A463 VanDerWaalsContact C-N 3.34Å; L461-A463 PolarHBondContact O-N 3.18Å; A463-R467 WeakPolarHBondContact O-CB 3.5Å; A463-R467 PolarHBondContact O-N 3.04Å |
| 464 | L | 70.8 | Confident | 63.4 | Low | 111 Ų | 111 | 107.1 Ų | 107.1 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.5 | -44 | 172 | -99.5 | 157.2 | 0 | 0 | 0 | 111.7 | A460 L461 R467 Q468 | A460-L464 PolarHBondContact O-N 2.97Å; L461-L464 PolarHBondContact O-N 3.26Å; L464-R467 PolarHBondContact O-N 2.92Å; L464-Q468 WeakPolarHBondContact O-CB 3.36Å; L464-Q468 WeakPolarHBondContact O-CG 3.34Å; L464-Q468 PolarHBondContact O-N 2.64Å |
| 465 | L | 68.3 | Low | 63.1 | Low | 108 Ų | 108 | 110.3 Ų | 110.3 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.5 | -40.8 | 175.3 | -75.6 | 165.1 | 0 | 0 | 0 | 111.9 | L461 W462 Q468 Y469 | L461-L465 WeakPolarHBondContact O-CB 2.79Å; L461-L465 WeakPolarHBondContact O-CG 3.4Å; L461-L465 PolarHBondContact O-N 3.04Å; W462-L465 PolarHBondContact O-N 3.3Å; L465-Q468 PolarHBondContact O-N 3.23Å; L465-Y469 VanDerWaalsContact O-CB 3.24Å; L465-Y469 WeakPolarHBondContact O-CB 3.03Å; L465-Y469 PolarHBondContact O-N 3.14Å |
| 466 | R | 66.4 | Low | 62.6 | Low | 145 Ų | 145 | 115.5 Ų | 115.5 | 55% | 0.547 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64 | -42.2 | 171.7 | -87.3 | 175.4 | -160.6 | 168.5 | 7 | 112.4 | W462 Q468 Y469 D470 | W462-R466 HydrophobicContact CE3-CG 3.59Å; W462-R466 HydrophobicContact CZ3-CG 3.51Å; W462-R466 WeakPolarHBondContact O-CB 3.33Å; W462-R466 PolarHBondContact O-N 3.09Å; R466-Q468 VanDerWaalsContact C-N 3.32Å; R466-Q468 PolarHBondContact O-N 3.44Å; R466-Y469 CarbonylContact O-C 3.54Å; R466-Y469 PolarHBondContact O-N 3.45Å; R466-D470 WeakPolarHBondContact O-CB 3.49Å; R466-D470 PolarHBondContact O-N 3.19Å |
| 467 | R | 63.6 | Low | 61.8 | Low | 194 Ų | 194 | 117.3 Ų | 117.3 | 73% | 0.732 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.1 | -36 | 176.8 | -90.4 | -179 | 167.4 | 172.4 | -2.3 | 112.9 | A463 L464 R471 | A463-R467 WeakPolarHBondContact O-CB 3.5Å; A463-R467 PolarHBondContact O-N 3.04Å; L464-R467 PolarHBondContact O-N 2.92Å; R467-R471 WeakPolarHBondContact O-CB 3.36Å; R467-R471 WeakPolarHBondContact O-CG 3.31Å; R467-R471 PolarHBondContact O-N 2.95Å; R467-R471 VanDerWaalsContact O-N 3.17Å |
| 468 | Q | 58.8 | Low | 61.1 | Low | 122 Ų | 122 | 112.1 Ų | 112.1 | 57% | 0.57 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.1 | -45.5 | 171.2 | -79.3 | -84.1 | -14.6 | 0 | 0 | 110.6 | L464 L465 R466 R471 V472 | L464-Q468 WeakPolarHBondContact O-CB 3.36Å; L464-Q468 WeakPolarHBondContact O-CG 3.34Å; L464-Q468 PolarHBondContact O-N 2.64Å; L465-Q468 PolarHBondContact O-N 3.23Å; R466-Q468 VanDerWaalsContact C-N 3.32Å; R466-Q468 PolarHBondContact O-N 3.44Å; Q468-R471 PolarHBondContact O-N 3.06Å; Q468-V472 WeakPolarHBondContact O-CB 3.43Å; Q468-V472 VanDerWaalsContact O-CG2 3.25Å; Q468-V472 WeakPolarHBondContact O-CG2 3.35Å; Q468-V472 PolarHBondContact O-N 3.09Å |
