| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.2 | Very low | 44 | Very low | 241 Ų | 241 | 165 Ų | 165 | 100% | 1.187 | 83% | 0.825 | S | S | * | * | 0 | 66.3 | 0 | -80.8 | -171.3 | 152.8 | 0 | 0 | 110.9 | |||||
| 2 | H | 34.7 | Very low | 44.7 | Very low | 190 Ų | 190 | 159.6 Ų | 159.6 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | trans | -81.5 | 131.7 | 165.3 | -92.1 | -88.3 | 0 | 0 | 0 | 108.3 | ||||
| 3 | K | 39.1 | Very low | 45 | Very low | 208 Ų | 208 | 152.4 Ų | 152.4 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 130.7 | 6.7 | 154.6 | -72.1 | -174.8 | 171.7 | -179.8 | 0 | 120.1 | ||
| 4 | T | 48.5 | Very low | 45.5 | Very low | 133 Ų | 133 | 151.6 Ų | 151.6 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -124.4 | 14.2 | -175.1 | 47.6 | 0 | 0 | 0 | 0 | 118.8 | ||
| 5 | T | 47.6 | Very low | 46.1 | Very low | 94 Ų | 94 | 147.5 Ų | 147.5 | 58% | 0.577 | 77% | 0.765 | S | S | * | * | trans | -122.8 | 37.5 | -169.8 | 49.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 6 | H | 42.9 | Very low | 46.6 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -96.7 | -5.1 | -174.4 | -106.5 | -78.1 | 0 | 0 | 0 | 117.5 | ||
| 7 | H | 45.2 | Very low | 47.3 | Very low | 185 Ų | 185 | 144 Ų | 144 | 86% | 0.856 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -111 | -9.9 | -174.4 | -99.6 | -80 | 0 | 0 | 0 | 117.4 | ||
| 8 | T | 48.8 | Very low | 48.2 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -102.5 | -4.9 | -178.1 | 47 | 0 | 0 | 0 | 0 | 115.2 | ||
| 9 | K | 44.4 | Very low | 49.3 | Very low | 164 Ų | 164 | 138.1 Ų | 138.1 | 71% | 0.713 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -81.1 | -12.3 | -179.3 | -81.2 | -177.1 | 174.2 | -179.8 | 0 | 115.6 | ||
| 10 | K | 44.6 | Very low | 50.2 | Low | 185 Ų | 185 | 136.8 Ų | 136.8 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -83.3 | -18.4 | -175.6 | -86.9 | -176.8 | 174.8 | -179.6 | 0 | 115.6 | S13 | K10-S13 PolarHBondContact O-OG 2.93Å; K10-S13 VanDerWaalsContact O-OG 3.09Å |
| 11 | C | 48.6 | Very low | 51.2 | Low | 113 Ų | 113 | 135.8 Ų | 135.8 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -95.5 | -32.2 | -178.9 | -124.1 | 0 | 0 | 0 | 0 | 113 | S13 H14 | C11-S13 VanDerWaalsContact C-N 3.3Å; C11-S13 PolarHBondContact O-N 3.49Å; C11-H14 PolarHBondContact O-N 3.37Å |
| 12 | C | 51.4 | Low | 52.9 | Low | 100 Ų | 100 | 130.1 Ų | 130.1 | 68% | 0.676 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73.4 | -21.8 | 175.3 | -132.1 | 0 | 0 | 0 | 0 | 112.8 | H14 W16 | C12-H14 VanDerWaalsContact C-N 3.32Å; C12-H14 PolarHBondContact O-N 3.35Å; C12-W16 PolarHBondContact O-N 3.38Å |
| 13 | S | 49 | Very low | 54.9 | Low | 66 Ų | 66 | 127.5 Ų | 127.5 | 46% | 0.462 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -70.4 | -24.8 | 176 | 61 | 0 | 0 | 0 | 0 | 113.4 | K10 C11 S17 | K10-S13 PolarHBondContact O-OG 2.93Å; K10-S13 VanDerWaalsContact O-OG 3.09Å; C11-S13 VanDerWaalsContact C-N 3.3Å; C11-S13 PolarHBondContact O-N 3.49Å; S13-S17 WeakPolarHBondContact O-CB 3.08Å; S13-S17 PolarHBondContact O-N 3.27Å |
| 14 | H | 51.8 | Low | 56.8 | Low | 142 Ų | 142 | 121.4 Ų | 121.4 | 66% | 0.657 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -80.9 | -33.6 | -174.7 | -131.4 | -71.7 | 0 | 0 | 0 | 113.3 | C11 C12 S18 | C11-H14 PolarHBondContact O-N 3.37Å; C12-H14 VanDerWaalsContact C-N 3.32Å; C12-H14 PolarHBondContact O-N 3.35Å; H14-S18 PolarHBondContact O-N 3.45Å; H14-S18 PolarHBondContact O-OG 2.65Å |
| 15 | C | 55.3 | Low | 58.4 | Low | 90 Ų | 90 | 119.9 Ų | 119.9 | 61% | 0.608 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -81.7 | -38.7 | 177.7 | -151.3 | 0 | 0 | 0 | 0 | 111.7 | S17 S18 I19 | C15-S17 VanDerWaalsContact C-N 3.3Å; C15-S17 PolarHBondContact O-N 3.39Å; C15-S18 PolarHBondContact O-N 3.41Å; C15-I19 PolarHBondContact O-N 2.95Å |
| 16 | W | 53.6 | Low | 60.2 | Low | 175 Ų | 175 | 117 Ų | 117 | 66% | 0.663 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.9 | -33.5 | 171.4 | -125.1 | 44.3 | 0 | 0 | 0 | 112.1 | C12 S18 I19 Q20 | C12-W16 PolarHBondContact O-N 3.38Å; W16-S18 PolarHBondContact O-N 3.1Å; W16-I19 PolarHBondContact O-N 3.22Å; W16-Q20 VanDerWaalsContact O-CB 3.28Å; W16-Q20 WeakPolarHBondContact O-CB 3.36Å; W16-Q20 WeakPolarHBondContact O-CG 3.37Å; W16-Q20 PolarHBondContact O-N 2.81Å |
| 17 | S | 58.6 | Low | 62.3 | Low | 60 Ų | 60 | 111.6 Ų | 111.6 | 42% | 0.42 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58 | -43.3 | 172.5 | 168.7 | 0 | 0 | 0 | 0 | 112.4 | S13 C15 Q20 H21 | S13-S17 WeakPolarHBondContact O-CB 3.08Å; S13-S17 PolarHBondContact O-N 3.27Å; C15-S17 VanDerWaalsContact C-N 3.3Å; C15-S17 PolarHBondContact O-N 3.39Å; S17-Q20 PolarHBondContact O-N 2.86Å; S17-H21 VanDerWaalsContact O-CB 3.32Å; S17-H21 WeakPolarHBondContact O-CB 3.43Å; S17-H21 PolarHBondContact O-N 2.85Å |
| 18 | S | 64 | Low | 64.3 | Low | 66 Ų | 66 | 107.7 Ų | 107.7 | 46% | 0.462 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.7 | -41.4 | -178.5 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | H14 C15 W16 H21 I22 | H14-S18 PolarHBondContact O-N 3.45Å; H14-S18 PolarHBondContact O-OG 2.65Å; C15-S18 PolarHBondContact O-N 3.41Å; W16-S18 PolarHBondContact O-N 3.1Å; S18-H21 PolarHBondContact O-N 3.37Å; S18-I22 WeakPolarHBondContact O-CG1 3.45Å; S18-I22 PolarHBondContact O-N 3.3Å |
| 19 | I | 68.9 | Low | 66.1 | Low | 110 Ų | 110 | 108.1 Ų | 108.1 | 56% | 0.564 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.1 | -40.5 | 175.8 | -64.7 | 173.1 | 0 | 0 | 0 | 110.7 | C15 W16 H21 I22 F23 | C15-I19 PolarHBondContact O-N 2.95Å; W16-I19 PolarHBondContact O-N 3.22Å; I19-H21 VanDerWaalsContact C-N 3.28Å; I19-H21 PolarHBondContact O-N 3.47Å; I19-I22 PolarHBondContact O-N 3.4Å; I19-F23 WeakPolarHBondContact O-CB 3.25Å; I19-F23 PolarHBondContact O-N 3.2Å |
| 20 | Q | 67.7 | Low | 68.3 | Low | 112 Ų | 112 | 100.7 Ų | 100.7 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 172.4 | -79 | -162.2 | -28.7 | 0 | 0 | 111.5 | W16 S17 F23 T24 | W16-Q20 VanDerWaalsContact O-CB 3.28Å; W16-Q20 WeakPolarHBondContact O-CB 3.36Å; W16-Q20 WeakPolarHBondContact O-CG 3.37Å; W16-Q20 PolarHBondContact O-N 2.81Å; S17-Q20 PolarHBondContact O-N 2.86Å; Q20-F23 PolarHBondContact O-N 3.2Å; Q20-T24 WeakPolarHBondContact O-CB 3.15Å; Q20-T24 VanDerWaalsContact O-CG2 3.3Å; Q20-T24 WeakPolarHBondContact O-CG2 3.4Å; Q20-T24 PolarHBondContact O-N 3.09Å; Q20-T24 PolarHBondContact O-OG1 3.03Å |
| 21 | H | 71.1 | Confident | 70.3 | Confident | 116 Ų | 116 | 95.4 Ų | 95.4 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 177.4 | -156.9 | -73.9 | 0 | 0 | 0 | 112.5 | S17 S18 I19 T24 Q25 | S17-H21 VanDerWaalsContact O-CB 3.32Å; S17-H21 WeakPolarHBondContact O-CB 3.43Å; S17-H21 PolarHBondContact O-N 2.85Å; S18-H21 PolarHBondContact O-N 3.37Å; I19-H21 VanDerWaalsContact C-N 3.28Å; I19-H21 PolarHBondContact O-N 3.47Å; H21-T24 VanDerWaalsContact CA-OG1 3.32Å; H21-T24 WeakPolarHBondContact CA-OG1 3.32Å; H21-T24 PolarHBondContact O-OG1 3.29Å; H21-Q25 WeakPolarHBondContact O-CB 3.48Å; H21-Q25 PolarHBondContact O-N 3.16Å |
| 22 | I | 75.3 | Confident | 72.3 | Confident | 121 Ų | 121 | 95.6 Ų | 95.6 | 62% | 0.621 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.8 | -41.6 | 174.2 | -67 | 166.8 | 0 | 0 | 0 | 110.6 | S18 I19 Q25 G26 | S18-I22 WeakPolarHBondContact O-CG1 3.45Å; S18-I22 PolarHBondContact O-N 3.3Å; I19-I22 PolarHBondContact O-N 3.4Å; I22-Q25 PolarHBondContact O-N 3.42Å; I22-G26 PolarHBondContact O-N 3.27Å |
| 23 | F | 75.6 | Confident | 74 | Confident | 136 Ų | 136 | 92.8 Ų | 92.8 | 60% | 0.596 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -69.2 | -41.2 | 179.2 | -165.5 | -96 | 0 | 0 | 0 | 112 | I19 Q20 G26 R27 | I19-F23 WeakPolarHBondContact O-CB 3.25Å; I19-F23 PolarHBondContact O-N 3.2Å; Q20-F23 PolarHBondContact O-N 3.2Å; F23-G26 PolarHBondContact O-N 3.14Å; F23-R27 WeakPolarHBondContact O-CB 3.5Å; F23-R27 PolarHBondContact O-N 2.98Å |
| 24 | T | 80 | Confident | 75.8 | Confident | 80 Ų | 80 | 92.1 Ų | 92.1 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 175 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | Q20 H21 R27 F28 | Q20-T24 WeakPolarHBondContact O-CB 3.15Å; Q20-T24 VanDerWaalsContact O-CG2 3.3Å; Q20-T24 WeakPolarHBondContact O-CG2 3.4Å; Q20-T24 PolarHBondContact O-N 3.09Å; Q20-T24 PolarHBondContact O-OG1 3.03Å; H21-T24 VanDerWaalsContact CA-OG1 3.32Å; H21-T24 WeakPolarHBondContact CA-OG1 3.32Å; H21-T24 PolarHBondContact O-OG1 3.29Å; T24-R27 PolarHBondContact O-N 3.03Å; T24-F28 WeakPolarHBondContact O-CB 3.44Å; T24-F28 PolarHBondContact O-N 3.45Å |
| 25 | Q | 83 | Confident | 77.4 | Confident | 100 Ų | 100 | 86.7 Ų | 86.7 | 47% | 0.467 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.2 | -46.2 | 174.9 | -168.7 | 174 | 8.6 | 0 | 0 | 111.1 | H21 I22 R27 F28 W29 | H21-Q25 WeakPolarHBondContact O-CB 3.48Å; H21-Q25 PolarHBondContact O-N 3.16Å; I22-Q25 PolarHBondContact O-N 3.42Å; Q25-R27 VanDerWaalsContact C-N 3.34Å; Q25-R27 PolarHBondContact O-N 2.87Å; Q25-F28 WeakPolarHBondContact O-CB 3.16Å; Q25-F28 PolarHBondContact O-N 3.19Å; Q25-F28 VanDerWaalsContact O-N 3.13Å; Q25-W29 PolarHBondContact O-N 3.37Å |
| 26 | G | 84.6 | Confident | 78.7 | Confident | 33 Ų | 33 | 83.8 Ų | 83.8 | 34% | 0.34 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I22 F23 W29 A30 | I22-G26 PolarHBondContact O-N 3.27Å; F23-G26 PolarHBondContact O-N 3.14Å; G26-W29 PolarHBondContact O-N 2.92Å; G26-A30 WeakPolarHBondContact O-CB 3.24Å; G26-A30 PolarHBondContact O-N 3.37Å |
| 27 | R | 87.3 | Confident | 80.2 | Confident | 71 Ų | 71 | 82.2 Ų | 82.2 | 27% | 0.268 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 171.5 | -178.9 | -178.6 | 176.6 | 81.2 | 8.3 | 111.9 | F23 T24 Q25 A30 I31 I100 A101 S102 | F23-R27 WeakPolarHBondContact O-CB 3.5Å; F23-R27 PolarHBondContact O-N 2.98Å; T24-R27 PolarHBondContact O-N 3.03Å; Q25-R27 VanDerWaalsContact C-N 3.34Å; Q25-R27 PolarHBondContact O-N 2.87Å; R27-A30 PolarHBondContact O-N 3.21Å; R27-I31 HydrophobicContact CG-CD1 3.79Å; R27-I31 HydrophobicContact CG-CG1 4.38Å; R27-I31 WeakPolarHBondContact O-CB 3.26Å; R27-I31 VanDerWaalsContact O-CG1 3.22Å; R27-I31 WeakPolarHBondContact O-CG1 3.38Å; R27-I31 PolarHBondContact O-N 3.03Å; R27-I100 HydrophobicContact CB-CG2 4.47Å; R27-I100 PolarHBondContact NH1-O 3.1Å; R27-A101 PolarHBondContact NH2-O 3.29Å; R27-S102 PolarHBondContact NH1-O 3.33Å; R27-S102 PolarHBondContact NH2-O 3.18Å |
| 28 | F | 86.7 | Confident | 81.6 | Confident | 104 Ų | 104 | 82.8 Ų | 82.8 | 46% | 0.456 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 177.1 | -175.2 | -98.9 | 0 | 0 | 0 | 112.4 | T24 Q25 I31 R32 | T24-F28 WeakPolarHBondContact O-CB 3.44Å; T24-F28 PolarHBondContact O-N 3.45Å; Q25-F28 WeakPolarHBondContact O-CB 3.16Å; Q25-F28 PolarHBondContact O-N 3.19Å; Q25-F28 VanDerWaalsContact O-N 3.13Å; F28-I31 PolarHBondContact O-N 3.49Å; F28-R32 HydrophobicContact CE1-CG 4.31Å; F28-R32 WeakPolarHBondContact O-CG 3.41Å; F28-R32 PolarHBondContact O-N 3.33Å |
| 29 | W | 87.7 | Confident | 82.7 | Confident | 127 Ų | 127 | 85.3 Ų | 85.3 | 48% | 0.481 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 173.5 | -78.7 | 100.7 | 0 | 0 | 0 | 111.9 | Q25 G26 R32 L33 W38 | Q25-W29 PolarHBondContact O-N 3.37Å; G26-W29 PolarHBondContact O-N 2.92Å; W29-R32 PolarHBondContact O-N 2.92Å; W29-L33 VanDerWaalsContact O-CB 3.31Å; W29-L33 WeakPolarHBondContact O-CB 3.23Å; W29-L33 PolarHBondContact O-N 3.4Å; W29-W38 AromaticContact CE3-CH2 3.6Å; W29-W38 HydrophobicContact CE3-CH2 3.6Å; W29-W38 HydrophobicContact CE3-CZ2 4.08Å; W29-W38 HydrophobicContact CE3-CZ3 4.11Å; W29-W38 HydrophobicContact CH2-CZ2 4.49Å; W29-W38 AromaticContact CZ3-CH2 3.39Å; W29-W38 HydrophobicContact CZ3-CH2 3.39Å; W29-W38 AromaticContact CZ3-CZ2 3.47Å; W29-W38 HydrophobicContact CZ3-CZ2 3.47Å; W29-W38 VanDerWaalsContact CZ3-CZ2 3.47Å; W29-W38 HydrophobicContact CZ3-CZ3 4.31Å |
| 30 | A | 89.1 | Confident | 83.7 | Confident | 7 Ų | 7 | 82.7 Ų | 82.7 | 6% | 0.058 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63 | -44.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | G26 R27 R32 L33 V34 V97 I100 A101 | G26-A30 WeakPolarHBondContact O-CB 3.24Å; G26-A30 PolarHBondContact O-N 3.37Å; R27-A30 PolarHBondContact O-N 3.21Å; A30-R32 VanDerWaalsContact C-N 3.31Å; A30-R32 PolarHBondContact O-N 3.22Å; A30-L33 PolarHBondContact O-N 2.98Å; A30-L33 VanDerWaalsContact O-N 3.13Å; A30-V34 WeakPolarHBondContact O-CG2 3.31Å; A30-V34 PolarHBondContact O-N 3.41Å; A30-V97 HydrophobicContact CB-CG1 4.07Å; A30-I100 HydrophobicContact CB-CB 3.94Å; A30-I100 HydrophobicContact CB-CG2 3.61Å; A30-A101 HydrophobicContact CB-CB 4.12Å |
| 31 | I | 87.8 | Confident | 84.7 | Confident | 74 Ų | 74 | 77.3 Ų | 77.3 | 38% | 0.379 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 174.4 | -70.1 | 166.9 | 0 | 0 | 0 | 110.3 | R27 F28 L33 V34 S35 A101 | R27-I31 HydrophobicContact CG-CD1 3.79Å; R27-I31 HydrophobicContact CG-CG1 4.38Å; R27-I31 WeakPolarHBondContact O-CB 3.26Å; R27-I31 VanDerWaalsContact O-CG1 3.22Å; R27-I31 WeakPolarHBondContact O-CG1 3.38Å; R27-I31 PolarHBondContact O-N 3.03Å; F28-I31 PolarHBondContact O-N 3.49Å; I31-L33 VanDerWaalsContact C-N 3.31Å; I31-L33 PolarHBondContact O-N 2.78Å; I31-V34 PolarHBondContact O-N 2.84Å; I31-S35 WeakPolarHBondContact O-CB 3.26Å; I31-S35 PolarHBondContact O-N 3.44Å; I31-A101 HydrophobicContact CG1-CB 4.01Å |
| 32 | R | 88.9 | Confident | 85.5 | Confident | 118 Ų | 118 | 76.7 Ų | 76.7 | 45% | 0.445 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65 | -32.8 | 175.9 | -81.1 | -173.7 | 155.9 | -172.2 | -3.9 | 113.7 | F28 W29 A30 W38 | F28-R32 HydrophobicContact CE1-CG 4.31Å; F28-R32 WeakPolarHBondContact O-CG 3.41Å; F28-R32 PolarHBondContact O-N 3.33Å; W29-R32 PolarHBondContact O-N 2.92Å; A30-R32 VanDerWaalsContact C-N 3.31Å; A30-R32 PolarHBondContact O-N 3.22Å; R32-W38 HydrophobicContact CB-CD2 4.41Å; R32-W38 HydrophobicContact CB-CE3 4.11Å; R32-W38 WeakPolarHBondContact O-CB 3.02Å |
| 33 | L | 88.9 | Confident | 86.1 | Confident | 40 Ų | 40 | 75.4 Ų | 75.4 | 21% | 0.209 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -78.5 | -32.6 | -178.5 | -150.4 | 157.4 | 0 | 0 | 0 | 111.6 | W29 A30 I31 W38 G41 F44 V97 | W29-L33 VanDerWaalsContact O-CB 3.31Å; W29-L33 WeakPolarHBondContact O-CB 3.23Å; W29-L33 PolarHBondContact O-N 3.4Å; A30-L33 PolarHBondContact O-N 2.98Å; A30-L33 VanDerWaalsContact O-N 3.13Å; I31-L33 VanDerWaalsContact C-N 3.31Å; I31-L33 PolarHBondContact O-N 2.78Å; L33-W38 HydrophobicContact CB-CE3 4.29Å; L33-W38 HydrophobicContact CB-CZ3 4.1Å; L33-W38 HydrophobicContact CD1-CZ3 4.06Å; L33-W38 HydrophobicContact CG-CE3 4.39Å; L33-W38 HydrophobicContact CG-CZ3 3.95Å; L33-G41 VanDerWaalsContact O-CA 3.24Å; L33-G41 WeakPolarHBondContact O-CA 3.28Å; L33-F44 HydrophobicContact CD2-CB 3.68Å; L33-F44 HydrophobicContact CD2-CD1 3.1Å; L33-F44 HydrophobicContact CD2-CD2 3.66Å; L33-F44 HydrophobicContact CD2-CE1 3.4Å; L33-F44 VanDerWaalsContact CD2-CE1 3.4Å; L33-F44 HydrophobicContact CD2-CE2 3.96Å; L33-F44 HydrophobicContact CD2-CG 3.2Å; L33-F44 HydrophobicContact CD2-CZ 3.82Å; L33-V97 HydrophobicContact CB-CG1 4.25Å; L33-V97 HydrophobicContact CD2-CG1 4.25Å |
| 34 | V | 85.8 | Confident | 86.8 | Confident | 52 Ų | 52 | 70 Ų | 70 | 32% | 0.315 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -80.7 | -22.1 | 171 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | A30 I31 I45 V97 R98 A101 | A30-V34 WeakPolarHBondContact O-CG2 3.31Å; A30-V34 PolarHBondContact O-N 3.41Å; I31-V34 PolarHBondContact O-N 2.84Å; V34-I45 WeakPolarHBondContact O-CD1 3.11Å; V34-V97 HydrophobicContact CG2-CG1 3.76Å; V34-R98 HydrophobicContact CG2-CG 4.03Å; V34-A101 HydrophobicContact CG2-CB 4.14Å |
| 35 | S | 85 | Confident | 87.2 | Confident | 28 Ų | 28 | 66.6 Ų | 66.6 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -75.8 | 148.2 | 173.1 | -179.7 | 0 | 0 | 0 | 0 | 112 | I31 D37 | I31-S35 WeakPolarHBondContact O-CB 3.26Å; I31-S35 PolarHBondContact O-N 3.44Å; S35-D37 PolarHBondContact O-N 2.98Å; S35-D37 PolarHBondContact OG-N 3.39Å; S35-D37 VanDerWaalsContact OG-N 3.11Å; S35-D37 PolarHBondContact OG-OD2 3.12Å |
| 36 | Y | 83.5 | Confident | 87.4 | Confident | 30 Ų | 30 | 63.2 Ų | 63.2 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -3.7 | 172.4 | -64.6 | -92.4 | 0 | 0 | 0 | 113 | W38 R42 I45 V151 N154 | Y36-W38 VanDerWaalsContact C-N 3.28Å; Y36-W38 PolarHBondContact O-N 2.89Å; Y36-R42 VanDerWaalsContact O-CG 3.3Å; Y36-R42 WeakPolarHBondContact O-CG 3.48Å; Y36-R42 PolarHBondContact O-NE 3.26Å; Y36-R42 PolarHBondContact O-NH2 2.89Å; Y36-I45 HydrophobicContact CD1-CD1 3.88Å; Y36-I45 HydrophobicContact CD2-CD1 4.21Å; Y36-I45 HydrophobicContact CE1-CB 4.34Å; Y36-I45 HydrophobicContact CE1-CD1 3.67Å; Y36-I45 HydrophobicContact CE1-CG2 3.81Å; Y36-I45 HydrophobicContact CE2-CD1 4.01Å; Y36-I45 HydrophobicContact CG-CD1 4.17Å; Y36-V151 HydrophobicContact CE1-CG2 4.46Å; Y36-V151 WeakPolarHBondContact OH-CG2 3.32Å; Y36-N154 HydrophobicContact CD1-CB 3.33Å; Y36-N154 HydrophobicContact CD2-CB 3.95Å; Y36-N154 WeakPolarHBondContact CD2-ND2 3.45Å; Y36-N154 HydrophobicContact CE1-CB 3.66Å; Y36-N154 HydrophobicContact CE2-CB 4.26Å; Y36-N154 WeakPolarHBondContact CE2-ND2 3.41Å; Y36-N154 HydrophobicContact CG-CB 3.47Å; Y36-N154 VanDerWaalsContact CG-CB 3.47Å; Y36-N154 VanDerWaalsContact CZ-ND2 3.28Å |
| 37 | D | 84.8 | Confident | 87.6 | Confident | 142 Ų | 142 | 64.7 Ų | 64.7 | 76% | 0.759 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -25.9 | -178.7 | -59.4 | -37.9 | 0 | 0 | 0 | 112.5 | S35 | S35-D37 PolarHBondContact O-N 2.98Å; S35-D37 PolarHBondContact OG-N 3.39Å; S35-D37 VanDerWaalsContact OG-N 3.11Å; S35-D37 PolarHBondContact OG-OD2 3.12Å |