| 469 | Y | 62.1 | Low | 60.1 | Low | 111 Ų | 111 | 114.5 Ų | 114.5 | 44% | 0.435 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.4 | -44.9 | 176.8 | -173.9 | -91.9 | 0 | 0 | 0 | 112.2 | W343 L465 R466 V472 S473 | W343-Y469 HydrophobicContact CZ2-CD2 4.04Å; W343-Y469 HydrophobicContact CZ2-CE2 4.22Å; L465-Y469 VanDerWaalsContact O-CB 3.24Å; L465-Y469 WeakPolarHBondContact O-CB 3.03Å; L465-Y469 PolarHBondContact O-N 3.14Å; R466-Y469 CarbonylContact O-C 3.54Å; R466-Y469 PolarHBondContact O-N 3.45Å; Y469-V472 CarbonylContact O-C 3.57Å; Y469-V472 WeakPolarHBondContact O-CB 3.17Å; Y469-V472 PolarHBondContact O-N 3.29Å; Y469-V472 VanDerWaalsContact O-N 3.16Å; Y469-S473 VanDerWaalsContact O-CB 3.24Å; Y469-S473 WeakPolarHBondContact O-CB 3.33Å; Y469-S473 PolarHBondContact O-N 3.24Å; Y469-S473 PolarHBondContact O-OG 3.09Å |
| 470 | D | 56.1 | Low | 59.3 | Low | 90 Ų | 90 | 114.6 Ų | 114.6 | 48% | 0.481 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.1 | -35.3 | 179.3 | -75.3 | -19 | 0 | 0 | 0 | 112.2 | R466 V472 S473 L474 | R466-D470 WeakPolarHBondContact O-CB 3.49Å; R466-D470 PolarHBondContact O-N 3.19Å; D470-V472 VanDerWaalsContact C-N 3.27Å; D470-V472 PolarHBondContact O-N 2.71Å; D470-S473 WeakPolarHBondContact CA-OG 3.45Å; D470-S473 PolarHBondContact O-OG 3.25Å; D470-L474 WeakPolarHBondContact O-CG 3.42Å; D470-L474 PolarHBondContact O-N 2.68Å |
| 471 | R | 59.4 | Low | 58.3 | Low | 199 Ų | 199 | 117 Ų | 117 | 75% | 0.751 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66 | -32.2 | 171.3 | -85.8 | -170.8 | 168.7 | -169.8 | -1.7 | 112.4 | R467 Q468 | R467-R471 WeakPolarHBondContact O-CB 3.36Å; R467-R471 WeakPolarHBondContact O-CG 3.31Å; R467-R471 PolarHBondContact O-N 2.95Å; R467-R471 VanDerWaalsContact O-N 3.17Å; Q468-R471 PolarHBondContact O-N 3.06Å |
| 472 | V | 52.2 | Low | 56.8 | Low | 48 Ų | 48 | 121.3 Ų | 121.3 | 29% | 0.291 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -83.1 | -37 | 178.3 | 160.9 | 0 | 0 | 0 | 0 | 111.9 | L347 Q468 Y469 D470 L474 M475 | L347-V472 HydrophobicContact CD1-CG1 4Å; L347-V472 HydrophobicContact CD2-CB 4.18Å; L347-V472 HydrophobicContact CD2-CG1 3.18Å; L347-V472 HydrophobicContact CD2-CG2 3.98Å; L347-V472 HydrophobicContact CG-CG1 3.84Å; Q468-V472 WeakPolarHBondContact O-CB 3.43Å; Q468-V472 VanDerWaalsContact O-CG2 3.25Å; Q468-V472 WeakPolarHBondContact O-CG2 3.35Å; Q468-V472 PolarHBondContact O-N 3.09Å; Y469-V472 CarbonylContact O-C 3.57Å; Y469-V472 WeakPolarHBondContact O-CB 3.17Å; Y469-V472 PolarHBondContact O-N 3.29Å; Y469-V472 VanDerWaalsContact O-N 3.16Å; D470-V472 VanDerWaalsContact C-N 3.27Å; D470-V472 PolarHBondContact O-N 2.71Å; V472-L474 VanDerWaalsContact C-N 3.33Å; V472-L474 PolarHBondContact O-N 3.21Å; V472-M475 WeakPolarHBondContact O-CB 3.25Å; V472-M475 PolarHBondContact O-N 3.32Å |
| 473 | S | 48.1 | Very low | 56 | Low | 49 Ų | 49 | 118.7 Ų | 118.7 | 34% | 0.343 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -76.7 | -21.2 | -174.7 | 67.8 | 0 | 0 | 0 | 0 | 112.7 | Y469 D470 M475 R476 | Y469-S473 VanDerWaalsContact O-CB 3.24Å; Y469-S473 WeakPolarHBondContact O-CB 3.33Å; Y469-S473 PolarHBondContact O-N 3.24Å; Y469-S473 PolarHBondContact O-OG 3.09Å; D470-S473 WeakPolarHBondContact CA-OG 3.45Å; D470-S473 PolarHBondContact O-OG 3.25Å; S473-M475 PolarHBondContact O-N 3.42Å; S473-R476 PolarHBondContact O-N 3.27Å |
| 474 | L | 51.3 | Low | 54.7 | Low | 155 Ų | 155 | 127.7 Ų | 127.7 | 81% | 0.812 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -10 | 165.5 | -78.7 | 165.4 | 0 | 0 | 0 | 113.2 | D470 V472 | D470-L474 WeakPolarHBondContact O-CG 3.42Å; D470-L474 PolarHBondContact O-N 2.68Å; V472-L474 VanDerWaalsContact C-N 3.33Å; V472-L474 PolarHBondContact O-N 3.21Å |
| 475 | M | 49.7 | Very low | 53.4 | Low | 161 Ų | 161 | 127.7 Ų | 127.7 | 79% | 0.793 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 9.9 | 175.6 | -61.3 | -154.2 | 178.2 | 0 | 0 | 113.9 | V472 S473 P477 | V472-M475 WeakPolarHBondContact O-CB 3.25Å; V472-M475 PolarHBondContact O-N 3.32Å; S473-M475 PolarHBondContact O-N 3.42Å; M475-P477 WeakPolarHBondContact O-CD 3.41Å |
| 476 | R | 46.1 | Very low | 52.3 | Low | 175 Ų | 175 | 127.4 Ų | 127.4 | 66% | 0.66 | 65% | 0.653 | S | S | * | * | trans | -80.9 | 115.5 | 172.5 | -176.8 | 178.4 | -101.8 | 173.2 | -5.6 | 108.8 | S473 T478 | S473-R476 PolarHBondContact O-N 3.27Å; R476-T478 PolarHBondContact O-N 3.37Å | ||
| 477 | P | 51.6 | Low | 50.8 | Low | 81 Ų | 81 | 127.7 Ų | 127.7 | 53% | 0.526 | 67% | 0.666 | S | S | . | * | trans | -64.2 | 125.4 | 171.1 | 4.9 | 4.2 | 0 | 0 | 0 | 108.3 | M475 D481 | M475-P477 WeakPolarHBondContact O-CD 3.41Å; P477-D481 HydrophobicContact CB-CB 4.37Å | ||
| 478 | T | 54.3 | Low | 49.6 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 56% | 0.564 | 67% | 0.667 | S | S | * | * | trans | -62.2 | 150.6 | 163.7 | 20.4 | 0 | 0 | 0 | 0 | 108.9 | R476 A480 D481 | R476-T478 PolarHBondContact O-N 3.37Å; T478-A480 PolarHBondContact O-N 2.84Å; T478-D481 PolarHBondContact O-N 3.48Å; T478-D481 PolarHBondContact OG1-OD2 2.95Å | ||