| 38 | W | 87.7 | Confident | 87.7 | Confident | 72 Ų | 72 | 61.8 Ų | 61.8 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -102.4 | 130.7 | -173.2 | -164.5 | 38.7 | 0 | 0 | 0 | 111.2 | W29 R32 L33 Y36 P40 G41 R42 | W29-W38 AromaticContact CE3-CH2 3.6Å; W29-W38 HydrophobicContact CE3-CH2 3.6Å; W29-W38 HydrophobicContact CE3-CZ2 4.08Å; W29-W38 HydrophobicContact CE3-CZ3 4.11Å; W29-W38 HydrophobicContact CH2-CZ2 4.49Å; W29-W38 AromaticContact CZ3-CH2 3.39Å; W29-W38 HydrophobicContact CZ3-CH2 3.39Å; W29-W38 AromaticContact CZ3-CZ2 3.47Å; W29-W38 HydrophobicContact CZ3-CZ2 3.47Å; W29-W38 VanDerWaalsContact CZ3-CZ2 3.47Å; W29-W38 HydrophobicContact CZ3-CZ3 4.31Å; R32-W38 HydrophobicContact CB-CD2 4.41Å; R32-W38 HydrophobicContact CB-CE3 4.11Å; R32-W38 WeakPolarHBondContact O-CB 3.02Å; L33-W38 HydrophobicContact CB-CE3 4.29Å; L33-W38 HydrophobicContact CB-CZ3 4.1Å; L33-W38 HydrophobicContact CD1-CZ3 4.06Å; L33-W38 HydrophobicContact CG-CE3 4.39Å; L33-W38 HydrophobicContact CG-CZ3 3.95Å; Y36-W38 VanDerWaalsContact C-N 3.28Å; Y36-W38 PolarHBondContact O-N 2.89Å; W38-P40 HydrophobicContact CD2-CB 4.04Å; W38-P40 HydrophobicContact CD2-CG 3.96Å; W38-P40 HydrophobicContact CE3-CB 3.96Å; W38-P40 HydrophobicContact CE3-CG 4.36Å; W38-P40 HydrophobicContact CG-CG 4.49Å; W38-P40 HydrophobicContact CH2-CB 3.86Å; W38-P40 HydrophobicContact CH2-CG 4.01Å; W38-P40 HydrophobicContact CZ2-CB 3.96Å; W38-P40 HydrophobicContact CZ2-CG 3.58Å; W38-P40 HydrophobicContact CZ3-CB 3.89Å; W38-P40 HydrophobicContact CZ3-CG 4.4Å; W38-G41 CarbonylContact O-C 3.18Å; W38-G41 VanDerWaalsContact O-CA 3.3Å; W38-G41 WeakPolarHBondContact O-CA 3.24Å; W38-G41 PolarHBondContact O-N 3.49Å; W38-R42 PolarHBondContact O-N 3.06Å |
| 39 | I | 87.3 | Confident | 87.8 | Confident | 118 Ų | 118 | 57.4 Ų | 57.4 | 61% | 0.605 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -54.9 | -48.1 | -178.5 | -63 | 167.4 | 0 | 0 | 0 | 111.8 | G41 R42 I43 | I39-G41 VanDerWaalsContact C-N 3.27Å; I39-G41 PolarHBondContact O-N 3.45Å; I39-R42 WeakPolarHBondContact O-CB 3.3Å; I39-R42 PolarHBondContact O-N 3.4Å; I39-I43 HydrophobicContact CG2-CD1 4.03Å; I39-I43 WeakPolarHBondContact O-CG1 3.36Å; I39-I43 PolarHBondContact O-N 3.36Å |
| 40 | P | 90 | Very high | 88 | Confident | 55 Ų | 55 | 55.9 Ų | 55.9 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.3 | -34.1 | 172.8 | -26.2 | 37.5 | 0 | 0 | 0 | 113.6 | W38 I43 F44 | W38-P40 HydrophobicContact CD2-CB 4.04Å; W38-P40 HydrophobicContact CD2-CG 3.96Å; W38-P40 HydrophobicContact CE3-CB 3.96Å; W38-P40 HydrophobicContact CE3-CG 4.36Å; W38-P40 HydrophobicContact CG-CG 4.49Å; W38-P40 HydrophobicContact CH2-CB 3.86Å; W38-P40 HydrophobicContact CH2-CG 4.01Å; W38-P40 HydrophobicContact CZ2-CB 3.96Å; W38-P40 HydrophobicContact CZ2-CG 3.58Å; W38-P40 HydrophobicContact CZ3-CB 3.89Å; W38-P40 HydrophobicContact CZ3-CG 4.4Å; P40-I43 PolarHBondContact O-N 3.28Å; P40-F44 VanDerWaalsContact O-CB 3.23Å; P40-F44 WeakPolarHBondContact O-CB 3.41Å; P40-F44 PolarHBondContact O-N 3.26Å |
| 41 | G | 88 | Confident | 88.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | L33 W38 I39 I43 F44 I45 | L33-G41 VanDerWaalsContact O-CA 3.24Å; L33-G41 WeakPolarHBondContact O-CA 3.28Å; W38-G41 CarbonylContact O-C 3.18Å; W38-G41 VanDerWaalsContact O-CA 3.3Å; W38-G41 WeakPolarHBondContact O-CA 3.24Å; W38-G41 PolarHBondContact O-N 3.49Å; I39-G41 VanDerWaalsContact C-N 3.27Å; I39-G41 PolarHBondContact O-N 3.45Å; G41-I43 VanDerWaalsContact C-N 3.34Å; G41-I43 PolarHBondContact O-N 3.08Å; G41-F44 WeakPolarHBondContact O-CB 3.45Å; G41-F44 PolarHBondContact O-N 2.99Å; G41-F44 VanDerWaalsContact O-N 3.16Å; G41-I45 VanDerWaalsContact O-CG1 3.32Å; G41-I45 WeakPolarHBondContact O-CG1 3.47Å; G41-I45 PolarHBondContact O-N 3.45Å |
| 42 | R | 87.7 | Confident | 88.3 | Confident | 102 Ų | 102 | 54.6 Ų | 54.6 | 39% | 0.385 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.8 | -45.6 | 173.8 | -64.3 | -177.7 | -173.9 | -175.1 | 0.2 | 112 | Y36 W38 I39 F44 I45 A46 L155 | Y36-R42 VanDerWaalsContact O-CG 3.3Å; Y36-R42 WeakPolarHBondContact O-CG 3.48Å; Y36-R42 PolarHBondContact O-NE 3.26Å; Y36-R42 PolarHBondContact O-NH2 2.89Å; W38-R42 PolarHBondContact O-N 3.06Å; I39-R42 WeakPolarHBondContact O-CB 3.3Å; I39-R42 PolarHBondContact O-N 3.4Å; R42-F44 VanDerWaalsContact C-N 3.34Å; R42-I45 PolarHBondContact O-N 3.21Å; R42-A46 VanDerWaalsContact O-CB 3.28Å; R42-A46 WeakPolarHBondContact O-CB 3.41Å; R42-A46 PolarHBondContact O-N 3.32Å; R42-L155 HydrophobicContact CB-CD2 4.46Å |
| 43 | I | 88.7 | Confident | 88.5 | Confident | 95 Ų | 95 | 52.6 Ų | 52.6 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 177.5 | -66.5 | 168.6 | 0 | 0 | 0 | 110.1 | I39 P40 G41 I45 A46 L47 | I39-I43 HydrophobicContact CG2-CD1 4.03Å; I39-I43 WeakPolarHBondContact O-CG1 3.36Å; I39-I43 PolarHBondContact O-N 3.36Å; P40-I43 PolarHBondContact O-N 3.28Å; G41-I43 VanDerWaalsContact C-N 3.34Å; G41-I43 PolarHBondContact O-N 3.08Å; I43-I45 PolarHBondContact O-N 3.35Å; I43-A46 PolarHBondContact O-N 3.27Å; I43-L47 HydrophobicContact CG2-CD1 3.82Å; I43-L47 HydrophobicContact CG2-CG 4.27Å; I43-L47 WeakPolarHBondContact O-CB 3.3Å; I43-L47 VanDerWaalsContact O-CG 3.27Å; I43-L47 WeakPolarHBondContact O-CG 3.33Å; I43-L47 PolarHBondContact O-N 3.07Å |
| 44 | F | 90.8 | Very high | 88.6 | Confident | 22 Ų | 22 | 53 Ų | 53 | 10% | 0.096 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -45.2 | 179.2 | -177.7 | -105.7 | 0 | 0 | 0 | 112.4 | L33 P40 G41 R42 L47 S48 F90 L93 H94 V97 | L33-F44 HydrophobicContact CD2-CB 3.68Å; L33-F44 HydrophobicContact CD2-CD1 3.1Å; L33-F44 HydrophobicContact CD2-CD2 3.66Å; L33-F44 HydrophobicContact CD2-CE1 3.4Å; L33-F44 VanDerWaalsContact CD2-CE1 3.4Å; L33-F44 HydrophobicContact CD2-CE2 3.96Å; L33-F44 HydrophobicContact CD2-CG 3.2Å; L33-F44 HydrophobicContact CD2-CZ 3.82Å; P40-F44 VanDerWaalsContact O-CB 3.23Å; P40-F44 WeakPolarHBondContact O-CB 3.41Å; P40-F44 PolarHBondContact O-N 3.26Å; G41-F44 WeakPolarHBondContact O-CB 3.45Å; G41-F44 PolarHBondContact O-N 2.99Å; G41-F44 VanDerWaalsContact O-N 3.16Å; R42-F44 VanDerWaalsContact C-N 3.34Å; F44-L47 PolarHBondContact O-N 3.48Å; F44-S48 PolarHBondContact O-N 2.88Å; F44-F90 AromaticContact CD2-CE2 3.94Å; F44-F90 HydrophobicContact CD2-CE2 3.94Å; F44-F90 AromaticContact CD2-CZ 3.76Å; F44-F90 HydrophobicContact CD2-CZ 3.76Å; F44-F90 AromaticContact CE2-CE2 3.77Å; F44-F90 HydrophobicContact CE2-CE2 3.77Å; F44-F90 AromaticContact CE2-CZ 3.66Å; F44-F90 HydrophobicContact CE2-CZ 3.66Å; F44-F90 HydrophobicContact CG-CZ 4.46Å; F44-F90 HydrophobicContact CZ-CZ 4.31Å; F44-L93 HydrophobicContact CE2-CD2 4.4Å; F44-H94 AromaticContact CD1-CD2 3.98Å; F44-H94 HydrophobicContact CE1-CB 4.33Å; F44-H94 AromaticContact CE1-CD2 3.26Å; F44-H94 WeakPolarHBondContact CE1-CD2 3.28Å; F44-H94 HydrophobicContact CZ-CB 4Å; F44-H94 AromaticContact CZ-CD2 3.77Å; F44-V97 HydrophobicContact CZ-CG2 4.4Å |
| 45 | I | 87.9 | Confident | 88.9 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.6 | -41 | 177.8 | -62.3 | 165.7 | 0 | 0 | 0 | 111 | V34 Y36 G41 R42 I43 L47 S48 M49 V151 | V34-I45 WeakPolarHBondContact O-CD1 3.11Å; Y36-I45 HydrophobicContact CD1-CD1 3.88Å; Y36-I45 HydrophobicContact CD2-CD1 4.21Å; Y36-I45 HydrophobicContact CE1-CB 4.34Å; Y36-I45 HydrophobicContact CE1-CD1 3.67Å; Y36-I45 HydrophobicContact CE1-CG2 3.81Å; Y36-I45 HydrophobicContact CE2-CD1 4.01Å; Y36-I45 HydrophobicContact CG-CD1 4.17Å; G41-I45 VanDerWaalsContact O-CG1 3.32Å; G41-I45 WeakPolarHBondContact O-CG1 3.47Å; G41-I45 PolarHBondContact O-N 3.45Å; R42-I45 PolarHBondContact O-N 3.21Å; I43-I45 PolarHBondContact O-N 3.35Å; I45-L47 PolarHBondContact O-N 3.4Å; I45-S48 PolarHBondContact O-N 3.41Å; I45-S48 PolarHBondContact O-OG 3.47Å; I45-M49 PolarHBondContact O-N 2.97Å; I45-V151 HydrophobicContact CG2-CG1 4.33Å; I45-V151 HydrophobicContact CG2-CG2 3.6Å |
| 46 | A | 86.3 | Confident | 89.3 | Confident | 29 Ų | 29 | 49.8 Ų | 49.8 | 24% | 0.24 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R42 I43 M49 I50 | R42-A46 VanDerWaalsContact O-CB 3.28Å; R42-A46 WeakPolarHBondContact O-CB 3.41Å; R42-A46 PolarHBondContact O-N 3.32Å; I43-A46 PolarHBondContact O-N 3.27Å; A46-M49 WeakPolarHBondContact O-CB 3.34Å; A46-M49 PolarHBondContact O-N 3.25Å; A46-I50 WeakPolarHBondContact O-CG1 3.38Å; A46-I50 PolarHBondContact O-N 3.41Å |
| 47 | L | 89.8 | Confident | 89.8 | Confident | 64 Ų | 64 | 51.7 Ų | 51.7 | 34% | 0.335 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64 | -40.4 | 174.2 | -75.6 | 173.5 | 0 | 0 | 0 | 111.7 | I43 F44 I45 M49 I50 F51 F90 | I43-L47 HydrophobicContact CG2-CD1 3.82Å; I43-L47 HydrophobicContact CG2-CG 4.27Å; I43-L47 WeakPolarHBondContact O-CB 3.3Å; I43-L47 VanDerWaalsContact O-CG 3.27Å; I43-L47 WeakPolarHBondContact O-CG 3.33Å; I43-L47 PolarHBondContact O-N 3.07Å; F44-L47 PolarHBondContact O-N 3.48Å; I45-L47 PolarHBondContact O-N 3.4Å; L47-M49 PolarHBondContact O-N 3.02Å; L47-I50 PolarHBondContact O-N 3.1Å; L47-F51 HydrophobicContact CD2-CZ 4.39Å; L47-F51 VanDerWaalsContact O-CB 3.28Å; L47-F51 WeakPolarHBondContact O-CB 3.32Å; L47-F51 VanDerWaalsContact O-CG 3.24Å; L47-F51 WeakPolarHBondContact O-CG 3.34Å; L47-F51 PolarHBondContact O-N 3.33Å; L47-F90 HydrophobicContact CB-CZ 4.18Å |
| 48 | S | 89.8 | Confident | 90.1 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.4 | -38.7 | 175.8 | 88.2 | 0 | 0 | 0 | 0 | 111.4 | F44 I45 S52 | F44-S48 PolarHBondContact O-N 2.88Å; I45-S48 PolarHBondContact O-N 3.41Å; I45-S48 PolarHBondContact O-OG 3.47Å; S48-S52 WeakPolarHBondContact O-CB 3.4Å; S48-S52 PolarHBondContact O-N 3.1Å |
| 49 | M | 88.9 | Confident | 90.2 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.059 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.6 | -47.5 | 176.6 | -159.9 | 66.5 | -160.4 | 0 | 0 | 112.7 | I45 A46 L47 F51 S52 L53 L145 L148 | I45-M49 PolarHBondContact O-N 2.97Å; A46-M49 WeakPolarHBondContact O-CB 3.34Å; A46-M49 PolarHBondContact O-N 3.25Å; L47-M49 PolarHBondContact O-N 3.02Å; M49-F51 VanDerWaalsContact C-N 3.33Å; M49-F51 PolarHBondContact O-N 3.09Å; M49-S52 WeakPolarHBondContact O-CB 3.26Å; M49-S52 PolarHBondContact O-N 3.3Å; M49-S52 VanDerWaalsContact O-N 3.13Å; M49-S52 PolarHBondContact O-OG 3.17Å; M49-L53 PolarHBondContact O-N 3.17Å; M49-L53 VanDerWaalsContact O-N 3.1Å; M49-L145 HydrophobicContact CE-CB 4.49Å; M49-L145 HydrophobicContact CE-CD1 3.65Å; M49-L148 HydrophobicContact CE-CB 3.57Å; M49-L148 HydrophobicContact CE-CD1 4Å; M49-L148 HydrophobicContact CE-CG 4.26Å; M49-L148 HydrophobicContact CG-CD1 4.03Å; M49-L148 HydrophobicContact SD-CB 4.49Å |
| 50 | I | 91.2 | Very high | 90.5 | Very high | 95 Ų | 95 | 37.4 Ų | 37.4 | 49% | 0.487 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 177.4 | -66.7 | 165.9 | 0 | 0 | 0 | 110.5 | A46 L47 S52 L53 T54 | A46-I50 WeakPolarHBondContact O-CG1 3.38Å; A46-I50 PolarHBondContact O-N 3.41Å; L47-I50 PolarHBondContact O-N 3.1Å; I50-S52 VanDerWaalsContact C-N 3.27Å; I50-S52 PolarHBondContact O-N 3.48Å; I50-L53 PolarHBondContact O-N 2.72Å; I50-T54 WeakPolarHBondContact O-CG2 3.43Å; I50-T54 PolarHBondContact O-N 3.42Å; I50-T54 PolarHBondContact O-OG1 3.49Å |
| 51 | F | 92.8 | Very high | 90.5 | Very high | 49 Ų | 49 | 40.4 Ų | 40.4 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -33.5 | 177 | -68.9 | -6.9 | 0 | 0 | 0 | 111.5 | L47 M49 T54 S55 M87 F90 F91 | L47-F51 HydrophobicContact CD2-CZ 4.39Å; L47-F51 VanDerWaalsContact O-CB 3.28Å; L47-F51 WeakPolarHBondContact O-CB 3.32Å; L47-F51 VanDerWaalsContact O-CG 3.24Å; L47-F51 WeakPolarHBondContact O-CG 3.34Å; L47-F51 PolarHBondContact O-N 3.33Å; M49-F51 VanDerWaalsContact C-N 3.33Å; M49-F51 PolarHBondContact O-N 3.09Å; F51-T54 VanDerWaalsContact CA-OG1 3.28Å; F51-T54 WeakPolarHBondContact CA-OG1 3.45Å; F51-T54 PolarHBondContact O-OG1 3.16Å; F51-S55 WeakPolarHBondContact O-CB 3.37Å; F51-S55 PolarHBondContact O-N 3.14Å; F51-M87 HydrophobicContact CB-SD 3.71Å; F51-M87 HydrophobicContact CD1-CE 3.48Å; F51-M87 VanDerWaalsContact CD1-CE 3.48Å; F51-M87 HydrophobicContact CD1-SD 3.35Å; F51-M87 WeakPolarHBondContact CD1-SD 3.48Å; F51-M87 HydrophobicContact CD2-SD 3.47Å; F51-M87 WeakPolarHBondContact CD2-SD 3.46Å; F51-M87 HydrophobicContact CE1-CE 3.53Å; F51-M87 HydrophobicContact CE1-SD 3.71Å; F51-M87 HydrophobicContact CE2-SD 3.82Å; F51-M87 HydrophobicContact CG-CE 4.04Å; F51-M87 HydrophobicContact CG-SD 3.22Å; F51-M87 WeakPolarHBondContact CG-SD 3.48Å; F51-M87 HydrophobicContact CZ-CE 4.12Å; F51-M87 HydrophobicContact CZ-SD 3.93Å; F51-F90 HydrophobicContact CD2-CB 4.04Å; F51-F90 AromaticContact CD2-CD1 3.61Å; F51-F90 HydrophobicContact CD2-CD1 3.61Å; F51-F90 HydrophobicContact CD2-CD2 4.07Å; F51-F90 HydrophobicContact CD2-CE1 4.08Å; F51-F90 HydrophobicContact CD2-CE2 4.47Å; F51-F90 AromaticContact CD2-CG 3.62Å; F51-F90 HydrophobicContact CD2-CG 3.62Å; F51-F90 HydrophobicContact CD2-CZ 4.47Å; F51-F90 HydrophobicContact CE2-CB 4.26Å; F51-F90 HydrophobicContact CE2-CD1 4.27Å; F51-F90 AromaticContact CE2-CD2 3.88Å; F51-F90 HydrophobicContact CE2-CD2 3.88Å; F51-F90 HydrophobicContact CE2-CE2 4.3Å; F51-F90 AromaticContact CE2-CG 3.86Å; F51-F90 HydrophobicContact CE2-CG 3.86Å; F51-F91 VanDerWaalsContact C-CZ 3.49Å; F51-F91 HydrophobicContact CB-CE1 4.19Å; F51-F91 HydrophobicContact CB-CZ 3.8Å |
| 52 | S | 91.4 | Very high | 90.5 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 4% | 0.035 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66 | -44.4 | 177.4 | 78.6 | 0 | 0 | 0 | 0 | 111.8 | S48 M49 I50 S55 F56 | S48-S52 WeakPolarHBondContact O-CB 3.4Å; S48-S52 PolarHBondContact O-N 3.1Å; M49-S52 WeakPolarHBondContact O-CB 3.26Å; M49-S52 PolarHBondContact O-N 3.3Å; M49-S52 VanDerWaalsContact O-N 3.13Å; M49-S52 PolarHBondContact O-OG 3.17Å; I50-S52 VanDerWaalsContact C-N 3.27Å; I50-S52 PolarHBondContact O-N 3.48Å; S52-S55 PolarHBondContact O-N 2.97Å; S52-F56 WeakPolarHBondContact O-CB 3.15Å; S52-F56 PolarHBondContact O-N 3.5Å |
| 53 | L | 91.5 | Very high | 90.6 | Very high | 76 Ų | 76 | 36.3 Ų | 36.3 | 40% | 0.398 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.3 | -43.2 | 177.8 | -74.7 | 172.8 | 0 | 0 | 0 | 111.9 | M49 I50 F56 S57 L145 | M49-L53 PolarHBondContact O-N 3.17Å; M49-L53 VanDerWaalsContact O-N 3.1Å; I50-L53 PolarHBondContact O-N 2.72Å; L53-F56 PolarHBondContact O-N 3.14Å; L53-S57 WeakPolarHBondContact O-CB 3.42Å; L53-S57 PolarHBondContact O-N 2.96Å; L53-S57 PolarHBondContact O-OG 3Å; L53-L145 HydrophobicContact CD2-CD1 3.98Å |
| 54 | T | 92.3 | Very high | 90.7 | Very high | 50 Ų | 50 | 33.9 Ų | 33.9 | 31% | 0.307 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.1 | -43.4 | 176.3 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | I50 F51 F56 S57 I58 | I50-T54 WeakPolarHBondContact O-CG2 3.43Å; I50-T54 PolarHBondContact O-N 3.42Å; I50-T54 PolarHBondContact O-OG1 3.49Å; F51-T54 VanDerWaalsContact CA-OG1 3.28Å; F51-T54 WeakPolarHBondContact CA-OG1 3.45Å; F51-T54 PolarHBondContact O-OG1 3.16Å; T54-F56 VanDerWaalsContact C-N 3.35Å; T54-F56 PolarHBondContact O-N 3.07Å; T54-S57 WeakPolarHBondContact O-CB 3.3Å; T54-S57 PolarHBondContact O-N 2.98Å; T54-I58 VanDerWaalsContact O-CG1 3.27Å; T54-I58 WeakPolarHBondContact O-CG1 3.46Å; T54-I58 PolarHBondContact O-N 3.43Å |
| 55 | S | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.6 | -37.8 | 177.2 | -175 | 0 | 0 | 0 | 0 | 112.7 | F51 S52 Y59 D84 R141 | F51-S55 WeakPolarHBondContact O-CB 3.37Å; F51-S55 PolarHBondContact O-N 3.14Å; S52-S55 PolarHBondContact O-N 2.97Å; S55-Y59 PolarHBondContact O-N 3.31Å; S55-D84 PolarHBondContact OG-OD1 3.28Å; S55-R141 WeakPolarHBondContact OG-CD 3.4Å; S55-R141 VanDerWaalsContact OG-CZ 3.3Å; S55-R141 PolarHBondContact OG-NH1 3.36Å |
| 56 | F | 93.4 | Very high | 90.3 | Very high | 12 Ų | 12 | 40 Ų | 40 | 5% | 0.053 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.8 | -41.4 | 171.7 | 179.6 | -96.6 | 0 | 0 | 0 | 112.2 | S52 L53 T54 I58 Y59 A60 R141 I142 F178 Y207 | S52-F56 WeakPolarHBondContact O-CB 3.15Å; S52-F56 PolarHBondContact O-N 3.5Å; L53-F56 PolarHBondContact O-N 3.14Å; T54-F56 VanDerWaalsContact C-N 3.35Å; T54-F56 PolarHBondContact O-N 3.07Å; F56-I58 VanDerWaalsContact C-N 3.28Å; F56-I58 PolarHBondContact O-N 3.44Å; F56-Y59 AromaticContact CD2-CD1 3.95Å; F56-Y59 HydrophobicContact CD2-CD1 3.95Å; F56-Y59 AromaticContact CE2-CD1 3.56Å; F56-Y59 HydrophobicContact CE2-CD1 3.56Å; F56-Y59 AromaticContact CE2-CE1 3.87Å; F56-Y59 HydrophobicContact CE2-CE1 3.87Å; F56-Y59 HydrophobicContact CZ-CD1 4.12Å; F56-Y59 HydrophobicContact CZ-CE1 4.28Å; F56-Y59 WeakPolarHBondContact O-CA 3.23Å; F56-Y59 WeakPolarHBondContact O-CB 3.25Å; F56-Y59 PolarHBondContact O-N 3.34Å; F56-Y59 VanDerWaalsContact O-N 3.07Å; F56-A60 HydrophobicContact CE1-CB 4.19Å; F56-A60 HydrophobicContact CZ-CB 4.4Å; F56-A60 PolarHBondContact O-N 3.37Å; F56-R141 HydrophobicContact CD2-CB 4.48Å; F56-I142 HydrophobicContact CD1-CD1 3.81Å; F56-I142 HydrophobicContact CD2-CB 3.77Å; F56-I142 HydrophobicContact CD2-CD1 4.19Å; F56-I142 HydrophobicContact CD2-CG1 4.49Å; F56-I142 HydrophobicContact CE1-CD1 3.9Å; F56-I142 HydrophobicContact CE2-CB 3.71Å; F56-I142 HydrophobicContact CE2-CD1 4.27Å; F56-I142 HydrophobicContact CE2-CG1 4.33Å; F56-I142 HydrophobicContact CG-CB 4.4Å; F56-I142 HydrophobicContact CG-CD1 3.99Å; F56-I142 HydrophobicContact CZ-CB 4.29Å; F56-I142 HydrophobicContact CZ-CD1 4.15Å; F56-I142 HydrophobicContact CZ-CG1 4.44Å; F56-F178 AromaticContact CE1-CD1 3.57Å; F56-F178 HydrophobicContact CE1-CD1 3.57Å; F56-F178 HydrophobicContact CE1-CE1 4.07Å; F56-F178 HydrophobicContact CZ-CB 4.22Å; F56-F178 AromaticContact CZ-CD1 3.58Å; F56-F178 HydrophobicContact CZ-CD1 3.58Å; F56-F178 HydrophobicContact CZ-CE1 4.46Å; F56-F178 HydrophobicContact CZ-CG 4.39Å; F56-Y207 HydrophobicContact CZ-CE1 4.44Å |
| 57 | S | 92.1 | Very high | 90 | Very high | 70 Ų | 70 | 39.9 Ų | 39.9 | 49% | 0.49 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.5 | -37.6 | 177.4 | -59.6 | 0 | 0 | 0 | 0 | 112 | L53 T54 A60 Y61 | L53-S57 WeakPolarHBondContact O-CB 3.42Å; L53-S57 PolarHBondContact O-N 2.96Å; L53-S57 PolarHBondContact O-OG 3Å; T54-S57 WeakPolarHBondContact O-CB 3.3Å; T54-S57 PolarHBondContact O-N 2.98Å; S57-A60 PolarHBondContact O-N 2.89Å; S57-Y61 VanDerWaalsContact O-CB 3.26Å; S57-Y61 WeakPolarHBondContact O-CB 3.5Å; S57-Y61 PolarHBondContact O-N 3.27Å |
| 58 | I | 90.9 | Very high | 89.3 | Confident | 10 Ų | 10 | 40.8 Ų | 40.8 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -45.6 | 172.6 | -65.9 | 165.6 | 0 | 0 | 0 | 110.3 | T54 F56 Y61 E62 F80 L83 | T54-I58 VanDerWaalsContact O-CG1 3.27Å; T54-I58 WeakPolarHBondContact O-CG1 3.46Å; T54-I58 PolarHBondContact O-N 3.43Å; F56-I58 VanDerWaalsContact C-N 3.28Å; F56-I58 PolarHBondContact O-N 3.44Å; I58-Y61 PolarHBondContact O-N 3.32Å; I58-E62 HydrophobicContact CG2-CG 4.44Å; I58-E62 WeakPolarHBondContact O-CB 3.32Å; I58-E62 WeakPolarHBondContact O-CG 3.38Å; I58-E62 PolarHBondContact O-N 3.07Å; I58-F80 HydrophobicContact CG1-CD1 4.14Å; I58-F80 HydrophobicContact CG2-CB 4.08Å; I58-F80 HydrophobicContact CG2-CD1 4.18Å; I58-F80 HydrophobicContact CG2-CG 4.47Å; I58-L83 HydrophobicContact CD1-CB 4.34Å; I58-L83 HydrophobicContact CD1-CD2 3.7Å; I58-L83 HydrophobicContact CD1-CG 3.89Å |
| 59 | Y | 91.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.5 | -52.3 | 174.8 | 156.5 | -97.9 | 0 | 0 | 0 | 111.7 | S55 F56 Y61 E62 A63 I135 R138 F139 G182 Y207 | S55-Y59 PolarHBondContact O-N 3.31Å; F56-Y59 AromaticContact CD2-CD1 3.95Å; F56-Y59 HydrophobicContact CD2-CD1 3.95Å; F56-Y59 AromaticContact CE2-CD1 3.56Å; F56-Y59 HydrophobicContact CE2-CD1 3.56Å; F56-Y59 AromaticContact CE2-CE1 3.87Å; F56-Y59 HydrophobicContact CE2-CE1 3.87Å; F56-Y59 HydrophobicContact CZ-CD1 4.12Å; F56-Y59 HydrophobicContact CZ-CE1 4.28Å; F56-Y59 WeakPolarHBondContact O-CA 3.23Å; F56-Y59 WeakPolarHBondContact O-CB 3.25Å; F56-Y59 PolarHBondContact O-N 3.34Å; F56-Y59 VanDerWaalsContact O-N 3.07Å; Y59-Y61 VanDerWaalsContact C-N 3.27Å; Y59-Y61 PolarHBondContact O-N 3.23Å; Y59-E62 PolarHBondContact O-N 3.43Å; Y59-A63 HydrophobicContact CD2-CB 4.49Å; Y59-A63 HydrophobicContact CE2-CB 3.99Å; Y59-A63 WeakPolarHBondContact O-CB 3.21Å; Y59-A63 PolarHBondContact O-N 3.17Å; Y59-I135 HydrophobicContact CD2-CG2 4.21Å; Y59-I135 HydrophobicContact CE2-CG2 3.7Å; Y59-R138 HydrophobicContact CD2-CB 3.71Å; Y59-R138 HydrophobicContact CE2-CB 4.46Å; Y59-R138 HydrophobicContact CG-CB 4.2Å; Y59-F139 HydrophobicContact CD1-CB 4.32Å; Y59-F139 HydrophobicContact CE1-CB 3.56Å; Y59-F139 HydrophobicContact CE2-CB 4.15Å; Y59-F139 VanDerWaalsContact CZ-CB 3.49Å; Y59-G182 WeakPolarHBondContact OH-CA 3.33Å; Y59-Y207 HydrophobicContact CE1-CD2 4.34Å; Y59-Y207 AromaticContact CE1-CE2 3.95Å; Y59-Y207 HydrophobicContact CE1-CE2 3.95Å; Y59-Y207 WeakPolarHBondContact OH-CD2 3.49Å; Y59-Y207 WeakPolarHBondContact OH-CE2 3.44Å |
| 60 | A | 92.2 | Very high | 88.2 | Confident | 19 Ų | 19 | 44 Ų | 44 | 16% | 0.157 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.5 | -39.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F56 S57 T64 Y207 | F56-A60 HydrophobicContact CE1-CB 4.19Å; F56-A60 HydrophobicContact CZ-CB 4.4Å; F56-A60 PolarHBondContact O-N 3.37Å; S57-A60 PolarHBondContact O-N 2.89Å; A60-T64 WeakPolarHBondContact O-CB 3.34Å; A60-T64 PolarHBondContact O-N 3.29Å; A60-T64 VanDerWaalsContact O-N 3.08Å; A60-T64 PolarHBondContact O-OG1 3.49Å; A60-Y207 HydrophobicContact CB-CD1 4.13Å; A60-Y207 HydrophobicContact CB-CE1 4.03Å |
| 61 | Y | 90.5 | Very high | 87.8 | Confident | 119 Ų | 119 | 45.3 Ų | 45.3 | 47% | 0.467 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.6 | -48 | 174.9 | -177 | -97.2 | 0 | 0 | 0 | 112.1 | S57 I58 Y59 A63 T64 I65 F80 | S57-Y61 VanDerWaalsContact O-CB 3.26Å; S57-Y61 WeakPolarHBondContact O-CB 3.5Å; S57-Y61 PolarHBondContact O-N 3.27Å; I58-Y61 PolarHBondContact O-N 3.32Å; Y59-Y61 VanDerWaalsContact C-N 3.27Å; Y59-Y61 PolarHBondContact O-N 3.23Å; Y61-A63 PolarHBondContact O-N 3.27Å; Y61-T64 PolarHBondContact O-N 3.09Å; Y61-I65 HydrophobicContact CD1-CD1 3.87Å; Y61-I65 HydrophobicContact CD2-CD1 3.82Å; Y61-I65 HydrophobicContact CE1-CD1 3.33Å; Y61-I65 HydrophobicContact CE2-CD1 3.3Å; Y61-I65 HydrophobicContact CE2-CG1 4.5Å; Y61-I65 HydrophobicContact CG-CD1 4.09Å; Y61-I65 PolarHBondContact O-N 3.25Å; Y61-I65 VanDerWaalsContact O-N 3.12Å; Y61-I65 VanDerWaalsContact OH-CD1 3.27Å; Y61-I65 WeakPolarHBondContact OH-CD1 3.48Å; Y61-F80 HydrophobicContact CD1-CD2 4.44Å; Y61-F80 HydrophobicContact CD1-CE1 4.38Å; Y61-F80 AromaticContact CD1-CE2 3.88Å; Y61-F80 HydrophobicContact CD1-CE2 3.88Å; Y61-F80 AromaticContact CD1-CZ 3.84Å; Y61-F80 HydrophobicContact CD1-CZ 3.84Å; Y61-F80 HydrophobicContact CE1-CD2 4.2Å; Y61-F80 HydrophobicContact CE1-CE1 4.47Å; Y61-F80 AromaticContact CE1-CE2 3.36Å; Y61-F80 HydrophobicContact CE1-CE2 3.36Å; Y61-F80 AromaticContact CE1-CZ 3.52Å; Y61-F80 HydrophobicContact CE1-CZ 3.52Å |
| 62 | E | 88.6 | Confident | 87.1 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 7% | 0.065 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -38.3 | 179.6 | -74.9 | -175.7 | 155.5 | 0 | 0 | 113.1 | I58 Y59 T64 W66 R138 | I58-E62 HydrophobicContact CG2-CG 4.44Å; I58-E62 WeakPolarHBondContact O-CB 3.32Å; I58-E62 WeakPolarHBondContact O-CG 3.38Å; I58-E62 PolarHBondContact O-N 3.07Å; Y59-E62 PolarHBondContact O-N 3.43Å; E62-T64 VanDerWaalsContact C-N 3.33Å; E62-W66 PolarHBondContact O-N 3.44Å; E62-R138 IonicContact OE2-CZ 3.48Å; E62-R138 IonicContact OE2-NH1 2.88Å; E62-R138 PolarHBondContact OE2-NH1 3.26Å; E62-R138 IonicContact OE2-NH2 3.04Å; E62-R138 PolarHBondContact OE2-NH2 3.45Å |
| 63 | A | 89 | Confident | 86.4 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73 | -22.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y59 Y61 Y207 | Y59-A63 HydrophobicContact CD2-CB 4.49Å; Y59-A63 HydrophobicContact CE2-CB 3.99Å; Y59-A63 WeakPolarHBondContact O-CB 3.21Å; Y59-A63 PolarHBondContact O-N 3.17Å; Y61-A63 PolarHBondContact O-N 3.27Å; A63-Y207 HydrophobicContact CB-CG 4.36Å |
| 64 | T | 90.2 | Very high | 85 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 27% | 0.27 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -82.6 | -44.1 | 177 | -58.2 | 0 | 0 | 0 | 0 | 112 | A60 Y61 E62 T208 | A60-T64 WeakPolarHBondContact O-CB 3.34Å; A60-T64 PolarHBondContact O-N 3.29Å; A60-T64 VanDerWaalsContact O-N 3.08Å; A60-T64 PolarHBondContact O-OG1 3.49Å; Y61-T64 PolarHBondContact O-N 3.09Å; E62-T64 VanDerWaalsContact C-N 3.33Å; T64-T208 HydrophobicContact CG2-CG2 3.73Å |
| 65 | I | 87.2 | Confident | 83.7 | Confident | 74 Ų | 74 | 50.6 Ų | 50.6 | 38% | 0.379 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -79.4 | -32.1 | -172.5 | -69 | 172.8 | 0 | 0 | 0 | 112.5 | Y61 P67 | Y61-I65 HydrophobicContact CD1-CD1 3.87Å; Y61-I65 HydrophobicContact CD2-CD1 3.82Å; Y61-I65 HydrophobicContact CE1-CD1 3.33Å; Y61-I65 HydrophobicContact CE2-CD1 3.3Å; Y61-I65 HydrophobicContact CE2-CG1 4.5Å; Y61-I65 HydrophobicContact CG-CD1 4.09Å; Y61-I65 PolarHBondContact O-N 3.25Å; Y61-I65 VanDerWaalsContact O-N 3.12Å; Y61-I65 VanDerWaalsContact OH-CD1 3.27Å; Y61-I65 WeakPolarHBondContact OH-CD1 3.48Å; I65-P67 WeakPolarHBondContact O-CD 3.49Å |
| 66 | W | 83.7 | Confident | 82.5 | Confident | 85 Ų | 85 | 55.2 Ų | 55.2 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | trans | -125.7 | 63.8 | -173.3 | -52.7 | 97.1 | 0 | 0 | 0 | 111 | E62 S68 K72 K76 | E62-W66 PolarHBondContact O-N 3.44Å; W66-S68 VanDerWaalsContact C-N 3.28Å; W66-S68 PolarHBondContact O-N 3.02Å; W66-K72 VanDerWaalsContact CD1-NZ 3.28Å; W66-K72 VanDerWaalsContact CG-NZ 3.28Å; W66-K76 HydrophobicContact CE3-CD 4.44Å; W66-K76 HydrophobicContact CH2-CD 3.91Å; W66-K76 HydrophobicContact CZ2-CD 4.35Å; W66-K76 HydrophobicContact CZ3-CD 3.96Å | ||
| 67 | P | 81.1 | Confident | 81.6 | Confident | 26 Ų | 26 | 56.1 Ų | 56.1 | 17% | 0.169 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -26.3 | -174.7 | 29.8 | -36.3 | 0 | 0 | 0 | 113 | I65 N189 P204 P206 | I65-P67 WeakPolarHBondContact O-CD 3.49Å; P67-N189 PolarHBondContact O-ND2 3.49Å; P67-P204 HydrophobicContact CB-CB 4.12Å; P67-P204 HydrophobicContact CG-CB 4.35Å; P67-P206 HydrophobicContact CB-CB 4.44Å |
| 68 | S | 74.2 | Confident | 81.1 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 59% | 0.587 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -14.1 | -177.2 | 55 | 0 | 0 | 0 | 0 | 114.7 | W66 | W66-S68 VanDerWaalsContact C-N 3.28Å; W66-S68 PolarHBondContact O-N 3.02Å |
| 69 | E | 76 | Confident | 80.8 | Confident | 55 Ų | 55 | 69.8 Ų | 69.8 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | trans | -116.2 | 86 | -173.6 | -61.9 | 178.1 | -179 | 0 | 0 | 110.1 | E71 K72 K76 | E69-E71 VanDerWaalsContact C-N 3.31Å; E69-K72 HydrophobicContact CB-CD 4.33Å; E69-K72 HydrophobicContact CB-CG 3.77Å; E69-K72 WeakPolarHBondContact O-CE 3.42Å; E69-K72 WeakPolarHBondContact OE2-CG 3.38Å; E69-K76 IonicContact OE1-NZ 3.27Å; E69-K76 PolarHBondContact OE1-NZ 3.47Å; E69-K76 IonicContact OE2-NZ 3.22Å | ||
| 70 | I | 79.8 | Confident | 80.5 | Confident | 35 Ų | 35 | 73.1 Ų | 73.1 | 18% | 0.179 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -64.3 | -37.8 | 176.1 | -65.5 | 165 | 0 | 0 | 0 | 111.6 | I135 N189 T190 | I70-I135 PolarHBondContact O-N 3.33Å; I70-I135 VanDerWaalsContact O-N 3.09Å; I70-N189 HydrophobicContact CD1-CB 4.23Å; I70-N189 WeakPolarHBondContact CD1-O 3.41Å; I70-N189 HydrophobicContact CG1-CB 4.28Å; I70-T190 VanDerWaalsContact CD1-CA 3.42Å |
| 71 | E | 82.4 | Confident | 80.1 | Confident | 121 Ų | 121 | 73.8 Ų | 73.8 | 57% | 0.565 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128.8 | 173.3 | -70.4 | -169.4 | 174.4 | 0 | 0 | 110.1 | E69 T133 W134 | E69-E71 VanDerWaalsContact C-N 3.31Å; E71-T133 WeakPolarHBondContact CA-O 3.38Å; E71-W134 HydrophobicContact CG-CB 4.47Å; E71-W134 HydrophobicContact CG-CG 4.38Å |
| 72 | K | 77.5 | Confident | 80 | Confident | 13 Ų | 13 | 73.2 Ų | 73.2 | 6% | 0.057 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 135 | 179.8 | -52.4 | 173.7 | -170 | 159.8 | 0 | 111.2 | W66 E69 R132 T133 | W66-K72 VanDerWaalsContact CD1-NZ 3.28Å; W66-K72 VanDerWaalsContact CG-NZ 3.28Å; E69-K72 HydrophobicContact CB-CD 4.33Å; E69-K72 HydrophobicContact CB-CG 3.77Å; E69-K72 WeakPolarHBondContact O-CE 3.42Å; E69-K72 WeakPolarHBondContact OE2-CG 3.38Å; K72-R132 WeakPolarHBondContact O-CA 3.33Å; K72-T133 WeakPolarHBondContact CB-OG1 3.26Å; K72-T133 PolarHBondContact N-O 3.2Å; K72-T133 PolarHBondContact O-N 2.9Å |
| 73 | C | 77.6 | Confident | 80.1 | Confident | 86 Ų | 86 | 76.2 Ų | 76.2 | 58% | 0.581 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 139.3 | 175 | -69.4 | 0 | 0 | 0 | 0 | 112.4 | H75 | C73-H75 PolarHBondContact O-N 3.48Å |
| 74 | G | 61.8 | Low | 80.1 | Confident | 38 Ų | 38 | 76.5 Ų | 76.5 | 39% | 0.392 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -48 | 135.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | K131 | G74-K131 PolarHBondContact N-O 3.05Å; G74-K131 VanDerWaalsContact N-O 3.13Å |
| 75 | H | 65.6 | Low | 80.1 | Confident | 155 Ų | 155 | 76.3 Ų | 76.3 | 72% | 0.718 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.7 | -31.4 | -174.1 | -87.5 | -75.6 | 0 | 0 | 0 | 116.8 | C73 | C73-H75 PolarHBondContact O-N 3.48Š|
| 76 | K | 67.6 | Low | 80.3 | Confident | 97 Ų | 97 | 75.2 Ų | 75.2 | 42% | 0.422 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 134.6 | 178.7 | -66.4 | -178.2 | -175 | 175.1 | 0 | 110.6 | W66 E69 R78 R81 | W66-K76 HydrophobicContact CE3-CD 4.44Å; W66-K76 HydrophobicContact CH2-CD 3.91Å; W66-K76 HydrophobicContact CZ2-CD 4.35Å; W66-K76 HydrophobicContact CZ3-CD 3.96Å; E69-K76 IonicContact OE1-NZ 3.27Å; E69-K76 PolarHBondContact OE1-NZ 3.47Å; E69-K76 IonicContact OE2-NZ 3.22Å; K76-R78 PolarHBondContact O-N 3.1Å; K76-R81 PolarHBondContact O-NH2 3.08Å |
| 77 | G | 74.7 | Confident | 80.7 | Confident | 30 Ų | 30 | 72.2 Ų | 72.2 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 20.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | K79 F80 R81 | G77-K79 PolarHBondContact O-N 3.31Å; G77-K79 VanDerWaalsContact O-N 3.1Å; G77-F80 PolarHBondContact O-N 3.13Å; G77-R81 PolarHBondContact O-N 2.7Å |
| 78 | R | 80.2 | Confident | 81.2 | Confident | 180 Ų | 180 | 71 Ų | 71 | 68% | 0.679 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -50.9 | -38.9 | -175.4 | -171.3 | 175.6 | -178.9 | 163.2 | -0.5 | 114.3 | K76 L82 | K76-R78 PolarHBondContact O-N 3.1Å; R78-L82 PolarHBondContact O-N 2.87Å |
| 79 | K | 84.6 | Confident | 82.1 | Confident | 187 Ų | 187 | 71 Ų | 71 | 81% | 0.813 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64 | -48.2 | 177.3 | -67.9 | -173.9 | 178.3 | -177.4 | 0 | 112.1 | G77 R81 L82 L83 | G77-K79 PolarHBondContact O-N 3.31Å; G77-K79 VanDerWaalsContact O-N 3.1Å; K79-R81 VanDerWaalsContact C-N 3.35Å; K79-R81 PolarHBondContact O-N 3.42Å; K79-L82 PolarHBondContact O-N 3.21Å; K79-L83 PolarHBondContact O-N 3.45Å |
| 80 | F | 86.5 | Confident | 82.9 | Confident | 73 Ų | 73 | 69.8 Ų | 69.8 | 32% | 0.32 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65 | -38.5 | 178.2 | -70.9 | -64.4 | 0 | 0 | 0 | 112.2 | I58 Y61 G77 L83 D84 | I58-F80 HydrophobicContact CG1-CD1 4.14Å; I58-F80 HydrophobicContact CG2-CB 4.08Å; I58-F80 HydrophobicContact CG2-CD1 4.18Å; I58-F80 HydrophobicContact CG2-CG 4.47Å; Y61-F80 HydrophobicContact CD1-CD2 4.44Å; Y61-F80 HydrophobicContact CD1-CE1 4.38Å; Y61-F80 AromaticContact CD1-CE2 3.88Å; Y61-F80 HydrophobicContact CD1-CE2 3.88Å; Y61-F80 AromaticContact CD1-CZ 3.84Å; Y61-F80 HydrophobicContact CD1-CZ 3.84Å; Y61-F80 HydrophobicContact CE1-CD2 4.2Å; Y61-F80 HydrophobicContact CE1-CE1 4.47Å; Y61-F80 AromaticContact CE1-CE2 3.36Å; Y61-F80 HydrophobicContact CE1-CE2 3.36Å; Y61-F80 AromaticContact CE1-CZ 3.52Å; Y61-F80 HydrophobicContact CE1-CZ 3.52Å; G77-F80 PolarHBondContact O-N 3.13Å; F80-L83 PolarHBondContact O-N 3.49Å; F80-D84 WeakPolarHBondContact O-CB 3.38Å; F80-D84 PolarHBondContact O-N 3.33Å |
| 81 | R | 83.8 | Confident | 83.5 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 12% | 0.121 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.1 | -43.8 | 175.3 | -166.6 | -171 | -47.8 | 170.9 | 3.1 | 112.6 | K76 G77 K79 F85 F128 T133 | K76-R81 PolarHBondContact O-NH2 3.08Å; G77-R81 PolarHBondContact O-N 2.7Å; K79-R81 VanDerWaalsContact C-N 3.35Å; K79-R81 PolarHBondContact O-N 3.42Å; R81-F85 VanDerWaalsContact O-CB 3.31Å; R81-F85 WeakPolarHBondContact O-CB 3.22Å; R81-F85 PolarHBondContact O-N 3.5Å; R81-F128 HydrophobicContact CG-CD2 4.43Å; R81-T133 HydrophobicContact CB-CG2 4.46Å; R81-T133 HydrophobicContact CG-CG2 3.76Å |
| 82 | L | 88 | Confident | 84 | Confident | 107 Ų | 107 | 65.7 Ų | 65.7 | 56% | 0.56 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.7 | -42.9 | 176.9 | -179 | 64.3 | 0 | 0 | 0 | 111.2 | R78 K79 F85 A86 | R78-L82 PolarHBondContact O-N 2.87Å; K79-L82 PolarHBondContact O-N 3.21Å; L82-F85 PolarHBondContact O-N 3.05Å; L82-A86 PolarHBondContact O-N 3.07Å |
| 83 | L | 90.2 | Very high | 84.8 | Confident | 77 Ų | 77 | 69.3 Ų | 69.3 | 40% | 0.403 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 177.6 | -174.6 | 62.1 | 0 | 0 | 0 | 111.6 | I58 K79 F80 F85 A86 M87 | I58-L83 HydrophobicContact CD1-CB 4.34Å; I58-L83 HydrophobicContact CD1-CD2 3.7Å; I58-L83 HydrophobicContact CD1-CG 3.89Å; K79-L83 PolarHBondContact O-N 3.45Å; F80-L83 PolarHBondContact O-N 3.49Å; L83-F85 VanDerWaalsContact C-N 3.32Å; L83-F85 PolarHBondContact O-N 3.28Å; L83-A86 PolarHBondContact O-N 3.32Å; L83-M87 HydrophobicContact CD1-CE 3.87Å; L83-M87 WeakPolarHBondContact O-CG 3.01Å; L83-M87 PolarHBondContact O-N 3.32Å |
| 84 | D | 88.9 | Confident | 85.4 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.8 | -38 | 177.5 | -162.6 | 48.2 | 0 | 0 | 0 | 111.4 | S55 F80 M87 N88 R138 R141 | S55-D84 PolarHBondContact OG-OD1 3.28Å; F80-D84 WeakPolarHBondContact O-CB 3.38Å; F80-D84 PolarHBondContact O-N 3.33Å; D84-M87 PolarHBondContact O-N 2.89Å; D84-N88 PolarHBondContact O-N 3.05Å; D84-N88 PolarHBondContact O-ND2 3.19Å; D84-N88 PolarHBondContact OD1-ND2 3.45Å; D84-N88 PolarHBondContact OD2-ND2 3.19Å; D84-R138 IonicContact OD1-NH2 3.26Å; D84-R138 IonicContact OD2-CZ 2.85Å; D84-R138 VanDerWaalsContact OD2-CZ 3.26Å; D84-R138 IonicContact OD2-NE 3.24Å; D84-R138 PolarHBondContact OD2-NE 3.33Å; D84-R138 IonicContact OD2-NH2 2.68Å; D84-R138 PolarHBondContact OD2-NH2 3.22Å; D84-R141 VanDerWaalsContact CG-NH1 3.32Å; D84-R141 IonicContact OD1-CZ 2.7Å; D84-R141 IonicContact OD1-NH1 3.39Å; D84-R141 PolarHBondContact OD1-NH1 3.44Å; D84-R141 IonicContact OD1-NH2 2.95Å; D84-R141 PolarHBondContact OD1-NH2 3.11Å; D84-R141 IonicContact OD2-CZ 3.88Å; D84-R141 IonicContact OD2-NH1 3.76Å; D84-R141 PolarHBondContact OD2-NH1 3.23Å; D84-R141 IonicContact OD2-NH2 3.54Å; D84-R141 PolarHBondContact OD2-NH2 2.67Å |