| 479 | S | 50.3 | Low | 48.5 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 94% | 0.944 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -7.6 | -178.9 | 54.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 480 | A | 52.3 | Low | 47.3 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -14 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T478 Q482 | T478-A480 PolarHBondContact O-N 2.84Å; A480-Q482 PolarHBondContact O-N 3.42Å |
| 481 | D | 52.3 | Low | 46.3 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 57% | 0.567 | 72% | 0.717 | S | S | * | * | trans | -102.8 | 76.5 | -176 | -68.4 | -45.3 | 0 | 0 | 0 | 111.4 | P477 T478 | P477-D481 HydrophobicContact CB-CB 4.37Å; T478-D481 PolarHBondContact O-N 3.48Å; T478-D481 PolarHBondContact OG1-OD2 2.95Å | ||
| 482 | Q | 40.1 | Very low | 45.2 | Very low | 194 Ų | 194 | 132.7 Ų | 132.7 | 91% | 0.907 | 72% | 0.718 | S | S | * | * | trans | -97.5 | 121.8 | 159.1 | -74.6 | -172.9 | -16 | 0 | 0 | 109.3 | A480 | A480-Q482 PolarHBondContact O-N 3.42Š| ||
| 483 | G | 51 | Low | 44.4 | Very low | 77 Ų | 77 | 139.4 Ų | 139.4 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 106.3 | 27.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 484 | R | 44.2 | Very low | 43.7 | Very low | 241 Ų | 241 | 146.1 Ų | 146.1 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | -130.9 | 112.1 | 169.4 | -65.2 | -172.4 | -161.8 | -159.9 | 5.1 | 113.5 | ||||
| 485 | C | 43 | Very low | 43.1 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | trans | -75.9 | 120.5 | 165 | -70.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 486 | V | 44.9 | Very low | 42.4 | Very low | 102 Ų | 102 | 143 Ų | 143 | 62% | 0.618 | 77% | 0.772 | S | S | * | * | trans | -90 | 115.5 | 174.3 | -167.8 | 0 | 0 | 0 | 0 | 108.9 | F488 | V486-F488 HydrophobicContact CB-CD2 4.5Å; V486-F488 HydrophobicContact CB-CE2 3.85Å; V486-F488 HydrophobicContact CB-CZ 4.12Å; V486-F488 HydrophobicContact CG1-CD1 4.31Å; V486-F488 HydrophobicContact CG1-CD2 4.03Å; V486-F488 HydrophobicContact CG1-CE1 3.74Å; V486-F488 HydrophobicContact CG1-CE2 3.41Å; V486-F488 VanDerWaalsContact CG1-CE2 3.41Å; V486-F488 HydrophobicContact CG1-CG 4.45Å; V486-F488 HydrophobicContact CG1-CZ 3.26Å | ||
| 487 | N | 35.3 | Very low | 41.8 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -96.6 | 120.9 | 176.8 | -155.1 | 4.2 | 0 | 0 | 0 | 109 | ||||
| 488 | F | 39.4 | Very low | 41.2 | Very low | 171 Ų | 171 | 148.9 Ų | 148.9 | 75% | 0.75 | 80% | 0.8 | S | S | * | * | trans | -109.7 | 109.6 | -178.6 | -67.5 | -77 | 0 | 0 | 0 | 110.9 | V486 | V486-F488 HydrophobicContact CB-CD2 4.5Å; V486-F488 HydrophobicContact CB-CE2 3.85Å; V486-F488 HydrophobicContact CB-CZ 4.12Å; V486-F488 HydrophobicContact CG1-CD1 4.31Å; V486-F488 HydrophobicContact CG1-CD2 4.03Å; V486-F488 HydrophobicContact CG1-CE1 3.74Å; V486-F488 HydrophobicContact CG1-CE2 3.41Å; V486-F488 VanDerWaalsContact CG1-CE2 3.41Å; V486-F488 HydrophobicContact CG1-CG 4.45Å; V486-F488 HydrophobicContact CG1-CZ 3.26Å | ||