| 85 | F | 90 | Very high | 86.8 | Confident | 41 Ų | 41 | 65.7 Ų | 65.7 | 18% | 0.18 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 173.8 | 178.5 | -105 | 0 | 0 | 0 | 111.9 | R81 L82 L83 M87 N88 I89 L125 F128 | R81-F85 VanDerWaalsContact O-CB 3.31Å; R81-F85 WeakPolarHBondContact O-CB 3.22Å; R81-F85 PolarHBondContact O-N 3.5Å; L82-F85 PolarHBondContact O-N 3.05Å; L83-F85 VanDerWaalsContact C-N 3.32Å; L83-F85 PolarHBondContact O-N 3.28Å; F85-M87 VanDerWaalsContact C-N 3.34Å; F85-M87 PolarHBondContact O-N 2.93Å; F85-N88 PolarHBondContact O-N 3.48Å; F85-I89 HydrophobicContact CD1-CD1 3.93Å; F85-I89 HydrophobicContact CE1-CD1 3.43Å; F85-I89 VanDerWaalsContact CE1-CD1 3.43Å; F85-I89 HydrophobicContact CE1-CG1 4.37Å; F85-I89 HydrophobicContact CE2-CD1 4.45Å; F85-I89 HydrophobicContact CZ-CD1 3.74Å; F85-I89 HydrophobicContact CZ-CG1 4.34Å; F85-I89 WeakPolarHBondContact O-CG1 3.36Å; F85-I89 PolarHBondContact O-N 3.5Å; F85-L125 HydrophobicContact CD2-CD2 4.07Å; F85-L125 HydrophobicContact CE2-CD2 3.7Å; F85-F128 HydrophobicContact CB-CD2 3.77Å; F85-F128 HydrophobicContact CB-CE2 4.09Å; F85-F128 HydrophobicContact CB-CG 4.35Å; F85-F128 HydrophobicContact CD1-CD1 4.47Å; F85-F128 HydrophobicContact CD1-CD2 4.24Å; F85-F128 HydrophobicContact CD1-CE1 4.3Å; F85-F128 HydrophobicContact CD1-CE2 4.05Å; F85-F128 HydrophobicContact CD1-CG 4.44Å; F85-F128 HydrophobicContact CD1-CZ 4.08Å; F85-F128 HydrophobicContact CD2-CB 3.58Å; F85-F128 AromaticContact CD2-CD1 3.82Å; F85-F128 HydrophobicContact CD2-CD1 3.82Å; F85-F128 AromaticContact CD2-CD2 3.75Å; F85-F128 HydrophobicContact CD2-CD2 3.75Å; F85-F128 HydrophobicContact CD2-CE1 4.43Å; F85-F128 HydrophobicContact CD2-CE2 4.37Å; F85-F128 AromaticContact CD2-CG 3.43Å; F85-F128 HydrophobicContact CD2-CG 3.43Å; F85-F128 VanDerWaalsContact CD2-CG 3.43Å; F85-F128 HydrophobicContact CE1-CD1 4.27Å; F85-F128 HydrophobicContact CE1-CE1 4.03Å; F85-F128 HydrophobicContact CE1-CZ 4.2Å; F85-F128 HydrophobicContact CE2-CB 3.91Å; F85-F128 AromaticContact CE2-CD1 3.59Å; F85-F128 HydrophobicContact CE2-CD1 3.59Å; F85-F128 HydrophobicContact CE2-CD2 4.38Å; F85-F128 HydrophobicContact CE2-CE1 4.19Å; F85-F128 AromaticContact CE2-CG 3.7Å; F85-F128 HydrophobicContact CE2-CG 3.7Å; F85-F128 HydrophobicContact CG-CB 4.36Å; F85-F128 HydrophobicContact CG-CD1 4.25Å; F85-F128 AromaticContact CG-CD2 3.65Å; F85-F128 HydrophobicContact CG-CD2 3.65Å; F85-F128 HydrophobicContact CG-CE1 4.48Å; F85-F128 AromaticContact CG-CE2 3.92Å; F85-F128 HydrophobicContact CG-CE2 3.92Å; F85-F128 AromaticContact CG-CG 3.83Å; F85-F128 HydrophobicContact CG-CG 3.83Å; F85-F128 HydrophobicContact CG-CZ 4.32Å; F85-F128 AromaticContact CZ-CD1 3.84Å; F85-F128 HydrophobicContact CZ-CD1 3.84Å; F85-F128 AromaticContact CZ-CE1 3.98Å; F85-F128 HydrophobicContact CZ-CE1 3.98Å; F85-F128 HydrophobicContact CZ-CG 4.32Å |
| 86 | A | 91.9 | Very high | 88.1 | Confident | 51 Ų | 51 | 61.7 Ų | 61.7 | 42% | 0.421 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L82 L83 I89 F90 | L82-A86 PolarHBondContact O-N 3.07Å; L83-A86 PolarHBondContact O-N 3.32Å; A86-I89 PolarHBondContact O-N 3.22Å; A86-F90 PolarHBondContact O-N 3.16Å |
| 87 | M | 92.3 | Very high | 89.2 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 11% | 0.108 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67 | -37.5 | 176.9 | -62.5 | -52.4 | 177.3 | 0 | 0 | 112.6 | F51 L83 D84 F85 I89 F90 F91 | F51-M87 HydrophobicContact CB-SD 3.71Å; F51-M87 HydrophobicContact CD1-CE 3.48Å; F51-M87 VanDerWaalsContact CD1-CE 3.48Å; F51-M87 HydrophobicContact CD1-SD 3.35Å; F51-M87 WeakPolarHBondContact CD1-SD 3.48Å; F51-M87 HydrophobicContact CD2-SD 3.47Å; F51-M87 WeakPolarHBondContact CD2-SD 3.46Å; F51-M87 HydrophobicContact CE1-CE 3.53Å; F51-M87 HydrophobicContact CE1-SD 3.71Å; F51-M87 HydrophobicContact CE2-SD 3.82Å; F51-M87 HydrophobicContact CG-CE 4.04Å; F51-M87 HydrophobicContact CG-SD 3.22Å; F51-M87 WeakPolarHBondContact CG-SD 3.48Å; F51-M87 HydrophobicContact CZ-CE 4.12Å; F51-M87 HydrophobicContact CZ-SD 3.93Å; L83-M87 HydrophobicContact CD1-CE 3.87Å; L83-M87 WeakPolarHBondContact O-CG 3.01Å; L83-M87 PolarHBondContact O-N 3.32Å; D84-M87 PolarHBondContact O-N 2.89Å; F85-M87 VanDerWaalsContact C-N 3.34Å; F85-M87 PolarHBondContact O-N 2.93Å; M87-I89 VanDerWaalsContact C-N 3.34Å; M87-F90 WeakPolarHBondContact O-CB 3.14Å; M87-F90 PolarHBondContact O-N 3.32Å; M87-F90 VanDerWaalsContact O-N 3.17Å; M87-F91 HydrophobicContact CB-CE2 4.05Å; M87-F91 WeakPolarHBondContact O-CD2 3.46Å; M87-F91 WeakPolarHBondContact O-CG 3.42Å; M87-F91 PolarHBondContact O-N 3.38Å |
| 88 | N | 91.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.1 | -27.2 | 177.2 | -73.9 | -76.7 | 0 | 0 | 0 | 113.1 | D84 F85 F90 F91 L92 T124 R141 | D84-N88 PolarHBondContact O-N 3.05Å; D84-N88 PolarHBondContact O-ND2 3.19Å; D84-N88 PolarHBondContact OD1-ND2 3.45Å; D84-N88 PolarHBondContact OD2-ND2 3.19Å; F85-N88 PolarHBondContact O-N 3.48Å; N88-F90 VanDerWaalsContact C-N 3.33Å; N88-F91 PolarHBondContact O-N 2.99Å; N88-L92 WeakPolarHBondContact O-CB 3.13Å; N88-L92 PolarHBondContact O-N 2.78Å; N88-T124 PolarHBondContact ND2-OG1 2.85Å; N88-T124 PolarHBondContact OD1-OG1 3.05Å; N88-R141 PolarHBondContact ND2-NH2 2.85Å; N88-R141 PolarHBondContact OD1-NH2 3.17Å |
| 89 | I | 93.1 | Very high | 90.4 | Very high | 84 Ų | 84 | 52.1 Ų | 52.1 | 43% | 0.431 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 167.3 | -68.4 | 171.2 | 0 | 0 | 0 | 110.3 | F85 A86 M87 L92 L93 | F85-I89 HydrophobicContact CD1-CD1 3.93Å; F85-I89 HydrophobicContact CE1-CD1 3.43Å; F85-I89 VanDerWaalsContact CE1-CD1 3.43Å; F85-I89 HydrophobicContact CE1-CG1 4.37Å; F85-I89 HydrophobicContact CE2-CD1 4.45Å; F85-I89 HydrophobicContact CZ-CD1 3.74Å; F85-I89 HydrophobicContact CZ-CG1 4.34Å; F85-I89 WeakPolarHBondContact O-CG1 3.36Å; F85-I89 PolarHBondContact O-N 3.5Å; A86-I89 PolarHBondContact O-N 3.22Å; M87-I89 VanDerWaalsContact C-N 3.34Å; I89-L92 WeakPolarHBondContact O-CB 3.23Å; I89-L92 PolarHBondContact O-N 2.94Å; I89-L93 PolarHBondContact O-N 2.65Å |
| 90 | F | 93.4 | Very high | 90.7 | Very high | 30 Ų | 30 | 46 Ų | 46 | 13% | 0.132 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 175.6 | -179.9 | -85.3 | 0 | 0 | 0 | 111.8 | F44 L47 F51 A86 M87 N88 L92 L93 H94 | F44-F90 AromaticContact CD2-CE2 3.94Å; F44-F90 HydrophobicContact CD2-CE2 3.94Å; F44-F90 AromaticContact CD2-CZ 3.76Å; F44-F90 HydrophobicContact CD2-CZ 3.76Å; F44-F90 AromaticContact CE2-CE2 3.77Å; F44-F90 HydrophobicContact CE2-CE2 3.77Å; F44-F90 AromaticContact CE2-CZ 3.66Å; F44-F90 HydrophobicContact CE2-CZ 3.66Å; F44-F90 HydrophobicContact CG-CZ 4.46Å; F44-F90 HydrophobicContact CZ-CZ 4.31Å; L47-F90 HydrophobicContact CB-CZ 4.18Å; F51-F90 HydrophobicContact CD2-CB 4.04Å; F51-F90 AromaticContact CD2-CD1 3.61Å; F51-F90 HydrophobicContact CD2-CD1 3.61Å; F51-F90 HydrophobicContact CD2-CD2 4.07Å; F51-F90 HydrophobicContact CD2-CE1 4.08Å; F51-F90 HydrophobicContact CD2-CE2 4.47Å; F51-F90 AromaticContact CD2-CG 3.62Å; F51-F90 HydrophobicContact CD2-CG 3.62Å; F51-F90 HydrophobicContact CD2-CZ 4.47Å; F51-F90 HydrophobicContact CE2-CB 4.26Å; F51-F90 HydrophobicContact CE2-CD1 4.27Å; F51-F90 AromaticContact CE2-CD2 3.88Å; F51-F90 HydrophobicContact CE2-CD2 3.88Å; F51-F90 HydrophobicContact CE2-CE2 4.3Å; F51-F90 AromaticContact CE2-CG 3.86Å; F51-F90 HydrophobicContact CE2-CG 3.86Å; A86-F90 PolarHBondContact O-N 3.16Å; M87-F90 WeakPolarHBondContact O-CB 3.14Å; M87-F90 PolarHBondContact O-N 3.32Å; M87-F90 VanDerWaalsContact O-N 3.17Å; N88-F90 VanDerWaalsContact C-N 3.33Å; F90-L92 VanDerWaalsContact C-N 3.31Å; F90-L92 PolarHBondContact O-N 3.27Å; F90-L93 WeakPolarHBondContact O-CB 3.41Å; F90-L93 PolarHBondContact O-N 3.09Å; F90-H94 WeakPolarHBondContact O-CB 3.47Å; F90-H94 PolarHBondContact O-N 3.43Å |
| 91 | F | 92.9 | Very high | 90.8 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.7 | -33.3 | 175.4 | -62.7 | -51.5 | 0 | 0 | 0 | 113 | F51 M87 N88 H94 F95 I121 R144 | F51-F91 VanDerWaalsContact C-CZ 3.49Å; F51-F91 HydrophobicContact CB-CE1 4.19Å; F51-F91 HydrophobicContact CB-CZ 3.8Å; M87-F91 HydrophobicContact CB-CE2 4.05Å; M87-F91 WeakPolarHBondContact O-CD2 3.46Å; M87-F91 WeakPolarHBondContact O-CG 3.42Å; M87-F91 PolarHBondContact O-N 3.38Å; N88-F91 PolarHBondContact O-N 2.99Å; F91-H94 PolarHBondContact O-N 3.09Å; F91-F95 WeakPolarHBondContact O-CB 3.4Å; F91-F95 PolarHBondContact O-N 2.88Å; F91-I121 HydrophobicContact CB-CD1 3.74Å; F91-I121 HydrophobicContact CB-CG1 4.14Å; F91-R144 VanDerWaalsContact CG-NH1 3.35Å |
| 92 | L | 92.8 | Very high | 90.9 | Very high | 65 Ų | 65 | 43 Ų | 43 | 34% | 0.34 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64 | -43.4 | 172.8 | -178.3 | 66.3 | 0 | 0 | 0 | 110.9 | N88 I89 F90 H94 F95 I96 I121 L125 | N88-L92 WeakPolarHBondContact O-CB 3.13Å; N88-L92 PolarHBondContact O-N 2.78Å; I89-L92 WeakPolarHBondContact O-CB 3.23Å; I89-L92 PolarHBondContact O-N 2.94Å; F90-L92 VanDerWaalsContact C-N 3.31Å; F90-L92 PolarHBondContact O-N 3.27Å; L92-H94 VanDerWaalsContact C-N 3.35Å; L92-F95 WeakPolarHBondContact O-CB 3.46Å; L92-F95 PolarHBondContact O-N 3.1Å; L92-I96 HydrophobicContact CG-CD1 4.14Å; L92-I96 VanDerWaalsContact O-CG1 3.28Å; L92-I96 WeakPolarHBondContact O-CG1 3.18Å; L92-I96 PolarHBondContact O-N 3.42Å; L92-I121 HydrophobicContact CB-CG2 4.15Å; L92-I121 HydrophobicContact CD1-CG2 4.28Å; L92-L125 HydrophobicContact CD2-CD1 4.2Å |
| 93 | L | 92.4 | Very high | 90.8 | Very high | 90 Ų | 90 | 42.2 Ų | 42.2 | 47% | 0.471 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 173.4 | -178.1 | 67.9 | 0 | 0 | 0 | 111 | F44 I89 F90 F95 I96 V97 | F44-L93 HydrophobicContact CE2-CD2 4.4Å; I89-L93 PolarHBondContact O-N 2.65Å; F90-L93 WeakPolarHBondContact O-CB 3.41Å; F90-L93 PolarHBondContact O-N 3.09Å; L93-F95 VanDerWaalsContact C-N 3.34Å; L93-F95 PolarHBondContact O-N 3.44Å; L93-I96 PolarHBondContact O-N 3.4Å; L93-V97 HydrophobicContact CG-CG2 4.49Å; L93-V97 VanDerWaalsContact O-CG2 3.31Å; L93-V97 WeakPolarHBondContact O-CG2 3.4Å; L93-V97 PolarHBondContact O-N 3.3Å |
| 94 | H | 91.3 | Very high | 90.7 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 11% | 0.111 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.8 | -42 | 176.2 | -173.3 | -85.7 | 0 | 0 | 0 | 112.4 | F44 F90 F91 L92 R98 | F44-H94 AromaticContact CD1-CD2 3.98Å; F44-H94 HydrophobicContact CE1-CB 4.33Å; F44-H94 AromaticContact CE1-CD2 3.26Å; F44-H94 WeakPolarHBondContact CE1-CD2 3.28Å; F44-H94 HydrophobicContact CZ-CB 4Å; F44-H94 AromaticContact CZ-CD2 3.77Å; F90-H94 WeakPolarHBondContact O-CB 3.47Å; F90-H94 PolarHBondContact O-N 3.43Å; F91-H94 PolarHBondContact O-N 3.09Å; L92-H94 VanDerWaalsContact C-N 3.35Å; H94-R98 PolarHBondContact CE1-NE 3.3Å; H94-R98 PolarHBondContact ND1-NE 3.35Å; H94-R98 WeakPolarHBondContact O-CG 3.4Å; H94-R98 PolarHBondContact O-N 2.74Å; H94-R98 VanDerWaalsContact O-N 3.07Å |
| 95 | F | 91.5 | Very high | 90.5 | Very high | 23 Ų | 23 | 45.1 Ų | 45.1 | 10% | 0.101 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 173 | 173.7 | -96.3 | 0 | 0 | 0 | 111.9 | F91 L92 L93 V97 R98 L99 F108 W109 D117 Y118 | F91-F95 WeakPolarHBondContact O-CB 3.4Å; F91-F95 PolarHBondContact O-N 2.88Å; L92-F95 WeakPolarHBondContact O-CB 3.46Å; L92-F95 PolarHBondContact O-N 3.1Å; L93-F95 VanDerWaalsContact C-N 3.34Å; L93-F95 PolarHBondContact O-N 3.44Å; F95-V97 PolarHBondContact O-N 2.94Å; F95-R98 PolarHBondContact O-N 2.87Å; F95-L99 HydrophobicContact CE1-CD2 4.45Å; F95-L99 WeakPolarHBondContact O-CB 3.44Å; F95-L99 PolarHBondContact O-N 3.44Å; F95-F108 HydrophobicContact CD2-CE1 4.13Å; F95-F108 HydrophobicContact CD2-CZ 4.04Å; F95-F108 AromaticContact CE2-CE1 3.52Å; F95-F108 HydrophobicContact CE2-CE1 3.52Å; F95-F108 AromaticContact CE2-CZ 3.87Å; F95-F108 HydrophobicContact CE2-CZ 3.87Å; F95-F108 AromaticContact CZ-CE1 3.86Å; F95-F108 HydrophobicContact CZ-CE1 3.86Å; F95-W109 HydrophobicContact CZ-CH2 4.4Å; F95-W109 HydrophobicContact CZ-CZ3 4.49Å; F95-D117 HydrophobicContact CD2-CB 4.16Å; F95-Y118 HydrophobicContact CE2-CD1 4.5Å; F95-Y118 AromaticContact CE2-CE1 3.54Å; F95-Y118 HydrophobicContact CE2-CE1 3.54Å; F95-Y118 AromaticContact CZ-CE1 3.63Å; F95-Y118 HydrophobicContact CZ-CE1 3.63Å |
| 96 | I | 91.9 | Very high | 90.4 | Very high | 71 Ų | 71 | 50.2 Ų | 50.2 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 179.4 | -68.1 | 164.6 | 0 | 0 | 0 | 111.2 | L92 L93 R98 L99 I100 | L92-I96 HydrophobicContact CG-CD1 4.14Å; L92-I96 VanDerWaalsContact O-CG1 3.28Å; L92-I96 WeakPolarHBondContact O-CG1 3.18Å; L92-I96 PolarHBondContact O-N 3.42Å; L93-I96 PolarHBondContact O-N 3.4Å; I96-R98 VanDerWaalsContact C-N 3.34Å; I96-R98 PolarHBondContact O-N 3.36Å; I96-L99 WeakPolarHBondContact O-CB 3.49Å; I96-L99 PolarHBondContact O-N 2.87Å; I96-I100 HydrophobicContact CG2-CD1 3.81Å; I96-I100 HydrophobicContact CG2-CG1 4.47Å; I96-I100 VanDerWaalsContact O-CG1 3.3Å; I96-I100 WeakPolarHBondContact O-CG1 3.28Å; I96-I100 PolarHBondContact O-N 2.92Å |
| 97 | V | 91 | Very high | 90.2 | Very high | 17 Ų | 17 | 53.5 Ų | 53.5 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62 | -44 | 178.1 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | A30 L33 V34 F44 L93 F95 L99 I100 A101 | A30-V97 HydrophobicContact CB-CG1 4.07Å; L33-V97 HydrophobicContact CB-CG1 4.25Å; L33-V97 HydrophobicContact CD2-CG1 4.25Å; V34-V97 HydrophobicContact CG2-CG1 3.76Å; F44-V97 HydrophobicContact CZ-CG2 4.4Å; L93-V97 HydrophobicContact CG-CG2 4.49Å; L93-V97 VanDerWaalsContact O-CG2 3.31Å; L93-V97 WeakPolarHBondContact O-CG2 3.4Å; L93-V97 PolarHBondContact O-N 3.3Å; F95-V97 PolarHBondContact O-N 2.94Å; V97-L99 PolarHBondContact O-N 2.8Å; V97-I100 PolarHBondContact O-N 3.18Å; V97-A101 WeakPolarHBondContact O-CB 3.23Å; V97-A101 PolarHBondContact O-N 3.11Å |
| 98 | R | 90.1 | Very high | 90.1 | Very high | 36 Ų | 36 | 52.8 Ų | 52.8 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 176.3 | -69.8 | -170.9 | -62.6 | 165.5 | 0 | 112.8 | V34 H94 F95 I96 I100 A101 S102 F108 Y113 D117 | V34-R98 HydrophobicContact CG2-CG 4.03Å; H94-R98 PolarHBondContact CE1-NE 3.3Å; H94-R98 PolarHBondContact ND1-NE 3.35Å; H94-R98 WeakPolarHBondContact O-CG 3.4Å; H94-R98 PolarHBondContact O-N 2.74Å; H94-R98 VanDerWaalsContact O-N 3.07Å; F95-R98 PolarHBondContact O-N 2.87Å; I96-R98 VanDerWaalsContact C-N 3.34Å; I96-R98 PolarHBondContact O-N 3.36Å; R98-I100 PolarHBondContact O-N 3.43Å; R98-A101 PolarHBondContact O-N 3.12Å; R98-S102 PolarHBondContact O-N 3.46Å; R98-F108 HydrophobicContact CB-CE2 3.59Å; R98-F108 HydrophobicContact CB-CZ 3.71Å; R98-Y113 PolarHBondContact NH2-O 3.36Å; R98-D117 IonicContact CZ-OD2 2.85Å; R98-D117 IonicContact NH2-OD2 3.26Å; R98-D117 PolarHBondContact NH2-OD2 3.26Å |
| 99 | L | 90.5 | Very high | 90 | Very high | 53 Ų | 53 | 58.9 Ų | 58.9 | 28% | 0.277 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60 | -46.3 | 174.7 | 179.2 | 65.5 | 0 | 0 | 0 | 111.2 | F95 I96 V97 A101 S102 F108 | F95-L99 HydrophobicContact CE1-CD2 4.45Å; F95-L99 WeakPolarHBondContact O-CB 3.44Å; F95-L99 PolarHBondContact O-N 3.44Å; I96-L99 WeakPolarHBondContact O-CB 3.49Å; I96-L99 PolarHBondContact O-N 2.87Å; V97-L99 PolarHBondContact O-N 2.8Å; L99-A101 VanDerWaalsContact C-N 3.3Å; L99-A101 PolarHBondContact O-N 3.46Å; L99-S102 PolarHBondContact O-N 3.09Å; L99-S102 PolarHBondContact O-OG 2.85Å; L99-F108 HydrophobicContact CB-CD1 4.18Å; L99-F108 HydrophobicContact CB-CE1 3.63Å; L99-F108 HydrophobicContact CB-CZ 4.18Å; L99-F108 HydrophobicContact CD1-CD1 3.43Å; L99-F108 VanDerWaalsContact CD1-CD1 3.43Å; L99-F108 HydrophobicContact CD1-CE1 3.7Å; L99-F108 HydrophobicContact CD1-CG 4.44Å; L99-F108 HydrophobicContact CG-CD1 4.41Å; L99-F108 HydrophobicContact CG-CE1 4.25Å |
| 100 | I | 90.2 | Very high | 89.8 | Confident | 60 Ų | 60 | 61 Ų | 61 | 31% | 0.308 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65 | -35.5 | 178.2 | -65.6 | 166.5 | 0 | 0 | 0 | 111.2 | R27 A30 I96 V97 R98 | R27-I100 HydrophobicContact CB-CG2 4.47Å; R27-I100 PolarHBondContact NH1-O 3.1Å; A30-I100 HydrophobicContact CB-CB 3.94Å; A30-I100 HydrophobicContact CB-CG2 3.61Å; I96-I100 HydrophobicContact CG2-CD1 3.81Å; I96-I100 HydrophobicContact CG2-CG1 4.47Å; I96-I100 VanDerWaalsContact O-CG1 3.3Å; I96-I100 WeakPolarHBondContact O-CG1 3.28Å; I96-I100 PolarHBondContact O-N 2.92Å; V97-I100 PolarHBondContact O-N 3.18Å; R98-I100 PolarHBondContact O-N 3.43Å |
| 101 | A | 88.2 | Confident | 89.6 | Confident | 17 Ų | 17 | 63.5 Ų | 63.5 | 14% | 0.14 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -73.9 | -29 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R27 A30 I31 V34 V97 R98 L99 S103 | R27-A101 PolarHBondContact NH2-O 3.29Å; A30-A101 HydrophobicContact CB-CB 4.12Å; I31-A101 HydrophobicContact CG1-CB 4.01Å; V34-A101 HydrophobicContact CG2-CB 4.14Å; V97-A101 WeakPolarHBondContact O-CB 3.23Å; V97-A101 PolarHBondContact O-N 3.11Å; R98-A101 PolarHBondContact O-N 3.12Å; L99-A101 VanDerWaalsContact C-N 3.3Å; L99-A101 PolarHBondContact O-N 3.46Å; A101-S103 PolarHBondContact O-N 3.47Å |
| 102 | S | 87.6 | Confident | 89.4 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 16% | 0.161 | 36% | 0.361 | C | S | . | . | trans | -61.2 | 130.5 | -174.5 | 70.5 | 0 | 0 | 0 | 0 | 113.3 | R27 R98 L99 | R27-S102 PolarHBondContact NH1-O 3.33Å; R27-S102 PolarHBondContact NH2-O 3.18Å; R98-S102 PolarHBondContact O-N 3.46Å; L99-S102 PolarHBondContact O-N 3.09Å; L99-S102 PolarHBondContact O-OG 2.85Å | ||
| 103 | S | 85.3 | Confident | 89.1 | Confident | 91 Ų | 91 | 70.1 Ų | 70.1 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -64.3 | -45.3 | 172.8 | 50.4 | 0 | 0 | 0 | 0 | 111.8 | A101 | A101-S103 PolarHBondContact O-N 3.47Š|
| 104 | D | 88.2 | Confident | 89 | Confident | 96 Ų | 96 | 65.9 Ų | 65.9 | 51% | 0.513 | 33% | 0.334 | S | S | . | . | trans | -114.5 | 96.3 | -174.6 | -60 | -56.2 | 0 | 0 | 0 | 109.3 | L106 L107 F108 | D104-L106 PolarHBondContact O-N 3.08Å; D104-L107 HydrophobicContact CB-CB 3.91Å; D104-L107 PolarHBondContact O-N 3.05Å; D104-L107 VanDerWaalsContact O-N 3.12Å; D104-F108 PolarHBondContact O-N 3.3Å | ||
| 105 | A | 84.4 | Confident | 89 | Confident | 50 Ų | 50 | 67.4 Ų | 67.4 | 41% | 0.413 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55.1 | -40.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L107 F108 W109 | A105-L107 PolarHBondContact O-N 3.35Å; A105-F108 WeakPolarHBondContact O-CB 3.44Å; A105-F108 PolarHBondContact O-N 3.26Å; A105-W109 PolarHBondContact O-N 2.98Å; A105-W109 VanDerWaalsContact O-N 3.13Å |
| 106 | L | 87.3 | Confident | 88.9 | Confident | 148 Ų | 148 | 66.4 Ų | 66.4 | 78% | 0.775 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.5 | -39.9 | 179.2 | -71.6 | 173.7 | 0 | 0 | 0 | 113.2 | D104 W109 | D104-L106 PolarHBondContact O-N 3.08Å; L106-W109 PolarHBondContact O-N 2.86Å |
| 107 | L | 89.3 | Confident | 88.9 | Confident | 119 Ų | 119 | 63.3 Ų | 63.3 | 62% | 0.623 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -70.1 | -39.6 | 177.8 | -174 | 64.9 | 0 | 0 | 0 | 110.7 | D104 A105 W109 I110 E111 | D104-L107 HydrophobicContact CB-CB 3.91Å; D104-L107 PolarHBondContact O-N 3.05Å; D104-L107 VanDerWaalsContact O-N 3.12Å; A105-L107 PolarHBondContact O-N 3.35Å; L107-W109 PolarHBondContact O-N 3Å; L107-I110 PolarHBondContact O-N 3.1Å; L107-E111 PolarHBondContact O-N 2.7Å; L107-E111 VanDerWaalsContact O-N 3.09Å |
| 108 | F | 89.7 | Confident | 88.9 | Confident | 8 Ų | 8 | 65.8 Ų | 65.8 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.7 | -34.9 | 175.7 | 178.9 | -98.7 | 0 | 0 | 0 | 112.5 | F95 R98 L99 D104 A105 I110 E111 S114 | F95-F108 HydrophobicContact CD2-CE1 4.13Å; F95-F108 HydrophobicContact CD2-CZ 4.04Å; F95-F108 AromaticContact CE2-CE1 3.52Å; F95-F108 HydrophobicContact CE2-CE1 3.52Å; F95-F108 AromaticContact CE2-CZ 3.87Å; F95-F108 HydrophobicContact CE2-CZ 3.87Å; F95-F108 AromaticContact CZ-CE1 3.86Å; F95-F108 HydrophobicContact CZ-CE1 3.86Å; R98-F108 HydrophobicContact CB-CE2 3.59Å; R98-F108 HydrophobicContact CB-CZ 3.71Å; L99-F108 HydrophobicContact CB-CD1 4.18Å; L99-F108 HydrophobicContact CB-CE1 3.63Å; L99-F108 HydrophobicContact CB-CZ 4.18Å; L99-F108 HydrophobicContact CD1-CD1 3.43Å; L99-F108 VanDerWaalsContact CD1-CD1 3.43Å; L99-F108 HydrophobicContact CD1-CE1 3.7Å; L99-F108 HydrophobicContact CD1-CG 4.44Å; L99-F108 HydrophobicContact CG-CD1 4.41Å; L99-F108 HydrophobicContact CG-CE1 4.25Å; D104-F108 PolarHBondContact O-N 3.3Å; A105-F108 WeakPolarHBondContact O-CB 3.44Å; A105-F108 PolarHBondContact O-N 3.26Å; F108-I110 PolarHBondContact O-N 2.84Å; F108-E111 WeakPolarHBondContact O-CB 3.39Å; F108-E111 PolarHBondContact O-N 2.9Å; F108-S114 WeakPolarHBondContact CE2-OG 3.41Å; F108-S114 WeakPolarHBondContact CZ-OG 3.25Å; F108-S114 WeakPolarHBondContact O-CB 3.46Å; F108-S114 PolarHBondContact O-OG 3.14Å |
| 109 | W | 88.1 | Confident | 88.9 | Confident | 128 Ų | 128 | 67.2 Ų | 67.2 | 49% | 0.485 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.6 | -26.6 | 175.9 | -77.8 | 103.4 | 0 | 0 | 0 | 113.5 | F95 A105 L106 L107 Y118 | F95-W109 HydrophobicContact CZ-CH2 4.4Å; F95-W109 HydrophobicContact CZ-CZ3 4.49Å; A105-W109 PolarHBondContact O-N 2.98Å; A105-W109 VanDerWaalsContact O-N 3.13Å; L106-W109 PolarHBondContact O-N 2.86Å; L107-W109 PolarHBondContact O-N 3Å; W109-Y118 WeakPolarHBondContact CA-OH 3.22Å; W109-Y118 HydrophobicContact CE3-CE1 4.02Å; W109-Y118 HydrophobicContact CE3-CE2 4.18Å; W109-Y118 AromaticContact CE3-CZ 3.47Å; W109-Y118 VanDerWaalsContact CE3-CZ 3.47Å; W109-Y118 AromaticContact CZ3-CE1 3.77Å; W109-Y118 HydrophobicContact CZ3-CE1 3.77Å; W109-Y118 AromaticContact CZ3-CZ 3.73Å; W109-Y118 WeakPolarHBondContact O-CE2 3.06Å; W109-Y118 PolarHBondContact O-OH 2.68Å |
| 110 | I | 90.3 | Very high | 88.9 | Confident | 128 Ų | 128 | 64.7 Ų | 64.7 | 66% | 0.656 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -98.6 | -8.9 | -178 | -59.5 | 169.9 | 0 | 0 | 0 | 111.5 | L107 F108 W112 I115 | L107-I110 PolarHBondContact O-N 3.1Å; F108-I110 PolarHBondContact O-N 2.84Å; I110-W112 PolarHBondContact O-N 3.09Å; I110-I115 WeakPolarHBondContact O-CD1 3.45Å |
| 111 | E | 88.2 | Confident | 89 | Confident | 83 Ų | 83 | 62.1 Ų | 62.1 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -61.6 | 137.1 | 179.5 | -162.1 | -177 | 159.3 | 0 | 0 | 111.7 | L107 F108 Y113 S114 I115 | L107-E111 PolarHBondContact O-N 2.7Å; L107-E111 VanDerWaalsContact O-N 3.09Å; F108-E111 WeakPolarHBondContact O-CB 3.39Å; F108-E111 PolarHBondContact O-N 2.9Å; E111-Y113 VanDerWaalsContact C-N 3.25Å; E111-Y113 PolarHBondContact O-N 3.42Å; E111-Y113 VanDerWaalsContact O-N 3.15Å; E111-S114 WeakPolarHBondContact O-CA 3.23Å; E111-S114 WeakPolarHBondContact O-CB 3.48Å; E111-S114 PolarHBondContact O-N 3.04Å; E111-I115 PolarHBondContact O-N 2.95Å; E111-I115 VanDerWaalsContact O-N 3.08Å |
| 112 | W | 88.2 | Confident | 89.1 | Confident | 142 Ų | 142 | 64.7 Ų | 64.7 | 54% | 0.538 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -54.1 | -39.8 | -174.5 | 178.5 | -113.5 | 0 | 0 | 0 | 113.3 | I110 S114 I115 L116 F143 | I110-W112 PolarHBondContact O-N 3.09Å; W112-S114 VanDerWaalsContact C-N 3.31Å; W112-S114 PolarHBondContact O-N 3.39Å; W112-I115 PolarHBondContact O-N 3.18Å; W112-L116 PolarHBondContact O-N 2.7Å; W112-F143 HydrophobicContact CZ2-CD2 4.28Å; W112-F143 HydrophobicContact CZ2-CE2 4.42Å; W112-F143 HydrophobicContact CZ2-CG 4.45Å |
| 113 | Y | 87.8 | Confident | 89.2 | Confident | 66 Ų | 66 | 66 Ų | 66 | 26% | 0.259 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.2 | -25.5 | 179 | -63.4 | -68.8 | 0 | 0 | 0 | 113.8 | R98 E111 D117 | R98-Y113 PolarHBondContact NH2-O 3.36Å; E111-Y113 VanDerWaalsContact C-N 3.25Å; E111-Y113 PolarHBondContact O-N 3.42Å; E111-Y113 VanDerWaalsContact O-N 3.15Å; Y113-D117 PolarHBondContact O-N 3.09Å |
| 114 | S | 89.8 | Confident | 89.3 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -75 | -41.1 | 173.8 | -57.3 | 0 | 0 | 0 | 0 | 110.3 | F108 E111 W112 L116 D117 Y118 | F108-S114 WeakPolarHBondContact CE2-OG 3.41Å; F108-S114 WeakPolarHBondContact CZ-OG 3.25Å; F108-S114 WeakPolarHBondContact O-CB 3.46Å; F108-S114 PolarHBondContact O-OG 3.14Å; E111-S114 WeakPolarHBondContact O-CA 3.23Å; E111-S114 WeakPolarHBondContact O-CB 3.48Å; E111-S114 PolarHBondContact O-N 3.04Å; W112-S114 VanDerWaalsContact C-N 3.31Å; W112-S114 PolarHBondContact O-N 3.39Å; S114-L116 VanDerWaalsContact C-N 3.29Å; S114-L116 PolarHBondContact O-N 3.26Å; S114-D117 WeakPolarHBondContact O-CB 3.36Å; S114-D117 PolarHBondContact O-N 3.45Å; S114-D117 VanDerWaalsContact O-N 3.09Å; S114-Y118 WeakPolarHBondContact CB-OH 3.47Å; S114-Y118 WeakPolarHBondContact O-CD1 3.5Å; S114-Y118 WeakPolarHBondContact O-CD2 3.32Å; S114-Y118 VanDerWaalsContact O-CG 3.23Å; S114-Y118 PolarHBondContact O-N 3.04Å |
| 115 | I | 90.4 | Very high | 89.4 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 29% | 0.292 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58 | -42.8 | 173.2 | -62.9 | 171.6 | 0 | 0 | 0 | 111.1 | I110 E111 W112 D117 Y118 L119 | I110-I115 WeakPolarHBondContact O-CD1 3.45Å; E111-I115 PolarHBondContact O-N 2.95Å; E111-I115 VanDerWaalsContact O-N 3.08Å; W112-I115 PolarHBondContact O-N 3.18Å; I115-D117 VanDerWaalsContact C-N 3.3Å; I115-D117 PolarHBondContact O-N 3.03Å; I115-Y118 HydrophobicContact CG1-CD2 4.49Å; I115-Y118 HydrophobicContact CG1-CE2 4.46Å; I115-Y118 PolarHBondContact O-N 3.35Å; I115-L119 HydrophobicContact CG2-CD1 4.32Å; I115-L119 WeakPolarHBondContact O-CG 3.37Å; I115-L119 PolarHBondContact O-N 2.75Å; I115-L119 VanDerWaalsContact O-N 3.13Å |
| 116 | L | 91.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58 | -42.9 | 175.2 | -172.4 | 160.9 | 0 | 0 | 0 | 111.9 | W112 S114 L119 T120 V140 F143 R144 | W112-L116 PolarHBondContact O-N 2.7Å; S114-L116 VanDerWaalsContact C-N 3.29Å; S114-L116 PolarHBondContact O-N 3.26Å; L116-L119 PolarHBondContact O-N 3.17Å; L116-T120 HydrophobicContact CD2-CG2 4.36Å; L116-T120 WeakPolarHBondContact O-CG2 3.38Å; L116-T120 PolarHBondContact O-N 2.95Å; L116-T120 PolarHBondContact O-OG1 2.96Å; L116-V140 HydrophobicContact CG-CG1 4.09Å; L116-F143 HydrophobicContact CD1-CB 3.64Å; L116-R144 HydrophobicContact CD1-CG 3.86Å; L116-R144 HydrophobicContact CD2-CG 3.78Å |
| 117 | D | 90.9 | Very high | 89.5 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 178.4 | -75.8 | -9.9 | 0 | 0 | 0 | 111.7 | F95 R98 Y113 S114 I115 L119 T120 I121 P122 R144 | F95-D117 HydrophobicContact CD2-CB 4.16Å; R98-D117 IonicContact CZ-OD2 2.85Å; R98-D117 IonicContact NH2-OD2 3.26Å; R98-D117 PolarHBondContact NH2-OD2 3.26Å; Y113-D117 PolarHBondContact O-N 3.09Å; S114-D117 WeakPolarHBondContact O-CB 3.36Å; S114-D117 PolarHBondContact O-N 3.45Å; S114-D117 VanDerWaalsContact O-N 3.09Å; I115-D117 VanDerWaalsContact C-N 3.3Å; I115-D117 PolarHBondContact O-N 3.03Å; D117-L119 VanDerWaalsContact C-N 3.33Å; D117-L119 PolarHBondContact O-N 3.25Å; D117-T120 PolarHBondContact O-N 3.46Å; D117-I121 HydrophobicContact CB-CD1 3.69Å; D117-I121 HydrophobicContact CB-CG1 4.39Å; D117-I121 WeakPolarHBondContact O-CB 3.14Å; D117-I121 WeakPolarHBondContact O-CG1 3.13Å; D117-I121 PolarHBondContact O-N 3.02Å; D117-P122 WeakPolarHBondContact O-CD 3.15Å; D117-R144 IonicContact OD1-CZ 2.64Å; D117-R144 IonicContact OD1-NE 3.97Å; D117-R144 IonicContact OD1-NH2 3.51Å; D117-R144 PolarHBondContact OD1-NH2 3.08Å |
| 118 | Y | 90.5 | Very high | 89.3 | Confident | 69 Ų | 69 | 55.1 Ų | 55.1 | 27% | 0.271 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.4 | -36 | 174.5 | -52.8 | -30.5 | 0 | 0 | 0 | 113.3 | F95 W109 S114 I115 T120 P122 | F95-Y118 HydrophobicContact CE2-CD1 4.5Å; F95-Y118 AromaticContact CE2-CE1 3.54Å; F95-Y118 HydrophobicContact CE2-CE1 3.54Å; F95-Y118 AromaticContact CZ-CE1 3.63Å; F95-Y118 HydrophobicContact CZ-CE1 3.63Å; W109-Y118 WeakPolarHBondContact CA-OH 3.22Å; W109-Y118 HydrophobicContact CE3-CE1 4.02Å; W109-Y118 HydrophobicContact CE3-CE2 4.18Å; W109-Y118 AromaticContact CE3-CZ 3.47Å; W109-Y118 VanDerWaalsContact CE3-CZ 3.47Å; W109-Y118 AromaticContact CZ3-CE1 3.77Å; W109-Y118 HydrophobicContact CZ3-CE1 3.77Å; W109-Y118 AromaticContact CZ3-CZ 3.73Å; W109-Y118 WeakPolarHBondContact O-CE2 3.06Å; W109-Y118 PolarHBondContact O-OH 2.68Å; S114-Y118 WeakPolarHBondContact CB-OH 3.47Å; S114-Y118 WeakPolarHBondContact O-CD1 3.5Å; S114-Y118 WeakPolarHBondContact O-CD2 3.32Å; S114-Y118 VanDerWaalsContact O-CG 3.23Å; S114-Y118 PolarHBondContact O-N 3.04Å; I115-Y118 HydrophobicContact CG1-CD2 4.49Å; I115-Y118 HydrophobicContact CG1-CE2 4.46Å; I115-Y118 PolarHBondContact O-N 3.35Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; Y118-P122 WeakPolarHBondContact O-CD 3.39Å; Y118-P122 WeakPolarHBondContact O-CG 3.44Å |
| 119 | L | 90.8 | Very high | 89.2 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 35% | 0.346 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -77.3 | -20.2 | -179.7 | -67.5 | 175.2 | 0 | 0 | 0 | 113 | I115 L116 D117 F137 V140 | I115-L119 HydrophobicContact CG2-CD1 4.32Å; I115-L119 WeakPolarHBondContact O-CG 3.37Å; I115-L119 PolarHBondContact O-N 2.75Å; I115-L119 VanDerWaalsContact O-N 3.13Å; L116-L119 PolarHBondContact O-N 3.17Å; D117-L119 VanDerWaalsContact C-N 3.33Å; D117-L119 PolarHBondContact O-N 3.25Å; L119-F137 HydrophobicContact CB-CB 4.41Å; L119-V140 HydrophobicContact CD1-CG1 4.44Å |
| 120 | T | 90.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -114.9 | -36.9 | -168.6 | 59 | 0 | 0 | 0 | 0 | 114.2 | L116 D117 Y118 T124 R141 R144 | L116-T120 HydrophobicContact CD2-CG2 4.36Å; L116-T120 WeakPolarHBondContact O-CG2 3.38Å; L116-T120 PolarHBondContact O-N 2.95Å; L116-T120 PolarHBondContact O-OG1 2.96Å; D117-T120 PolarHBondContact O-N 3.46Å; Y118-T120 VanDerWaalsContact C-N 3.33Å; T120-T124 WeakPolarHBondContact O-CG2 3.43Å; T120-T124 PolarHBondContact O-OG1 2.88Å; T120-R141 HydrophobicContact CG2-CG 3.58Å; T120-R144 PolarHBondContact OG1-NH2 3.17Å |
| 121 | I | 91.8 | Very high | 88.9 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -80.8 | -55.3 | -173.8 | -56.6 | 172.7 | 0 | 0 | 0 | 111.7 | F91 L92 D117 T124 L125 | F91-I121 HydrophobicContact CB-CD1 3.74Å; F91-I121 HydrophobicContact CB-CG1 4.14Å; L92-I121 HydrophobicContact CB-CG2 4.15Å; L92-I121 HydrophobicContact CD1-CG2 4.28Å; D117-I121 HydrophobicContact CB-CD1 3.69Å; D117-I121 HydrophobicContact CB-CG1 4.39Å; D117-I121 WeakPolarHBondContact O-CB 3.14Å; D117-I121 WeakPolarHBondContact O-CG1 3.13Å; D117-I121 PolarHBondContact O-N 3.02Å; I121-T124 PolarHBondContact O-N 2.8Å; I121-T124 PolarHBondContact O-OG1 2.86Å; I121-L125 HydrophobicContact CG2-CD1 3.69Å; I121-L125 HydrophobicContact CG2-CG 4.12Å; I121-L125 WeakPolarHBondContact O-CG 3.28Å; I121-L125 PolarHBondContact O-N 2.96Å |
| 122 | P | 91.4 | Very high | 88.7 | Confident | 71 Ų | 71 | 62.9 Ų | 62.9 | 46% | 0.461 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.6 | -45.2 | -177.5 | -19.6 | 30 | 0 | 0 | 0 | 114.5 | D117 Y118 T124 L125 F126 | D117-P122 WeakPolarHBondContact O-CD 3.15Å; Y118-P122 WeakPolarHBondContact O-CD 3.39Å; Y118-P122 WeakPolarHBondContact O-CG 3.44Å; P122-T124 VanDerWaalsContact C-N 3.26Å; P122-T124 PolarHBondContact O-N 2.85Å; P122-L125 PolarHBondContact O-N 2.87Å; P122-F126 VanDerWaalsContact O-CB 3.26Å; P122-F126 WeakPolarHBondContact O-CB 3.36Å; P122-F126 PolarHBondContact O-N 3Å |
| 123 | P | 88.8 | Confident | 88.5 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 34% | 0.338 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.6 | -31.3 | 179.1 | -25.2 | 36 | 0 | 0 | 0 | 113.7 | G127 | P123-G127 PolarHBondContact O-N 2.82Å |
| 124 | T | 87.7 | Confident | 88.4 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 12% | 0.123 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -80.9 | -36.6 | 179.7 | 54 | 0 | 0 | 0 | 0 | 113 | N88 T120 I121 P122 F128 R138 | N88-T124 PolarHBondContact ND2-OG1 2.85Å; N88-T124 PolarHBondContact OD1-OG1 3.05Å; T120-T124 WeakPolarHBondContact O-CG2 3.43Å; T120-T124 PolarHBondContact O-OG1 2.88Å; I121-T124 PolarHBondContact O-N 2.8Å; I121-T124 PolarHBondContact O-OG1 2.86Å; P122-T124 VanDerWaalsContact C-N 3.26Å; P122-T124 PolarHBondContact O-N 2.85Å; T124-F128 WeakPolarHBondContact O-CB 3.49Å; T124-F128 PolarHBondContact O-N 2.96Å; T124-R138 HydrophobicContact CG2-CG 4.48Å |
| 125 | L | 89.1 | Confident | 88.2 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 170.4 | -65.5 | 177.7 | 0 | 0 | 0 | 110.6 | F85 L92 I121 P122 G127 F128 F129 | F85-L125 HydrophobicContact CD2-CD2 4.07Å; F85-L125 HydrophobicContact CE2-CD2 3.7Å; L92-L125 HydrophobicContact CD2-CD1 4.2Å; I121-L125 HydrophobicContact CG2-CD1 3.69Å; I121-L125 HydrophobicContact CG2-CG 4.12Å; I121-L125 WeakPolarHBondContact O-CG 3.28Å; I121-L125 PolarHBondContact O-N 2.96Å; P122-L125 PolarHBondContact O-N 2.87Å; L125-G127 PolarHBondContact O-N 2.98Å; L125-F128 WeakPolarHBondContact O-CB 3.49Å; L125-F128 PolarHBondContact O-N 2.91Å; L125-F129 WeakPolarHBondContact O-CD2 3.15Å; L125-F129 PolarHBondContact O-N 3.37Å |
| 126 | F | 89.2 | Confident | 87.9 | Confident | 135 Ų | 135 | 57.1 Ų | 57.1 | 59% | 0.592 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 178 | -172.8 | -114.8 | 0 | 0 | 0 | 112.4 | P122 F128 F129 I130 | P122-F126 VanDerWaalsContact O-CB 3.26Å; P122-F126 WeakPolarHBondContact O-CB 3.36Å; P122-F126 PolarHBondContact O-N 3Å; F126-F128 VanDerWaalsContact C-N 3.28Å; F126-F128 PolarHBondContact O-N 3.34Å; F126-F129 PolarHBondContact O-N 2.91Å; F126-F129 VanDerWaalsContact O-N 3.17Å; F126-I130 HydrophobicContact CD1-CD1 3.75Å; F126-I130 HydrophobicContact CD2-CD1 4.06Å; F126-I130 HydrophobicContact CE1-CD1 3.21Å; F126-I130 HydrophobicContact CE1-CG1 4.49Å; F126-I130 HydrophobicContact CE2-CD1 3.55Å; F126-I130 HydrophobicContact CE2-CG1 4.4Å; F126-I130 HydrophobicContact CG-CD1 4.17Å; F126-I130 HydrophobicContact CZ-CD1 3.11Å; F126-I130 HydrophobicContact CZ-CG1 4.35Å; F126-I130 PolarHBondContact O-N 2.83Å |
| 127 | G | 85.4 | Confident | 87.9 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62 | -34.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P123 L125 K131 R132 | P123-G127 PolarHBondContact O-N 2.82Å; L125-G127 PolarHBondContact O-N 2.98Å; G127-K131 WeakPolarHBondContact O-CA 3.32Å; G127-K131 PolarHBondContact O-N 3.15Å; G127-R132 CarbonylContact C-O 3.5Å; G127-R132 WeakPolarHBondContact CA-O 3.14Å; G127-R132 PolarHBondContact O-N 3.37Å |
| 128 | F | 85.9 | Confident | 87.9 | Confident | 73 Ų | 73 | 61 Ų | 61 | 32% | 0.32 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 172.9 | -171.7 | -93.6 | 0 | 0 | 0 | 111.7 | R81 F85 T124 L125 F126 I130 K131 | R81-F128 HydrophobicContact CG-CD2 4.43Å; F85-F128 HydrophobicContact CB-CD2 3.77Å; F85-F128 HydrophobicContact CB-CE2 4.09Å; F85-F128 HydrophobicContact CB-CG 4.35Å; F85-F128 HydrophobicContact CD1-CD1 4.47Å; F85-F128 HydrophobicContact CD1-CD2 4.24Å; F85-F128 HydrophobicContact CD1-CE1 4.3Å; F85-F128 HydrophobicContact CD1-CE2 4.05Å; F85-F128 HydrophobicContact CD1-CG 4.44Å; F85-F128 HydrophobicContact CD1-CZ 4.08Å; F85-F128 HydrophobicContact CD2-CB 3.58Å; F85-F128 AromaticContact CD2-CD1 3.82Å; F85-F128 HydrophobicContact CD2-CD1 3.82Å; F85-F128 AromaticContact CD2-CD2 3.75Å; F85-F128 HydrophobicContact CD2-CD2 3.75Å; F85-F128 HydrophobicContact CD2-CE1 4.43Å; F85-F128 HydrophobicContact CD2-CE2 4.37Å; F85-F128 AromaticContact CD2-CG 3.43Å; F85-F128 HydrophobicContact CD2-CG 3.43Å; F85-F128 VanDerWaalsContact CD2-CG 3.43Å; F85-F128 HydrophobicContact CE1-CD1 4.27Å; F85-F128 HydrophobicContact CE1-CE1 4.03Å; F85-F128 HydrophobicContact CE1-CZ 4.2Å; F85-F128 HydrophobicContact CE2-CB 3.91Å; F85-F128 AromaticContact CE2-CD1 3.59Å; F85-F128 HydrophobicContact CE2-CD1 3.59Å; F85-F128 HydrophobicContact CE2-CD2 4.38Å; F85-F128 HydrophobicContact CE2-CE1 4.19Å; F85-F128 AromaticContact CE2-CG 3.7Å; F85-F128 HydrophobicContact CE2-CG 3.7Å; F85-F128 HydrophobicContact CG-CB 4.36Å; F85-F128 HydrophobicContact CG-CD1 4.25Å; F85-F128 AromaticContact CG-CD2 3.65Å; F85-F128 HydrophobicContact CG-CD2 3.65Å; F85-F128 HydrophobicContact CG-CE1 4.48Å; F85-F128 AromaticContact CG-CE2 3.92Å; F85-F128 HydrophobicContact CG-CE2 3.92Å; F85-F128 AromaticContact CG-CG 3.83Å; F85-F128 HydrophobicContact CG-CG 3.83Å; F85-F128 HydrophobicContact CG-CZ 4.32Å; F85-F128 AromaticContact CZ-CD1 3.84Å; F85-F128 HydrophobicContact CZ-CD1 3.84Å; F85-F128 AromaticContact CZ-CE1 3.98Å; F85-F128 HydrophobicContact CZ-CE1 3.98Å; F85-F128 HydrophobicContact CZ-CG 4.32Å; T124-F128 WeakPolarHBondContact O-CB 3.49Å; T124-F128 PolarHBondContact O-N 2.96Å; L125-F128 WeakPolarHBondContact O-CB 3.49Å; L125-F128 PolarHBondContact O-N 2.91Å; F126-F128 VanDerWaalsContact C-N 3.28Å; F126-F128 PolarHBondContact O-N 3.34Å; F128-I130 PolarHBondContact O-N 2.78Å; F128-K131 PolarHBondContact O-N 2.7Å |