| 489 | N | 35 | Very low | 40.4 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 124.6 | 162.6 | -85.2 | -10 | 0 | 0 | 0 | 109.5 | ||
| 490 | R | 36.8 | Very low | 39.6 | Very low | 245 Ų | 245 | 154.6 Ų | 154.6 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 123.8 | 172.1 | -80.3 | -179 | 174.8 | 165.6 | -0.5 | 109.8 | ||
| 491 | V | 34.5 | Very low | 38.9 | Very low | 132 Ų | 132 | 157.9 Ų | 157.9 | 80% | 0.8 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -85 | 128.3 | 166.3 | -173.4 | 0 | 0 | 0 | 0 | 108.4 | ||
| 492 | P | 37.4 | Very low | 38.2 | Very low | 118 Ų | 118 | 160.6 Ų | 160.6 | 77% | 0.766 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 135.6 | 177.6 | 25.6 | -26.2 | 0 | 0 | 0 | 111.8 | ||
| 493 | H | 34.7 | Very low | 38.1 | Very low | 189 Ų | 189 | 158.8 Ų | 158.8 | 88% | 0.875 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 124.1 | 177.7 | -116.5 | -81.2 | 0 | 0 | 0 | 111 | ||
| 494 | Q | 34 | Very low | 37.4 | Very low | 189 Ų | 189 | 163.6 Ų | 163.6 | 88% | 0.883 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 135 | 167.2 | -87.6 | -175.7 | -29.9 | 0 | 0 | 110.9 | ||
| 495 | V | 39 | Very low | 36.9 | Very low | 138 Ų | 138 | 158.8 Ų | 158.8 | 84% | 0.836 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -95 | 122 | 178.4 | 176.9 | 0 | 0 | 0 | 0 | 109 | ||
| 496 | S | 34.9 | Very low | 36.5 | Very low | 112 Ų | 112 | 161.9 Ų | 161.9 | 78% | 0.783 | 85% | 0.85 | S | S | * | * | trans | -104.1 | 116.5 | 167.8 | 42.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 497 | R | 32.9 | Very low | 35.9 | Very low | 239 Ų | 239 | 166.2 Ų | 166.2 | 90% | 0.902 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 139 | 171.5 | -84 | 174.7 | 168.3 | 163.8 | -4.7 | 110.7 | ||
| 498 | T | 38.8 | Very low | 36 | Very low | 141 Ų | 141 | 167.4 Ų | 167.4 | 87% | 0.865 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 123.9 | 165.4 | -30.4 | 0 | 0 | 0 | 0 | 108.2 | ||
| 499 | T | 37.5 | Very low | 35.7 | Very low | 129 Ų | 129 | 167.1 Ų | 167.1 | 79% | 0.791 | 88% | 0.881 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 119 | 164.8 | 40.2 | 0 | 0 | 0 | 0 | 109 | ||
| 500 | V | 32.9 | Very low | 35.8 | Very low | 218 Ų | 218 | 168.2 Ų | 168.2 | 100% | 1.321 | 89% | 0.886 | S | S | * | * | -138.8 | 0 | 112.9 | 175.4 | 0 | 0 | 0 | 0 | 106.3 |
Retrieved 500 of 500 residues in 3062.6 ms
(Link to these results)