| 129 | F | 86.6 | Confident | 88 | Confident | 158 Ų | 158 | 57.7 Ų | 57.7 | 69% | 0.693 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -62.7 | -41 | 177.5 | -74.7 | -66.9 | 0 | 0 | 0 | 113 | L125 F126 K131 | L125-F129 WeakPolarHBondContact O-CD2 3.15Å; L125-F129 PolarHBondContact O-N 3.37Å; F126-F129 PolarHBondContact O-N 2.91Å; F126-F129 VanDerWaalsContact O-N 3.17Å; F129-K131 PolarHBondContact O-N 3.01Å |
| 130 | I | 87.3 | Confident | 88.1 | Confident | 77 Ų | 77 | 54.9 Ų | 54.9 | 40% | 0.395 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -82.3 | -4.3 | 179.7 | -63.5 | 178.5 | 0 | 0 | 0 | 112.2 | F126 F128 R132 | F126-I130 HydrophobicContact CD1-CD1 3.75Å; F126-I130 HydrophobicContact CD2-CD1 4.06Å; F126-I130 HydrophobicContact CE1-CD1 3.21Å; F126-I130 HydrophobicContact CE1-CG1 4.49Å; F126-I130 HydrophobicContact CE2-CD1 3.55Å; F126-I130 HydrophobicContact CE2-CG1 4.4Å; F126-I130 HydrophobicContact CG-CD1 4.17Å; F126-I130 HydrophobicContact CZ-CD1 3.11Å; F126-I130 HydrophobicContact CZ-CG1 4.35Å; F126-I130 PolarHBondContact O-N 2.83Å; F128-I130 PolarHBondContact O-N 2.78Å; I130-R132 HydrophobicContact CG2-CB 4.1Å; I130-R132 HydrophobicContact CG2-CG 3.86Å; I130-R132 PolarHBondContact O-N 3.32Å |
| 131 | K | 85 | Confident | 88.2 | Confident | 145 Ų | 145 | 54.9 Ų | 54.9 | 63% | 0.63 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 28.9 | -173.4 | -55.7 | 176.8 | -179.9 | 172.7 | 0 | 113 | G74 G127 F128 F129 | G74-K131 PolarHBondContact N-O 3.05Å; G74-K131 VanDerWaalsContact N-O 3.13Å; G127-K131 WeakPolarHBondContact O-CA 3.32Å; G127-K131 PolarHBondContact O-N 3.15Å; F128-K131 PolarHBondContact O-N 2.7Å; F129-K131 PolarHBondContact O-N 3.01Å |
| 132 | R | 84.3 | Confident | 88.3 | Confident | 131 Ų | 131 | 55 Ų | 55 | 49% | 0.494 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.4 | 177.3 | -72 | -176.1 | -173.8 | -174.6 | 1.8 | 110.2 | K72 G127 I130 | K72-R132 WeakPolarHBondContact O-CA 3.33Å; G127-R132 CarbonylContact C-O 3.5Å; G127-R132 WeakPolarHBondContact CA-O 3.14Å; G127-R132 PolarHBondContact O-N 3.37Å; I130-R132 HydrophobicContact CG2-CB 4.1Å; I130-R132 HydrophobicContact CG2-CG 3.86Å; I130-R132 PolarHBondContact O-N 3.32Å |
| 133 | T | 83 | Confident | 88.4 | Confident | 22 Ų | 22 | 53.2 Ų | 53.2 | 14% | 0.135 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.8 | 174.9 | 55.3 | 0 | 0 | 0 | 0 | 109.6 | E71 K72 R81 | E71-T133 WeakPolarHBondContact CA-O 3.38Å; K72-T133 WeakPolarHBondContact CB-OG1 3.26Å; K72-T133 PolarHBondContact N-O 3.2Å; K72-T133 PolarHBondContact O-N 2.9Å; R81-T133 HydrophobicContact CB-CG2 4.46Å; R81-T133 HydrophobicContact CG-CG2 3.76Å |
| 134 | W | 86.5 | Confident | 88.5 | Confident | 108 Ų | 108 | 51.8 Ų | 51.8 | 41% | 0.409 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.6 | 171.6 | -177.7 | 49.9 | 0 | 0 | 0 | 109.5 | E71 G136 F137 | E71-W134 HydrophobicContact CG-CB 4.47Å; E71-W134 HydrophobicContact CG-CG 4.38Å; W134-G136 VanDerWaalsContact CE2-CA 3.46Å; W134-F137 HydrophobicContact CH2-CD2 4.23Å; W134-F137 HydrophobicContact CH2-CE2 4.2Å |
| 135 | I | 85 | Confident | 88.7 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 7% | 0.067 | 23% | 0.23 | C | C | . | . | trans | -68.8 | -44.1 | 178.7 | -67.2 | 176.1 | 0 | 0 | 0 | 110.4 | Y59 I70 R138 | Y59-I135 HydrophobicContact CD2-CG2 4.21Å; Y59-I135 HydrophobicContact CE2-CG2 3.7Å; I70-I135 PolarHBondContact O-N 3.33Å; I70-I135 VanDerWaalsContact O-N 3.09Å; I135-R138 VanDerWaalsContact O-CB 3.26Å; I135-R138 WeakPolarHBondContact O-CB 3.45Å; I135-R138 VanDerWaalsContact O-CG 3.24Å; I135-R138 WeakPolarHBondContact O-CG 3.32Å; I135-R138 PolarHBondContact O-N 3Å | ||
| 136 | G | 84.8 | Confident | 88.7 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | 39.6 | -136.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | W134 R138 F139 | W134-G136 VanDerWaalsContact CE2-CA 3.46Å; G136-R138 PolarHBondContact O-N 3.21Å; G136-F139 WeakPolarHBondContact O-CE1 3.43Å |
| 137 | F | 91.3 | Very high | 88.7 | Confident | 72 Ų | 72 | 46.9 Ų | 46.9 | 32% | 0.316 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -84.6 | 22.1 | 179.9 | -62.3 | -69.6 | 0 | 0 | 0 | 114.1 | L119 W134 F139 V140 F183 L186 | L119-F137 HydrophobicContact CB-CB 4.41Å; W134-F137 HydrophobicContact CH2-CD2 4.23Å; W134-F137 HydrophobicContact CH2-CE2 4.2Å; F137-F139 HydrophobicContact CD1-CE1 4.1Å; F137-F139 AromaticContact CD1-CZ 3.78Å; F137-F139 HydrophobicContact CD1-CZ 3.78Å; F137-F139 HydrophobicContact CE1-CZ 4.46Å; F137-F139 PolarHBondContact O-N 3.02Å; F137-V140 HydrophobicContact CB-CG2 4.14Å; F137-V140 WeakPolarHBondContact O-CB 3.38Å; F137-V140 WeakPolarHBondContact O-CG2 3.37Å; F137-V140 PolarHBondContact O-N 3.24Å; F137-V140 VanDerWaalsContact O-N 3.12Å; F137-F183 HydrophobicContact CE1-CE1 4.22Å; F137-L186 HydrophobicContact CD1-CD2 4.38Å; F137-L186 HydrophobicContact CE1-CD2 4.18Å |
| 138 | R | 91.5 | Very high | 89 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 6% | 0.06 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -65 | -20.6 | -178.5 | -69.3 | 175.1 | 70.8 | -159.2 | -0.2 | 113.3 | Y59 E62 D84 T124 I135 G136 V140 R141 | Y59-R138 HydrophobicContact CD2-CB 3.71Å; Y59-R138 HydrophobicContact CE2-CB 4.46Å; Y59-R138 HydrophobicContact CG-CB 4.2Å; E62-R138 IonicContact OE2-CZ 3.48Å; E62-R138 IonicContact OE2-NH1 2.88Å; E62-R138 PolarHBondContact OE2-NH1 3.26Å; E62-R138 IonicContact OE2-NH2 3.04Å; E62-R138 PolarHBondContact OE2-NH2 3.45Å; D84-R138 IonicContact OD1-NH2 3.26Å; D84-R138 IonicContact OD2-CZ 2.85Å; D84-R138 VanDerWaalsContact OD2-CZ 3.26Å; D84-R138 IonicContact OD2-NE 3.24Å; D84-R138 PolarHBondContact OD2-NE 3.33Å; D84-R138 IonicContact OD2-NH2 2.68Å; D84-R138 PolarHBondContact OD2-NH2 3.22Å; T124-R138 HydrophobicContact CG2-CG 4.48Å; I135-R138 VanDerWaalsContact O-CB 3.26Å; I135-R138 WeakPolarHBondContact O-CB 3.45Å; I135-R138 VanDerWaalsContact O-CG 3.24Å; I135-R138 WeakPolarHBondContact O-CG 3.32Å; I135-R138 PolarHBondContact O-N 3Å; G136-R138 PolarHBondContact O-N 3.21Å; R138-V140 PolarHBondContact O-N 3.01Å; R138-R141 VanDerWaalsContact NE-NH1 3.16Å; R138-R141 VanDerWaalsContact O-CB 3.31Å; R138-R141 WeakPolarHBondContact O-CB 3.37Å; R138-R141 VanDerWaalsContact O-CD 3.31Å; R138-R141 WeakPolarHBondContact O-CD 3.43Å; R138-R141 WeakPolarHBondContact O-CG 3.46Å; R138-R141 PolarHBondContact O-N 3.41Å |
| 139 | F | 92.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -63.5 | -26.8 | 173.8 | 58.4 | -97.2 | 0 | 0 | 0 | 113.5 | Y59 G136 F137 R141 I142 F183 L186 | Y59-F139 HydrophobicContact CD1-CB 4.32Å; Y59-F139 HydrophobicContact CE1-CB 3.56Å; Y59-F139 HydrophobicContact CE2-CB 4.15Å; Y59-F139 VanDerWaalsContact CZ-CB 3.49Å; G136-F139 WeakPolarHBondContact O-CE1 3.43Å; F137-F139 HydrophobicContact CD1-CE1 4.1Å; F137-F139 AromaticContact CD1-CZ 3.78Å; F137-F139 HydrophobicContact CD1-CZ 3.78Å; F137-F139 HydrophobicContact CE1-CZ 4.46Å; F137-F139 PolarHBondContact O-N 3.02Å; F139-R141 PolarHBondContact O-N 3.25Å; F139-I142 VanDerWaalsContact O-CG2 3.3Å; F139-I142 WeakPolarHBondContact O-CG2 3.26Å; F139-I142 PolarHBondContact O-N 2.64Å; F139-I142 VanDerWaalsContact O-N 3.08Å; F139-F183 HydrophobicContact CD2-CD2 4.33Å; F139-F183 HydrophobicContact CD2-CE2 4.48Å; F139-F183 HydrophobicContact CE1-CD1 4.45Å; F139-F183 AromaticContact CE2-CD1 3.96Å; F139-F183 HydrophobicContact CE2-CD1 3.96Å; F139-F183 AromaticContact CE2-CD2 3.41Å; F139-F183 HydrophobicContact CE2-CD2 3.41Å; F139-F183 VanDerWaalsContact CE2-CD2 3.41Å; F139-F183 AromaticContact CE2-CE1 3.93Å; F139-F183 HydrophobicContact CE2-CE1 3.93Å; F139-F183 AromaticContact CE2-CE2 3.4Å; F139-F183 HydrophobicContact CE2-CE2 3.4Å; F139-F183 AromaticContact CE2-CG 3.7Å; F139-F183 HydrophobicContact CE2-CG 3.7Å; F139-F183 AromaticContact CE2-CZ 3.65Å; F139-F183 HydrophobicContact CE2-CZ 3.65Å; F139-F183 HydrophobicContact CZ-CB 4.39Å; F139-F183 AromaticContact CZ-CD1 3.47Å; F139-F183 HydrophobicContact CZ-CD1 3.47Å; F139-F183 VanDerWaalsContact CZ-CD1 3.47Å; F139-F183 AromaticContact CZ-CD2 3.83Å; F139-F183 HydrophobicContact CZ-CD2 3.83Å; F139-F183 AromaticContact CZ-CE1 3.55Å; F139-F183 HydrophobicContact CZ-CE1 3.55Å; F139-F183 AromaticContact CZ-CE2 3.92Å; F139-F183 HydrophobicContact CZ-CE2 3.92Å; F139-F183 AromaticContact CZ-CG 3.61Å; F139-F183 HydrophobicContact CZ-CG 3.61Å; F139-F183 AromaticContact CZ-CZ 3.76Å; F139-F183 HydrophobicContact CZ-CZ 3.76Å; F139-L186 HydrophobicContact CE1-CB 4.28Å; F139-L186 HydrophobicContact CE1-CD2 3.92Å |
| 140 | V | 92.6 | Very high | 89.2 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 4% | 0.036 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -61.6 | -19.2 | -179.5 | -174.3 | 0 | 0 | 0 | 0 | 111.2 | L116 L119 F137 R138 I142 F143 | L116-V140 HydrophobicContact CG-CG1 4.09Å; L119-V140 HydrophobicContact CD1-CG1 4.44Å; F137-V140 HydrophobicContact CB-CG2 4.14Å; F137-V140 WeakPolarHBondContact O-CB 3.38Å; F137-V140 WeakPolarHBondContact O-CG2 3.37Å; F137-V140 PolarHBondContact O-N 3.24Å; F137-V140 VanDerWaalsContact O-N 3.12Å; R138-V140 PolarHBondContact O-N 3.01Å; V140-I142 PolarHBondContact O-N 3.31Å; V140-F143 HydrophobicContact CG1-CD2 3.88Å; V140-F143 HydrophobicContact CG1-CE2 4.47Å; V140-F143 PolarHBondContact O-N 2.92Å |
| 141 | R | 92.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -53.7 | -26.1 | 172.6 | -66.5 | 173.9 | 178.9 | 177.6 | -6.2 | 113.5 | S55 F56 D84 N88 T120 R138 F139 F143 R144 | S55-R141 WeakPolarHBondContact OG-CD 3.4Å; S55-R141 VanDerWaalsContact OG-CZ 3.3Å; S55-R141 PolarHBondContact OG-NH1 3.36Å; F56-R141 HydrophobicContact CD2-CB 4.48Å; D84-R141 VanDerWaalsContact CG-NH1 3.32Å; D84-R141 IonicContact OD1-CZ 2.7Å; D84-R141 IonicContact OD1-NH1 3.39Å; D84-R141 PolarHBondContact OD1-NH1 3.44Å; D84-R141 IonicContact OD1-NH2 2.95Å; D84-R141 PolarHBondContact OD1-NH2 3.11Å; D84-R141 IonicContact OD2-CZ 3.88Å; D84-R141 IonicContact OD2-NH1 3.76Å; D84-R141 PolarHBondContact OD2-NH1 3.23Å; D84-R141 IonicContact OD2-NH2 3.54Å; D84-R141 PolarHBondContact OD2-NH2 2.67Å; N88-R141 PolarHBondContact ND2-NH2 2.85Å; N88-R141 PolarHBondContact OD1-NH2 3.17Å; T120-R141 HydrophobicContact CG2-CG 3.58Å; R138-R141 VanDerWaalsContact NE-NH1 3.16Å; R138-R141 VanDerWaalsContact O-CB 3.31Å; R138-R141 WeakPolarHBondContact O-CB 3.37Å; R138-R141 VanDerWaalsContact O-CD 3.31Å; R138-R141 WeakPolarHBondContact O-CD 3.43Å; R138-R141 WeakPolarHBondContact O-CG 3.46Å; R138-R141 PolarHBondContact O-N 3.41Å; F139-R141 PolarHBondContact O-N 3.25Å; R141-F143 PolarHBondContact O-N 3.26Å; R141-R144 WeakPolarHBondContact O-CB 3.47Å; R141-R144 PolarHBondContact O-N 2.7Å; R141-R144 VanDerWaalsContact O-N 3.15Å |
| 142 | I | 93.8 | Very high | 89.4 | Confident | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.036 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -61.2 | -29.8 | 177.5 | -166 | 61.7 | 0 | 0 | 0 | 112.6 | F56 F139 V140 R144 L145 F178 A179 | F56-I142 HydrophobicContact CD1-CD1 3.81Å; F56-I142 HydrophobicContact CD2-CB 3.77Å; F56-I142 HydrophobicContact CD2-CD1 4.19Å; F56-I142 HydrophobicContact CD2-CG1 4.49Å; F56-I142 HydrophobicContact CE1-CD1 3.9Å; F56-I142 HydrophobicContact CE2-CB 3.71Å; F56-I142 HydrophobicContact CE2-CD1 4.27Å; F56-I142 HydrophobicContact CE2-CG1 4.33Å; F56-I142 HydrophobicContact CG-CB 4.4Å; F56-I142 HydrophobicContact CG-CD1 3.99Å; F56-I142 HydrophobicContact CZ-CB 4.29Å; F56-I142 HydrophobicContact CZ-CD1 4.15Å; F56-I142 HydrophobicContact CZ-CG1 4.44Å; F139-I142 VanDerWaalsContact O-CG2 3.3Å; F139-I142 WeakPolarHBondContact O-CG2 3.26Å; F139-I142 PolarHBondContact O-N 2.64Å; F139-I142 VanDerWaalsContact O-N 3.08Å; V140-I142 PolarHBondContact O-N 3.31Å; I142-R144 PolarHBondContact O-N 3.27Å; I142-R144 VanDerWaalsContact O-N 3.08Å; I142-L145 HydrophobicContact CD1-CB 4.42Å; I142-L145 HydrophobicContact CD1-CD2 4.16Å; I142-L145 WeakPolarHBondContact O-CA 3.29Å; I142-L145 WeakPolarHBondContact O-CB 3.46Å; I142-L145 PolarHBondContact O-N 2.89Å; I142-F178 HydrophobicContact CB-CB 4.48Å; I142-F178 HydrophobicContact CD1-CB 4.5Å; I142-F178 HydrophobicContact CG1-CB 3.88Å; I142-F178 HydrophobicContact CG2-CB 4.41Å; I142-A179 HydrophobicContact CG2-CB 3.85Å |
| 143 | F | 93.1 | Very high | 89.6 | Confident | 34 Ų | 34 | 30 Ų | 30 | 15% | 0.149 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -65.5 | -13.3 | 178.9 | -74 | -68.7 | 0 | 0 | 0 | 113.5 | W112 L116 V140 R141 L145 C146 A179 | W112-F143 HydrophobicContact CZ2-CD2 4.28Å; W112-F143 HydrophobicContact CZ2-CE2 4.42Å; W112-F143 HydrophobicContact CZ2-CG 4.45Å; L116-F143 HydrophobicContact CD1-CB 3.64Å; V140-F143 HydrophobicContact CG1-CD2 3.88Å; V140-F143 HydrophobicContact CG1-CE2 4.47Å; V140-F143 PolarHBondContact O-N 2.92Å; R141-F143 PolarHBondContact O-N 3.26Å; F143-L145 PolarHBondContact O-N 2.76Å; F143-C146 WeakPolarHBondContact O-CB 3.39Å; F143-C146 PolarHBondContact O-N 3.21Å; F143-A179 HydrophobicContact CD2-CB 4.38Å; F143-A179 HydrophobicContact CE2-CB 3.53Å; F143-A179 HydrophobicContact CZ-CB 3.65Å |
| 144 | R | 91.5 | Very high | 89.7 | Confident | 22 Ų | 22 | 31.2 Ų | 31.2 | 8% | 0.083 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -63.7 | -22 | 167.1 | -65.2 | -178.5 | 176 | 154.4 | 0.5 | 112 | F91 L116 D117 T120 R141 I142 C146 N147 | F91-R144 VanDerWaalsContact CG-NH1 3.35Å; L116-R144 HydrophobicContact CD1-CG 3.86Å; L116-R144 HydrophobicContact CD2-CG 3.78Å; D117-R144 IonicContact OD1-CZ 2.64Å; D117-R144 IonicContact OD1-NE 3.97Å; D117-R144 IonicContact OD1-NH2 3.51Å; D117-R144 PolarHBondContact OD1-NH2 3.08Å; T120-R144 PolarHBondContact OG1-NH2 3.17Å; R141-R144 WeakPolarHBondContact O-CB 3.47Å; R141-R144 PolarHBondContact O-N 2.7Å; R141-R144 VanDerWaalsContact O-N 3.15Å; I142-R144 PolarHBondContact O-N 3.27Å; I142-R144 VanDerWaalsContact O-N 3.08Å; R144-C146 PolarHBondContact O-N 3.27Å; R144-N147 PolarHBondContact O-N 2.81Å |
| 145 | L | 90.8 | Very high | 89.6 | Confident | 19 Ų | 19 | 29 Ų | 29 | 10% | 0.099 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -62 | -28.1 | 174.4 | -170.2 | 60.5 | 0 | 0 | 0 | 112.8 | M49 L53 I142 F143 N147 L148 T171 I174 | M49-L145 HydrophobicContact CE-CB 4.49Å; M49-L145 HydrophobicContact CE-CD1 3.65Å; L53-L145 HydrophobicContact CD2-CD1 3.98Å; I142-L145 HydrophobicContact CD1-CB 4.42Å; I142-L145 HydrophobicContact CD1-CD2 4.16Å; I142-L145 WeakPolarHBondContact O-CA 3.29Å; I142-L145 WeakPolarHBondContact O-CB 3.46Å; I142-L145 PolarHBondContact O-N 2.89Å; F143-L145 PolarHBondContact O-N 2.76Å; L145-N147 PolarHBondContact O-N 3.09Å; L145-N147 VanDerWaalsContact O-N 3.16Å; L145-L148 HydrophobicContact CD1-CB 4.19Å; L145-L148 HydrophobicContact CD1-CD2 3.85Å; L145-L148 WeakPolarHBondContact O-CB 3.4Å; L145-L148 PolarHBondContact O-N 2.9Å; L145-T171 HydrophobicContact CG-CG2 4.19Å; L145-I174 HydrophobicContact CD2-CB 4.45Å; L145-I174 HydrophobicContact CD2-CG2 3.91Å |
| 146 | C | 90.9 | Very high | 89.6 | Confident | 36 Ų | 36 | 33.8 Ų | 33.8 | 24% | 0.243 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -63.1 | -18.6 | 178 | -64 | 0 | 0 | 0 | 0 | 113.5 | F143 R144 P149 S175 | F143-C146 WeakPolarHBondContact O-CB 3.39Å; F143-C146 PolarHBondContact O-N 3.21Å; R144-C146 PolarHBondContact O-N 3.27Å; C146-P149 WeakPolarHBondContact O-CD 3.43Å; C146-S175 PolarHBondContact SG-OG 3.14Å |
| 147 | N | 88.8 | Confident | 89.7 | Confident | 34 Ų | 34 | 39.1 Ų | 39.1 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -82.7 | -13.1 | 174.6 | -164.8 | 21.6 | 0 | 0 | 0 | 112.8 | R144 L145 E150 V151 | R144-N147 PolarHBondContact O-N 2.81Å; L145-N147 PolarHBondContact O-N 3.09Å; L145-N147 VanDerWaalsContact O-N 3.16Å; N147-E150 PolarHBondContact O-N 3.18Å; N147-E150 VanDerWaalsContact O-N 3.17Å; N147-E150 PolarHBondContact OD1-OE2 2.87Å; N147-V151 WeakPolarHBondContact O-CG2 3.09Å; N147-V151 PolarHBondContact O-N 3.02Å; N147-V151 VanDerWaalsContact O-N 3.08Å |
| 148 | L | 90.5 | Very high | 89.5 | Confident | 40 Ų | 40 | 36.8 Ų | 36.8 | 21% | 0.209 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -53.5 | -44.2 | -179.8 | -174.4 | 62.3 | 0 | 0 | 0 | 114 | M49 L145 E150 V151 L152 T171 | M49-L148 HydrophobicContact CE-CB 3.57Å; M49-L148 HydrophobicContact CE-CD1 4Å; M49-L148 HydrophobicContact CE-CG 4.26Å; M49-L148 HydrophobicContact CG-CD1 4.03Å; M49-L148 HydrophobicContact SD-CB 4.49Å; L145-L148 HydrophobicContact CD1-CB 4.19Å; L145-L148 HydrophobicContact CD1-CD2 3.85Å; L145-L148 WeakPolarHBondContact O-CB 3.4Å; L145-L148 PolarHBondContact O-N 2.9Å; L148-E150 VanDerWaalsContact C-N 3.28Å; L148-E150 PolarHBondContact O-N 2.87Å; L148-V151 PolarHBondContact O-N 2.75Å; L148-L152 HydrophobicContact CD1-CD1 4.01Å; L148-L152 HydrophobicContact CD1-CD2 4.27Å; L148-L152 HydrophobicContact CD1-CG 3.85Å; L148-L152 HydrophobicContact CD2-CD1 4.22Å; L148-L152 HydrophobicContact CG-CD1 3.73Å; L148-L152 HydrophobicContact CG-CG 4.01Å; L148-L152 WeakPolarHBondContact O-CB 3.26Å; L148-L152 VanDerWaalsContact O-CG 3.28Å; L148-L152 WeakPolarHBondContact O-CG 3.04Å; L148-L152 PolarHBondContact O-N 3.5Å; L148-T171 HydrophobicContact CB-CG2 4.24Å; L148-T171 HydrophobicContact CD2-CG2 4.17Å |
| 149 | P | 90.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -37.6 | -178.8 | -18.2 | 31.2 | 0 | 0 | 0 | 112.1 | C146 N153 L164 C167 Q168 T171 | C146-P149 WeakPolarHBondContact O-CD 3.43Å; P149-N153 VanDerWaalsContact O-CB 3.27Å; P149-N153 WeakPolarHBondContact O-CB 3.41Å; P149-N153 PolarHBondContact O-N 3.48Å; P149-L164 HydrophobicContact CB-CD1 3.82Å; P149-L164 WeakPolarHBondContact O-CD1 2.94Å; P149-C167 HydrophobicContact CB-CB 4.29Å; P149-C167 HydrophobicContact CG-CB 4.44Å; P149-Q168 HydrophobicContact CB-CG 3.56Å; P149-Q168 HydrophobicContact CG-CB 4.31Å; P149-Q168 HydrophobicContact CG-CG 3.75Å; P149-T171 HydrophobicContact CG-CG2 4.19Å; P149-T171 WeakPolarHBondContact CG-OG1 3.39Å |
| 150 | E | 87.5 | Confident | 88.7 | Confident | 99 Ų | 99 | 47 Ų | 47 | 46% | 0.463 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.4 | -45.2 | 176.8 | -170.3 | -179 | 153 | 0 | 0 | 111 | N147 L148 L152 N153 N154 | N147-E150 PolarHBondContact O-N 3.18Å; N147-E150 VanDerWaalsContact O-N 3.17Å; N147-E150 PolarHBondContact OD1-OE2 2.87Å; L148-E150 VanDerWaalsContact C-N 3.28Å; L148-E150 PolarHBondContact O-N 2.87Å; E150-L152 PolarHBondContact O-N 3.07Å; E150-N153 PolarHBondContact O-N 3.41Å; E150-N154 WeakPolarHBondContact O-CB 3.31Å; E150-N154 VanDerWaalsContact O-CG 3.26Å; E150-N154 PolarHBondContact O-N 3.45Å; E150-N154 PolarHBondContact O-ND2 3.17Å |
| 151 | V | 87.3 | Confident | 88.4 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 175.3 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | Y36 I45 N147 L148 N154 L155 | Y36-V151 HydrophobicContact CE1-CG2 4.46Å; Y36-V151 WeakPolarHBondContact OH-CG2 3.32Å; I45-V151 HydrophobicContact CG2-CG1 4.33Å; I45-V151 HydrophobicContact CG2-CG2 3.6Å; N147-V151 WeakPolarHBondContact O-CG2 3.09Å; N147-V151 PolarHBondContact O-N 3.02Å; N147-V151 VanDerWaalsContact O-N 3.08Å; L148-V151 PolarHBondContact O-N 2.75Å; V151-N154 PolarHBondContact O-N 2.88Å; V151-L155 HydrophobicContact CG1-CD1 3.83Å; V151-L155 HydrophobicContact CG1-CG 4.35Å; V151-L155 WeakPolarHBondContact O-CB 3.28Å; V151-L155 WeakPolarHBondContact O-CG 3.42Å; V151-L155 PolarHBondContact O-N 3.15Å |
| 152 | L | 89.1 | Confident | 87.9 | Confident | 37 Ų | 37 | 53 Ų | 53 | 19% | 0.194 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.2 | -34.5 | -179.2 | -69.3 | 178.4 | 0 | 0 | 0 | 113.1 | L148 E150 I157 I158 | L148-L152 HydrophobicContact CD1-CD1 4.01Å; L148-L152 HydrophobicContact CD1-CD2 4.27Å; L148-L152 HydrophobicContact CD1-CG 3.85Å; L148-L152 HydrophobicContact CD2-CD1 4.22Å; L148-L152 HydrophobicContact CG-CD1 3.73Å; L148-L152 HydrophobicContact CG-CG 4.01Å; L148-L152 WeakPolarHBondContact O-CB 3.26Å; L148-L152 VanDerWaalsContact O-CG 3.28Å; L148-L152 WeakPolarHBondContact O-CG 3.04Å; L148-L152 PolarHBondContact O-N 3.5Å; E150-L152 PolarHBondContact O-N 3.07Å; L152-I157 HydrophobicContact CD2-CB 4.43Å; L152-I157 HydrophobicContact CD2-CD1 3.72Å; L152-I157 HydrophobicContact CD2-CG2 4.49Å; L152-I157 PolarHBondContact O-N 2.85Å; L152-I158 HydrophobicContact CB-CD1 3.73Å; L152-I158 HydrophobicContact CB-CG1 4.04Å; L152-I158 HydrophobicContact CD1-CD1 3.79Å; L152-I158 HydrophobicContact CG-CD1 4.43Å; L152-I158 PolarHBondContact O-N 2.77Å |
| 153 | N | 88.8 | Confident | 87.6 | Confident | 58 Ų | 58 | 56.5 Ų | 56.5 | 31% | 0.31 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.5 | -48.7 | 173.5 | -174.4 | 63.6 | 0 | 0 | 0 | 110.6 | P149 E150 L155 N156 I158 L164 | P149-N153 VanDerWaalsContact O-CB 3.27Å; P149-N153 WeakPolarHBondContact O-CB 3.41Å; P149-N153 PolarHBondContact O-N 3.48Å; E150-N153 PolarHBondContact O-N 3.41Å; N153-L155 VanDerWaalsContact C-N 3.29Å; N153-L155 PolarHBondContact O-N 3.46Å; N153-N156 WeakPolarHBondContact O-CA 3.45Å; N153-N156 PolarHBondContact O-N 2.96Å; N153-I158 PolarHBondContact OD1-O 2.94Å; N153-L164 HydrophobicContact CB-CD1 3.98Å |
| 154 | N | 85 | Confident | 87.5 | Confident | 46 Ų | 46 | 56.5 Ų | 56.5 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -74.5 | -20 | -176.7 | -63.5 | -19.4 | 0 | 0 | 0 | 113.1 | Y36 E150 V151 N156 | Y36-N154 HydrophobicContact CD1-CB 3.33Å; Y36-N154 HydrophobicContact CD2-CB 3.95Å; Y36-N154 WeakPolarHBondContact CD2-ND2 3.45Å; Y36-N154 HydrophobicContact CE1-CB 3.66Å; Y36-N154 HydrophobicContact CE2-CB 4.26Å; Y36-N154 WeakPolarHBondContact CE2-ND2 3.41Å; Y36-N154 HydrophobicContact CG-CB 3.47Å; Y36-N154 VanDerWaalsContact CG-CB 3.47Å; Y36-N154 VanDerWaalsContact CZ-ND2 3.28Å; E150-N154 WeakPolarHBondContact O-CB 3.31Å; E150-N154 VanDerWaalsContact O-CG 3.26Å; E150-N154 PolarHBondContact O-N 3.45Å; E150-N154 PolarHBondContact O-ND2 3.17Å; V151-N154 PolarHBondContact O-N 2.88Å; N154-N156 PolarHBondContact O-N 3.45Å |
| 155 | L | 84 | Confident | 87.4 | Confident | 63 Ų | 63 | 60.6 Ų | 60.6 | 33% | 0.33 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 5 | 166.8 | -68.4 | 176.9 | 0 | 0 | 0 | 113.4 | R42 V151 N153 I157 | R42-L155 HydrophobicContact CB-CD2 4.46Å; V151-L155 HydrophobicContact CG1-CD1 3.83Å; V151-L155 HydrophobicContact CG1-CG 4.35Å; V151-L155 WeakPolarHBondContact O-CB 3.28Å; V151-L155 WeakPolarHBondContact O-CG 3.42Å; V151-L155 PolarHBondContact O-N 3.15Å; N153-L155 VanDerWaalsContact C-N 3.29Å; N153-L155 PolarHBondContact O-N 3.46Å; L155-I157 HydrophobicContact CB-CD1 4.03Å; L155-I157 HydrophobicContact CB-CG1 4.06Å; L155-I157 HydrophobicContact CD1-CD1 4.32Å; L155-I157 PolarHBondContact O-N 2.97Å |
| 156 | N | 83.6 | Confident | 87.3 | Confident | 113 Ų | 113 | 61.2 Ų | 61.2 | 60% | 0.604 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 22.1 | -177.6 | -71.9 | -31 | 0 | 0 | 0 | 114.7 | N153 N154 | N153-N156 WeakPolarHBondContact O-CA 3.45Å; N153-N156 PolarHBondContact O-N 2.96Å; N154-N156 PolarHBondContact O-N 3.45Å |
| 157 | I | 87 | Confident | 87.4 | Confident | 113 Ų | 113 | 60.6 Ų | 60.6 | 58% | 0.579 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -79 | -43.9 | 177.5 | -61.3 | 174.1 | 0 | 0 | 0 | 109.7 | L152 L155 | L152-I157 HydrophobicContact CD2-CB 4.43Å; L152-I157 HydrophobicContact CD2-CD1 3.72Å; L152-I157 HydrophobicContact CD2-CG2 4.49Å; L152-I157 PolarHBondContact O-N 2.85Å; L155-I157 HydrophobicContact CB-CD1 4.03Å; L155-I157 HydrophobicContact CB-CG1 4.06Å; L155-I157 HydrophobicContact CD1-CD1 4.32Å; L155-I157 PolarHBondContact O-N 2.97Å |
| 158 | I | 87.1 | Confident | 87.5 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 12% | 0.118 | 33% | 0.332 | C | S | . | . | trans | -102.9 | 114.9 | 175.9 | -59.9 | 176.1 | 0 | 0 | 0 | 108.3 | L152 N153 N163 L164 C167 | L152-I158 HydrophobicContact CB-CD1 3.73Å; L152-I158 HydrophobicContact CB-CG1 4.04Å; L152-I158 HydrophobicContact CD1-CD1 3.79Å; L152-I158 HydrophobicContact CG-CD1 4.43Å; L152-I158 PolarHBondContact O-N 2.77Å; N153-I158 PolarHBondContact OD1-O 2.94Å; I158-N163 HydrophobicContact CG2-CB 3.76Å; I158-L164 HydrophobicContact CG2-CB 4Å; I158-C167 HydrophobicContact CD1-CB 3.92Å | ||
| 159 | K | 83.4 | Confident | 87.6 | Confident | 180 Ų | 180 | 61.6 Ų | 61.6 | 78% | 0.783 | 33% | 0.325 | S | S | * | . | trans | -103 | -25.2 | 178.1 | -62.5 | -175.8 | 179.2 | -177.5 | 0 | 114 | ||||
| 160 | S | 84.1 | Confident | 87.6 | Confident | 50 Ų | 50 | 63.4 Ų | 63.4 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | trans | -89.8 | 133.2 | -175.9 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | S162 N163 L164 | S160-S162 PolarHBondContact O-N 2.97Å; S160-S162 PolarHBondContact OG-N 2.6Å; S160-S162 PolarHBondContact OG-OG 3.46Å; S160-N163 PolarHBondContact O-N 2.96Å; S160-N163 VanDerWaalsContact O-N 3.13Å; S160-L164 PolarHBondContact O-N 2.89Å | ||
| 161 | A | 85.9 | Confident | 87.9 | Confident | 78 Ų | 78 | 59.2 Ų | 59.2 | 65% | 0.645 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.1 | -35.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | L164 R165 | A161-L164 PolarHBondContact O-N 3.29Å; A161-R165 VanDerWaalsContact O-CB 3.32Å; A161-R165 WeakPolarHBondContact O-CB 3.36Å; A161-R165 PolarHBondContact O-N 2.92Å |
| 162 | S | 83.7 | Confident | 88 | Confident | 56 Ų | 56 | 62.9 Ų | 62.9 | 39% | 0.392 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 176.2 | 61.6 | 0 | 0 | 0 | 0 | 111.9 | S160 L164 R165 M166 | S160-S162 PolarHBondContact O-N 2.97Å; S160-S162 PolarHBondContact OG-N 2.6Å; S160-S162 PolarHBondContact OG-OG 3.46Å; S162-L164 VanDerWaalsContact C-N 3.34Å; S162-R165 PolarHBondContact O-N 2.98Å; S162-M166 VanDerWaalsContact O-CB 3.25Å; S162-M166 WeakPolarHBondContact O-CB 3.43Å; S162-M166 PolarHBondContact O-N 3.1Å |
| 163 | N | 86.4 | Confident | 88.2 | Confident | 80 Ų | 80 | 62.4 Ų | 62.4 | 43% | 0.428 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69.1 | -35.4 | 177.6 | -69 | -8.4 | 0 | 0 | 0 | 111.4 | I158 S160 M166 C167 | I158-N163 HydrophobicContact CG2-CB 3.76Å; S160-N163 PolarHBondContact O-N 2.96Å; S160-N163 VanDerWaalsContact O-N 3.13Å; N163-M166 HydrophobicContact CB-CE 4.4Å; N163-M166 VanDerWaalsContact OD1-CE 3.31Å; N163-M166 WeakPolarHBondContact OD1-CE 3.47Å; N163-C167 VanDerWaalsContact O-CB 3.31Å; N163-C167 WeakPolarHBondContact O-CB 3.22Å; N163-C167 PolarHBondContact O-N 3.37Å |
| 164 | L | 90.6 | Very high | 88.4 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 18% | 0.178 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.5 | -49.6 | 174.4 | -179.1 | 60.3 | 0 | 0 | 0 | 110.9 | P149 N153 I158 S160 A161 S162 M166 C167 Q168 | P149-L164 HydrophobicContact CB-CD1 3.82Å; P149-L164 WeakPolarHBondContact O-CD1 2.94Å; N153-L164 HydrophobicContact CB-CD1 3.98Å; I158-L164 HydrophobicContact CG2-CB 4Å; S160-L164 PolarHBondContact O-N 2.89Å; A161-L164 PolarHBondContact O-N 3.29Å; S162-L164 VanDerWaalsContact C-N 3.34Å; L164-M166 PolarHBondContact O-N 3.46Å; L164-C167 WeakPolarHBondContact O-CB 3.31Å; L164-C167 PolarHBondContact O-N 3.39Å; L164-Q168 WeakPolarHBondContact O-CG 3.23Å; L164-Q168 PolarHBondContact O-N 3.49Å |
| 165 | R | 90.3 | Very high | 88.8 | Confident | 107 Ų | 107 | 60.5 Ų | 60.5 | 40% | 0.404 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 176.7 | -179.2 | 63.1 | 177.8 | 178.4 | 3.8 | 111.9 | A161 S162 C167 Q168 L169 E254 M258 | A161-R165 VanDerWaalsContact O-CB 3.32Å; A161-R165 WeakPolarHBondContact O-CB 3.36Å; A161-R165 PolarHBondContact O-N 2.92Å; S162-R165 PolarHBondContact O-N 2.98Å; R165-C167 VanDerWaalsContact C-N 3.34Å; R165-C167 PolarHBondContact O-N 3.22Å; R165-Q168 WeakPolarHBondContact O-CB 3.37Å; R165-Q168 PolarHBondContact O-N 3.02Å; R165-L169 HydrophobicContact CG-CD1 4.23Å; R165-L169 WeakPolarHBondContact O-CG 3.43Å; R165-L169 PolarHBondContact O-N 3.19Å; R165-E254 IonicContact CZ-OE1 2.69Å; R165-E254 IonicContact NE-OE1 3.43Å; R165-E254 PolarHBondContact NE-OE1 3.17Å; R165-E254 IonicContact NE-OE2 2.65Å; R165-E254 IonicContact NH2-OE1 3.5Å; R165-E254 PolarHBondContact NH2-OE1 3.25Å; R165-E254 IonicContact NH2-OE2 3.64Å; R165-E254 PolarHBondContact NH2-OE2 3.48Å; R165-M258 HydrophobicContact CB-CE 4.18Å; R165-M258 HydrophobicContact CG-CE 3.55Å; R165-M258 HydrophobicContact CG-SD 4.29Å |
| 166 | M | 89.1 | Confident | 89.2 | Confident | 32 Ų | 32 | 59 Ų | 59 | 16% | 0.158 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.2 | -44 | 174.4 | 175 | 171.1 | 33.2 | 0 | 0 | 111.7 | S162 N163 L164 L169 C170 M258 F259 | S162-M166 VanDerWaalsContact O-CB 3.25Å; S162-M166 WeakPolarHBondContact O-CB 3.43Å; S162-M166 PolarHBondContact O-N 3.1Å; N163-M166 HydrophobicContact CB-CE 4.4Å; N163-M166 VanDerWaalsContact OD1-CE 3.31Å; N163-M166 WeakPolarHBondContact OD1-CE 3.47Å; L164-M166 PolarHBondContact O-N 3.46Å; M166-L169 PolarHBondContact O-N 2.98Å; M166-C170 WeakPolarHBondContact O-CB 2.99Å; M166-C170 PolarHBondContact O-N 3.25Å; M166-C170 PolarHBondContact O-SG 2.87Å; M166-M258 HydrophobicContact CB-SD 3.91Å; M166-F259 HydrophobicContact SD-CD2 4.09Å; M166-F259 HydrophobicContact SD-CE1 4.48Å; M166-F259 HydrophobicContact SD-CE2 3.73Å; M166-F259 HydrophobicContact SD-CZ 3.95Å |
| 167 | C | 91.5 | Very high | 89.6 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 176.3 | -171.5 | 0 | 0 | 0 | 0 | 111.7 | P149 I158 N163 L164 R165 C170 T171 | P149-C167 HydrophobicContact CB-CB 4.29Å; P149-C167 HydrophobicContact CG-CB 4.44Å; I158-C167 HydrophobicContact CD1-CB 3.92Å; N163-C167 VanDerWaalsContact O-CB 3.31Å; N163-C167 WeakPolarHBondContact O-CB 3.22Å; N163-C167 PolarHBondContact O-N 3.37Å; L164-C167 WeakPolarHBondContact O-CB 3.31Å; L164-C167 PolarHBondContact O-N 3.39Å; R165-C167 VanDerWaalsContact C-N 3.34Å; R165-C167 PolarHBondContact O-N 3.22Å; C167-C170 PolarHBondContact O-N 3.39Å; C167-T171 WeakPolarHBondContact O-CB 3.01Å; C167-T171 VanDerWaalsContact O-CG2 3.24Å; C167-T171 WeakPolarHBondContact O-CG2 3.36Å; C167-T171 PolarHBondContact O-N 3.4Å; C167-T171 PolarHBondContact O-OG1 2.9Å |
| 168 | Q | 92.5 | Very high | 90 | Very high | 83 Ų | 83 | 53.5 Ų | 53.5 | 39% | 0.388 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.1 | -48.8 | 174.3 | -71.9 | 172 | -14.2 | 0 | 0 | 112.1 | P149 L164 R165 T171 L172 | P149-Q168 HydrophobicContact CB-CG 3.56Å; P149-Q168 HydrophobicContact CG-CB 4.31Å; P149-Q168 HydrophobicContact CG-CG 3.75Å; L164-Q168 WeakPolarHBondContact O-CG 3.23Å; L164-Q168 PolarHBondContact O-N 3.49Å; R165-Q168 WeakPolarHBondContact O-CB 3.37Å; R165-Q168 PolarHBondContact O-N 3.02Å; Q168-T171 PolarHBondContact O-N 3.09Å; Q168-T171 PolarHBondContact O-OG1 2.62Å; Q168-L172 VanDerWaalsContact O-CB 3.23Å; Q168-L172 WeakPolarHBondContact O-CB 3.25Å; Q168-L172 PolarHBondContact O-N 3.13Å |
| 169 | L | 91.7 | Very high | 90.3 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 178.9 | -68.4 | 169.6 | 0 | 0 | 0 | 112.1 | R165 M166 F173 E254 I255 | R165-L169 HydrophobicContact CG-CD1 4.23Å; R165-L169 WeakPolarHBondContact O-CG 3.43Å; R165-L169 PolarHBondContact O-N 3.19Å; M166-L169 PolarHBondContact O-N 2.98Å; L169-F173 VanDerWaalsContact O-CB 3.25Å; L169-F173 WeakPolarHBondContact O-CB 3.46Å; L169-F173 PolarHBondContact O-N 3.04Å; L169-E254 HydrophobicContact CD1-CB 4.02Å; L169-E254 HydrophobicContact CD1-CG 3.67Å; L169-E254 WeakPolarHBondContact CD1-OE2 3.41Å; L169-I255 HydrophobicContact CB-CD1 4.09Å; L169-I255 HydrophobicContact CB-CG1 3.99Å; L169-I255 HydrophobicContact CD1-CG1 4.39Å |
| 170 | C | 91.7 | Very high | 90.8 | Very high | 39 Ų | 39 | 44 Ų | 44 | 26% | 0.264 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.2 | -47.3 | 177.9 | -69.3 | 0 | 0 | 0 | 0 | 111.7 | M166 C167 F173 I174 | M166-C170 WeakPolarHBondContact O-CB 2.99Å; M166-C170 PolarHBondContact O-N 3.25Å; M166-C170 PolarHBondContact O-SG 2.87Å; C167-C170 PolarHBondContact O-N 3.39Å; C170-F173 PolarHBondContact O-N 3.21Å; C170-I174 WeakPolarHBondContact O-CB 2.95Å; C170-I174 WeakPolarHBondContact O-CD1 3.33Å; C170-I174 WeakPolarHBondContact O-CG1 3.25Å; C170-I174 PolarHBondContact O-N 3.05Å |
| 171 | T | 92.6 | Very high | 91.3 | Very high | 10 Ų | 10 | 41.7 Ų | 41.7 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.8 | -39 | 179.6 | 53.2 | 0 | 0 | 0 | 0 | 111.9 | L145 L148 P149 C167 Q168 S175 | L145-T171 HydrophobicContact CG-CG2 4.19Å; L148-T171 HydrophobicContact CB-CG2 4.24Å; L148-T171 HydrophobicContact CD2-CG2 4.17Å; P149-T171 HydrophobicContact CG-CG2 4.19Å; P149-T171 WeakPolarHBondContact CG-OG1 3.39Å; C167-T171 WeakPolarHBondContact O-CB 3.01Å; C167-T171 VanDerWaalsContact O-CG2 3.24Å; C167-T171 WeakPolarHBondContact O-CG2 3.36Å; C167-T171 PolarHBondContact O-N 3.4Å; C167-T171 PolarHBondContact O-OG1 2.9Å; Q168-T171 PolarHBondContact O-N 3.09Å; Q168-T171 PolarHBondContact O-OG1 2.62Å; T171-S175 VanDerWaalsContact O-CB 3.29Å; T171-S175 WeakPolarHBondContact O-CB 3.44Å; T171-S175 PolarHBondContact O-N 2.92Å; T171-S175 PolarHBondContact O-OG 3.15Å |
| 172 | L | 91 | Very high | 91.6 | Very high | 82 Ų | 82 | 38 Ų | 38 | 43% | 0.429 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.7 | -49.4 | 173.4 | -179.1 | 65.5 | 0 | 0 | 0 | 111.5 | Q168 I174 S175 I176 | Q168-L172 VanDerWaalsContact O-CB 3.23Å; Q168-L172 WeakPolarHBondContact O-CB 3.25Å; Q168-L172 PolarHBondContact O-N 3.13Å; L172-I174 PolarHBondContact O-N 2.71Å; L172-S175 PolarHBondContact O-N 3.12Å; L172-I176 HydrophobicContact CD1-CD1 3.98Å; L172-I176 HydrophobicContact CD1-CG1 4.39Å; L172-I176 HydrophobicContact CG-CD1 4Å; L172-I176 WeakPolarHBondContact O-CG1 3.39Å; L172-I176 PolarHBondContact O-N 3.38Å |
| 173 | F | 92.4 | Very high | 92.1 | Very high | 28 Ų | 28 | 38 Ų | 38 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.3 | -47.6 | 179.3 | -178.9 | -95.5 | 0 | 0 | 0 | 111.8 | L169 C170 S175 I176 W177 I215 M218 F248 A251 I252 | L169-F173 VanDerWaalsContact O-CB 3.25Å; L169-F173 WeakPolarHBondContact O-CB 3.46Å; L169-F173 PolarHBondContact O-N 3.04Å; C170-F173 PolarHBondContact O-N 3.21Å; F173-S175 VanDerWaalsContact C-N 3.33Å; F173-S175 PolarHBondContact O-N 3.22Å; F173-I176 PolarHBondContact O-N 3.48Å; F173-W177 WeakPolarHBondContact O-CB 3.37Å; F173-W177 PolarHBondContact O-N 2.56Å; F173-I215 HydrophobicContact CE1-CD1 4.41Å; F173-I215 HydrophobicContact CZ-CD1 4.13Å; F173-M218 HydrophobicContact CD2-CE 4.22Å; F173-M218 HydrophobicContact CE2-CE 3.71Å; F173-M218 HydrophobicContact CZ-CE 4.25Å; F173-F248 AromaticContact CE2-CD2 3.84Å; F173-F248 HydrophobicContact CE2-CD2 3.84Å; F173-F248 HydrophobicContact CE2-CE2 4.46Å; F173-F248 HydrophobicContact CZ-CD2 4.09Å; F173-F248 HydrophobicContact CZ-CE2 4.31Å; F173-A251 HydrophobicContact CD2-CB 4.46Å; F173-I252 HydrophobicContact CD2-CD1 4.37Å; F173-I252 HydrophobicContact CE1-CD1 4.48Å; F173-I252 HydrophobicContact CE2-CD1 3.97Å; F173-I252 HydrophobicContact CE2-CG1 4.34Å; F173-I252 HydrophobicContact CZ-CD1 4.04Å |
| 174 | I | 92.7 | Very high | 92.4 | Very high | 63 Ų | 63 | 34.2 Ų | 34.2 | 32% | 0.323 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.7 | -42.6 | 176.7 | -68.5 | 166.5 | 0 | 0 | 0 | 110.6 | L145 C170 L172 W177 F178 | L145-I174 HydrophobicContact CD2-CB 4.45Å; L145-I174 HydrophobicContact CD2-CG2 3.91Å; C170-I174 WeakPolarHBondContact O-CB 2.95Å; C170-I174 WeakPolarHBondContact O-CD1 3.33Å; C170-I174 WeakPolarHBondContact O-CG1 3.25Å; C170-I174 PolarHBondContact O-N 3.05Å; L172-I174 PolarHBondContact O-N 2.71Å; I174-W177 PolarHBondContact O-N 2.85Å; I174-F178 HydrophobicContact CG2-CD2 3.85Å; I174-F178 HydrophobicContact CG2-CE2 3.89Å; I174-F178 WeakPolarHBondContact O-CB 3.3Å; I174-F178 VanDerWaalsContact O-CD2 3.23Å; I174-F178 WeakPolarHBondContact O-CD2 3.11Å; I174-F178 PolarHBondContact O-N 3.11Å |
| 175 | S | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -44.5 | -179.8 | -60.1 | 0 | 0 | 0 | 0 | 112 | C146 T171 L172 F173 A179 | C146-S175 PolarHBondContact SG-OG 3.14Å; T171-S175 VanDerWaalsContact O-CB 3.29Å; T171-S175 WeakPolarHBondContact O-CB 3.44Å; T171-S175 PolarHBondContact O-N 2.92Å; T171-S175 PolarHBondContact O-OG 3.15Å; L172-S175 PolarHBondContact O-N 3.12Å; F173-S175 VanDerWaalsContact C-N 3.33Å; F173-S175 PolarHBondContact O-N 3.22Å; S175-A179 WeakPolarHBondContact O-CB 3.37Å; S175-A179 PolarHBondContact O-N 2.92Å |
| 176 | I | 92.2 | Very high | 92.5 | Very high | 32 Ų | 32 | 28.3 Ų | 28.3 | 16% | 0.164 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 177.6 | -66.6 | 172.5 | 0 | 0 | 0 | 111 | L172 F173 G180 M218 F240 T247 | L172-I176 HydrophobicContact CD1-CD1 3.98Å; L172-I176 HydrophobicContact CD1-CG1 4.39Å; L172-I176 HydrophobicContact CG-CD1 4Å; L172-I176 WeakPolarHBondContact O-CG1 3.39Å; L172-I176 PolarHBondContact O-N 3.38Å; F173-I176 PolarHBondContact O-N 3.48Å; I176-G180 PolarHBondContact O-N 2.94Å; I176-M218 HydrophobicContact CG2-CE 4.3Å; I176-F240 HydrophobicContact CG2-CE2 4.16Å; I176-F240 HydrophobicContact CG2-CZ 4.48Å; I176-T247 HydrophobicContact CD1-CG2 3.81Å |
| 177 | W | 93.7 | Very high | 92.6 | Very high | 62 Ų | 62 | 28.9 Ų | 28.9 | 24% | 0.235 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.5 | -51.5 | 178.2 | 173.8 | 23.2 | 0 | 0 | 0 | 111.9 | F173 I174 G180 A181 L211 I215 M218 | F173-W177 WeakPolarHBondContact O-CB 3.37Å; F173-W177 PolarHBondContact O-N 2.56Å; I174-W177 PolarHBondContact O-N 2.85Å; W177-G180 PolarHBondContact O-N 2.86Å; W177-A181 PolarHBondContact O-N 2.83Å; W177-L211 PolarHBondContact NE1-O 3.35Å; W177-I215 HydrophobicContact CD2-CD1 4.22Å; W177-I215 HydrophobicContact CZ2-CB 3.88Å; W177-I215 HydrophobicContact CZ2-CD1 4.45Å; W177-I215 HydrophobicContact CZ2-CG1 4.21Å; W177-I215 HydrophobicContact CZ2-CG2 4.15Å; W177-M218 HydrophobicContact CB-SD 4Å; W177-M218 HydrophobicContact CG-SD 4.41Å |
| 178 | F | 94.8 | Very high | 92.5 | Very high | 48 Ų | 48 | 28.3 Ų | 28.3 | 21% | 0.211 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71 | -36.3 | -177 | -81.7 | -121 | 0 | 0 | 0 | 112.1 | F56 I142 I174 A181 G182 Y207 L211 | F56-F178 AromaticContact CE1-CD1 3.57Å; F56-F178 HydrophobicContact CE1-CD1 3.57Å; F56-F178 HydrophobicContact CE1-CE1 4.07Å; F56-F178 HydrophobicContact CZ-CB 4.22Å; F56-F178 AromaticContact CZ-CD1 3.58Å; F56-F178 HydrophobicContact CZ-CD1 3.58Å; F56-F178 HydrophobicContact CZ-CE1 4.46Å; F56-F178 HydrophobicContact CZ-CG 4.39Å; I142-F178 HydrophobicContact CB-CB 4.48Å; I142-F178 HydrophobicContact CD1-CB 4.5Å; I142-F178 HydrophobicContact CG1-CB 3.88Å; I142-F178 HydrophobicContact CG2-CB 4.41Å; I174-F178 HydrophobicContact CG2-CD2 3.85Å; I174-F178 HydrophobicContact CG2-CE2 3.89Å; I174-F178 WeakPolarHBondContact O-CB 3.3Å; I174-F178 VanDerWaalsContact O-CD2 3.23Å; I174-F178 WeakPolarHBondContact O-CD2 3.11Å; I174-F178 PolarHBondContact O-N 3.11Å; F178-A181 PolarHBondContact O-N 2.83Å; F178-G182 PolarHBondContact O-N 3.18Å; F178-Y207 WeakPolarHBondContact CA-OH 3.28Å; F178-Y207 PolarHBondContact O-OH 3.11Å; F178-L211 HydrophobicContact CD1-CD2 4.16Å; F178-L211 HydrophobicContact CD2-CD2 4Å; F178-L211 HydrophobicContact CE1-CD2 4.41Å; F178-L211 HydrophobicContact CE2-CD2 4.25Å; F178-L211 HydrophobicContact CG-CD2 3.97Å; F178-L211 HydrophobicContact CZ-CD2 4.46Å |
| 179 | A | 93.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 2% | 0.017 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.7 | -41.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I142 F143 S175 A181 G182 F183 | I142-A179 HydrophobicContact CG2-CB 3.85Å; F143-A179 HydrophobicContact CD2-CB 4.38Å; F143-A179 HydrophobicContact CE2-CB 3.53Å; F143-A179 HydrophobicContact CZ-CB 3.65Å; S175-A179 WeakPolarHBondContact O-CB 3.37Å; S175-A179 PolarHBondContact O-N 2.92Å; A179-A181 VanDerWaalsContact C-N 3.3Å; A179-A181 PolarHBondContact O-N 3.02Å; A179-G182 WeakPolarHBondContact O-CA 3.34Å; A179-G182 PolarHBondContact O-N 3.09Å; A179-F183 WeakPolarHBondContact O-CD2 3.49Å; A179-F183 PolarHBondContact O-N 3.18Å |
| 180 | G | 93.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.5 | -41.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I176 W177 G182 F183 F184 | I176-G180 PolarHBondContact O-N 2.94Å; W177-G180 PolarHBondContact O-N 2.86Å; G180-G182 VanDerWaalsContact C-N 3.3Å; G180-G182 PolarHBondContact O-N 2.87Å; G180-F183 PolarHBondContact O-N 3.08Å; G180-F184 WeakPolarHBondContact O-CB 3.41Å; G180-F184 PolarHBondContact O-N 3.08Å |
| 181 | A | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.8 | -34.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W177 F178 A179 N185 Y207 A210 L211 I214 | W177-A181 PolarHBondContact O-N 2.83Å; F178-A181 PolarHBondContact O-N 2.83Å; A179-A181 VanDerWaalsContact C-N 3.3Å; A179-A181 PolarHBondContact O-N 3.02Å; A181-N185 WeakPolarHBondContact O-CB 3.48Å; A181-N185 PolarHBondContact O-N 2.96Å; A181-Y207 HydrophobicContact CB-CE2 3.8Å; A181-A210 HydrophobicContact CB-CB 4.3Å; A181-L211 HydrophobicContact CB-CB 4.39Å; A181-L211 HydrophobicContact CB-CD2 3.6Å; A181-L211 HydrophobicContact CB-CG 3.86Å; A181-I214 HydrophobicContact CB-CG1 4.18Å |
| 182 | G | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.5 | -44.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y59 F178 A179 G180 N185 L186 | Y59-G182 WeakPolarHBondContact OH-CA 3.33Å; F178-G182 PolarHBondContact O-N 3.18Å; A179-G182 WeakPolarHBondContact O-CA 3.34Å; A179-G182 PolarHBondContact O-N 3.09Å; G180-G182 VanDerWaalsContact C-N 3.3Å; G180-G182 PolarHBondContact O-N 2.87Å; G182-N185 PolarHBondContact O-N 2.87Å; G182-L186 WeakPolarHBondContact O-CB 3.36Å; G182-L186 PolarHBondContact O-N 3.24Å |
| 183 | F | 92.9 | Very high | 91.1 | Very high | 58 Ų | 58 | 24.5 Ų | 24.5 | 25% | 0.254 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 173.2 | -86.1 | -69.1 | 0 | 0 | 0 | 112.1 | F137 F139 A179 G180 N185 L186 F187 F236 | F137-F183 HydrophobicContact CE1-CE1 4.22Å; F139-F183 HydrophobicContact CD2-CD2 4.33Å; F139-F183 HydrophobicContact CD2-CE2 4.48Å; F139-F183 HydrophobicContact CE1-CD1 4.45Å; F139-F183 AromaticContact CE2-CD1 3.96Å; F139-F183 HydrophobicContact CE2-CD1 3.96Å; F139-F183 AromaticContact CE2-CD2 3.41Å; F139-F183 HydrophobicContact CE2-CD2 3.41Å; F139-F183 VanDerWaalsContact CE2-CD2 3.41Å; F139-F183 AromaticContact CE2-CE1 3.93Å; F139-F183 HydrophobicContact CE2-CE1 3.93Å; F139-F183 AromaticContact CE2-CE2 3.4Å; F139-F183 HydrophobicContact CE2-CE2 3.4Å; F139-F183 AromaticContact CE2-CG 3.7Å; F139-F183 HydrophobicContact CE2-CG 3.7Å; F139-F183 AromaticContact CE2-CZ 3.65Å; F139-F183 HydrophobicContact CE2-CZ 3.65Å; F139-F183 HydrophobicContact CZ-CB 4.39Å; F139-F183 AromaticContact CZ-CD1 3.47Å; F139-F183 HydrophobicContact CZ-CD1 3.47Å; F139-F183 VanDerWaalsContact CZ-CD1 3.47Å; F139-F183 AromaticContact CZ-CD2 3.83Å; F139-F183 HydrophobicContact CZ-CD2 3.83Å; F139-F183 AromaticContact CZ-CE1 3.55Å; F139-F183 HydrophobicContact CZ-CE1 3.55Å; F139-F183 AromaticContact CZ-CE2 3.92Å; F139-F183 HydrophobicContact CZ-CE2 3.92Å; F139-F183 AromaticContact CZ-CG 3.61Å; F139-F183 HydrophobicContact CZ-CG 3.61Å; F139-F183 AromaticContact CZ-CZ 3.76Å; F139-F183 HydrophobicContact CZ-CZ 3.76Å; A179-F183 WeakPolarHBondContact O-CD2 3.49Å; A179-F183 PolarHBondContact O-N 3.18Å; G180-F183 PolarHBondContact O-N 3.08Å; F183-N185 PolarHBondContact O-N 3.18Å; F183-L186 PolarHBondContact O-N 3.43Å; F183-F187 HydrophobicContact CD1-CE2 4.04Å; F183-F187 HydrophobicContact CD1-CZ 4.01Å; F183-F187 WeakPolarHBondContact O-CD2 3.36Å; F183-F187 WeakPolarHBondContact O-CG 3.19Å; F183-F187 PolarHBondContact O-N 3.5Å; F183-F236 HydrophobicContact CB-CD1 4.17Å; F183-F236 HydrophobicContact CB-CD2 4.11Å; F183-F236 HydrophobicContact CB-CE1 3.61Å; F183-F236 HydrophobicContact CB-CE2 3.54Å; F183-F236 HydrophobicContact CB-CG 4.4Å; F183-F236 HydrophobicContact CB-CZ 3.28Å; F183-F236 HydrophobicContact CD1-CE2 4.32Å; F183-F236 AromaticContact CD2-CE2 3.92Å; F183-F236 HydrophobicContact CD2-CE2 3.92Å; F183-F236 HydrophobicContact CD2-CZ 4.04Å; F183-F236 HydrophobicContact CG-CD2 4.36Å; F183-F236 AromaticContact CG-CE2 3.7Å; F183-F236 HydrophobicContact CG-CE2 3.7Å; F183-F236 AromaticContact CG-CZ 3.87Å; F183-F236 HydrophobicContact CG-CZ 3.87Å |
| 184 | F | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.4 | -44.6 | 178.4 | 179.6 | -116.5 | 0 | 0 | 0 | 111.7 | G180 L186 F187 E188 L205 A210 Y213 I214 I226 P228 F236 I237 | G180-F184 WeakPolarHBondContact O-CB 3.41Å; G180-F184 PolarHBondContact O-N 3.08Å; F184-L186 PolarHBondContact O-N 3.36Å; F184-F187 PolarHBondContact O-N 3.44Å; F184-E188 HydrophobicContact CD2-CG 3.88Å; F184-E188 HydrophobicContact CE1-CG 4.44Å; F184-E188 HydrophobicContact CE2-CG 3.42Å; F184-E188 VanDerWaalsContact CE2-CG 3.42Å; F184-E188 HydrophobicContact CZ-CG 3.75Å; F184-E188 WeakPolarHBondContact O-CB 3.19Å; F184-E188 PolarHBondContact O-N 3.06Å; F184-L205 HydrophobicContact CE1-CD2 4.13Å; F184-L205 HydrophobicContact CZ-CD2 4.42Å; F184-A210 HydrophobicContact CD1-CB 3.74Å; F184-A210 HydrophobicContact CE1-CB 4.38Å; F184-Y213 AromaticContact CD1-CD1 3.71Å; F184-Y213 HydrophobicContact CD1-CD1 3.71Å; F184-Y213 HydrophobicContact CD1-CE1 4.4Å; F184-Y213 HydrophobicContact CD2-CD1 4.32Å; F184-Y213 HydrophobicContact CD2-CE1 4.22Å; F184-Y213 AromaticContact CE1-CD1 3.37Å; F184-Y213 HydrophobicContact CE1-CD1 3.37Å; F184-Y213 HydrophobicContact CE1-CE1 4.05Å; F184-Y213 AromaticContact CE1-CG 3.91Å; F184-Y213 HydrophobicContact CE1-CG 3.91Å; F184-Y213 HydrophobicContact CE2-CD1 4.04Å; F184-Y213 AromaticContact CE2-CE1 3.85Å; F184-Y213 HydrophobicContact CE2-CE1 3.85Å; F184-Y213 HydrophobicContact CG-CD1 4.18Å; F184-Y213 HydrophobicContact CG-CE1 4.49Å; F184-Y213 AromaticContact CZ-CD1 3.56Å; F184-Y213 HydrophobicContact CZ-CD1 3.56Å; F184-Y213 AromaticContact CZ-CE1 3.75Å; F184-Y213 HydrophobicContact CZ-CE1 3.75Å; F184-Y213 HydrophobicContact CZ-CG 4.2Å; F184-I214 HydrophobicContact CB-CD1 4.1Å; F184-I214 HydrophobicContact CB-CG1 4.41Å; F184-I214 HydrophobicContact CG-CD1 4.45Å; F184-I226 HydrophobicContact CE1-CG2 4.48Å; F184-I226 HydrophobicContact CZ-CG2 4.35Å; F184-P228 HydrophobicContact CE2-CB 4Å; F184-F236 HydrophobicContact CB-CE1 4.33Å; F184-I237 HydrophobicContact CB-CD1 4.45Å; F184-I237 HydrophobicContact CD2-CD1 3.88Å; F184-I237 HydrophobicContact CD2-CG1 3.94Å; F184-I237 HydrophobicContact CE2-CG1 4.27Å; F184-I237 HydrophobicContact CG-CD1 4.31Å |
| 185 | N | 92 | Very high | 89.4 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 175.2 | -178.4 | -106.6 | 0 | 0 | 0 | 112.4 | A181 G182 F183 N189 L205 Y207 A210 | A181-N185 WeakPolarHBondContact O-CB 3.48Å; A181-N185 PolarHBondContact O-N 2.96Å; G182-N185 PolarHBondContact O-N 2.87Å; F183-N185 PolarHBondContact O-N 3.18Å; N185-N189 PolarHBondContact ND2-ND2 3.42Å; N185-N189 VanDerWaalsContact ND2-ND2 3.11Å; N185-N189 VanDerWaalsContact O-CB 3.23Å; N185-N189 WeakPolarHBondContact O-CB 3.14Å; N185-N189 VanDerWaalsContact O-CG 3.28Å; N185-N189 PolarHBondContact O-N 3.37Å; N185-N189 VanDerWaalsContact O-N 3.13Å; N185-N189 PolarHBondContact O-ND2 3.16Å; N185-L205 PolarHBondContact ND2-O 3.36Å; N185-Y207 HydrophobicContact CB-CD2 4.15Å; N185-Y207 PolarHBondContact ND2-N 2.86Å; N185-A210 HydrophobicContact CB-CB 4.03Å |
| 186 | L | 90.8 | Very high | 88.4 | Confident | 13 Ų | 13 | 35.8 Ų | 35.8 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.8 | -48.9 | 178.5 | 179.1 | 65.1 | 0 | 0 | 0 | 111.5 | F137 F139 G182 F183 F184 T190 | F137-L186 HydrophobicContact CD1-CD2 4.38Å; F137-L186 HydrophobicContact CE1-CD2 4.18Å; F139-L186 HydrophobicContact CE1-CB 4.28Å; F139-L186 HydrophobicContact CE1-CD2 3.92Å; G182-L186 WeakPolarHBondContact O-CB 3.36Å; G182-L186 PolarHBondContact O-N 3.24Å; F183-L186 PolarHBondContact O-N 3.43Å; F184-L186 PolarHBondContact O-N 3.36Å; L186-T190 WeakPolarHBondContact O-CB 3.48Å; L186-T190 PolarHBondContact O-N 3.42Å; L186-T190 PolarHBondContact O-OG1 3.39Å |
| 187 | F | 91.4 | Very high | 87.3 | Confident | 45 Ų | 45 | 38.9 Ų | 38.9 | 20% | 0.197 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.7 | -42 | -176.1 | -66.6 | -30 | 0 | 0 | 0 | 113 | F183 F184 T190 G191 L232 F236 | F183-F187 HydrophobicContact CD1-CE2 4.04Å; F183-F187 HydrophobicContact CD1-CZ 4.01Å; F183-F187 WeakPolarHBondContact O-CD2 3.36Å; F183-F187 WeakPolarHBondContact O-CG 3.19Å; F183-F187 PolarHBondContact O-N 3.5Å; F184-F187 PolarHBondContact O-N 3.44Å; F187-T190 PolarHBondContact O-N 2.89Å; F187-G191 PolarHBondContact O-N 3.36Å; F187-L232 HydrophobicContact CB-CB 4.16Å; F187-L232 HydrophobicContact CD1-CB 4.3Å; F187-L232 HydrophobicContact CD1-CD1 4.26Å; F187-L232 HydrophobicContact CD2-CB 4.46Å; F187-L232 HydrophobicContact CG-CB 4.08Å; F187-F236 HydrophobicContact CD2-CB 3.66Å; F187-F236 HydrophobicContact CD2-CD1 4.45Å; F187-F236 HydrophobicContact CD2-CD2 4.5Å; F187-F236 AromaticContact CD2-CG 3.95Å; F187-F236 HydrophobicContact CD2-CG 3.95Å; F187-F236 HydrophobicContact CE2-CB 3.7Å; F187-F236 AromaticContact CE2-CD2 3.96Å; F187-F236 HydrophobicContact CE2-CD2 3.96Å; F187-F236 AromaticContact CE2-CG 3.85Å; F187-F236 HydrophobicContact CE2-CG 3.85Å |
| 188 | E | 89.7 | Confident | 86.4 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.7 | -40 | 177.6 | -71.7 | -63.6 | 125.8 | 0 | 0 | 112.1 | F184 T190 G191 L205 P228 Q229 T230 | F184-E188 HydrophobicContact CD2-CG 3.88Å; F184-E188 HydrophobicContact CE1-CG 4.44Å; F184-E188 HydrophobicContact CE2-CG 3.42Å; F184-E188 VanDerWaalsContact CE2-CG 3.42Å; F184-E188 HydrophobicContact CZ-CG 3.75Å; F184-E188 WeakPolarHBondContact O-CB 3.19Å; F184-E188 PolarHBondContact O-N 3.06Å; E188-T190 VanDerWaalsContact C-N 3.31Å; E188-T190 PolarHBondContact O-N 3.46Å; E188-G191 PolarHBondContact O-N 3.19Å; E188-L205 HydrophobicContact CB-CD1 3.88Å; E188-L205 HydrophobicContact CG-CD1 4.35Å; E188-P228 WeakPolarHBondContact OE1-CA 3.29Å; E188-Q229 PolarHBondContact OE1-N 3.47Å; E188-Q229 PolarHBondContact OE2-N 3.32Å; E188-T230 PolarHBondContact OE1-N 3.35Å; E188-T230 VanDerWaalsContact OE1-N 3.09Å; E188-T230 PolarHBondContact OE1-OG1 3.47Å |
| 189 | N | 89.5 | Confident | 85.7 | Confident | 12 Ų | 12 | 44.5 Ų | 44.5 | 6% | 0.064 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -76.5 | -16.2 | 179.3 | -68.6 | -23.1 | 0 | 0 | 0 | 113.5 | P67 I70 N185 V201 P204 L205 | P67-N189 PolarHBondContact O-ND2 3.49Å; I70-N189 HydrophobicContact CD1-CB 4.23Å; I70-N189 WeakPolarHBondContact CD1-O 3.41Å; I70-N189 HydrophobicContact CG1-CB 4.28Å; N185-N189 PolarHBondContact ND2-ND2 3.42Å; N185-N189 VanDerWaalsContact ND2-ND2 3.11Å; N185-N189 VanDerWaalsContact O-CB 3.23Å; N185-N189 WeakPolarHBondContact O-CB 3.14Å; N185-N189 VanDerWaalsContact O-CG 3.28Å; N185-N189 PolarHBondContact O-N 3.37Å; N185-N189 VanDerWaalsContact O-N 3.13Å; N185-N189 PolarHBondContact O-ND2 3.16Å; N189-V201 VanDerWaalsContact O-CG2 3.25Å; N189-V201 WeakPolarHBondContact O-CG2 3.2Å; N189-P204 WeakPolarHBondContact OD1-CA 3.38Å; N189-L205 PolarHBondContact ND2-O 2.97Å; N189-L205 PolarHBondContact OD1-N 3.36Å; N189-L205 PolarHBondContact OD1-O 2.95Å |
| 190 | T | 87.5 | Confident | 84.9 | Confident | 34 Ų | 34 | 49.3 Ų | 49.3 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -79.8 | -26 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | I70 L186 F187 E188 Y199 | I70-T190 VanDerWaalsContact CD1-CA 3.42Å; L186-T190 WeakPolarHBondContact O-CB 3.48Å; L186-T190 PolarHBondContact O-N 3.42Å; L186-T190 PolarHBondContact O-OG1 3.39Å; F187-T190 PolarHBondContact O-N 2.89Å; E188-T190 VanDerWaalsContact C-N 3.31Å; E188-T190 PolarHBondContact O-N 3.46Å; T190-Y199 HydrophobicContact CG2-CD1 4.24Å; T190-Y199 HydrophobicContact CG2-CE1 4.24Å; T190-Y199 WeakPolarHBondContact O-CD1 3.2Å |
| 191 | G | 84.5 | Confident | 84.1 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | trans | 77.1 | -173.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | F187 E188 | F187-G191 PolarHBondContact O-N 3.36Å; E188-G191 PolarHBondContact O-N 3.19Å | ||
| 192 | N | 85.8 | Confident | 82.9 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -79.2 | 128.1 | -178 | -71.5 | -36.1 | 0 | 0 | 0 | 111.2 | T198 Y199 T230 Y231 | N192-T198 WeakPolarHBondContact O-CA 3.44Å; N192-Y199 PolarHBondContact O-N 3.41Å; N192-T230 VanDerWaalsContact OD1-CA 3.25Å; N192-T230 WeakPolarHBondContact OD1-CA 3.14Å; N192-Y231 HydrophobicContact CB-CD2 4.2Å; N192-Y231 HydrophobicContact CB-CE2 4.43Å; N192-Y231 WeakPolarHBondContact OD1-CD2 3.46Å; N192-Y231 PolarHBondContact OD1-N 3.44Å |
| 193 | I | 82.6 | Confident | 82.4 | Confident | 65 Ų | 65 | 63.7 Ų | 63.7 | 33% | 0.333 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -75.5 | -31.4 | 175.3 | -55.5 | -180 | 0 | 0 | 0 | 110.9 | L232 | I193-L232 HydrophobicContact CD1-CD1 3.51Å; I193-L232 HydrophobicContact CG1-CD1 4.1Å |
| 194 | F | 76.4 | Confident | 81.9 | Confident | 157 Ų | 157 | 63.4 Ų | 63.4 | 69% | 0.689 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -118.7 | 138.7 | -176.2 | -54.6 | -76.3 | 0 | 0 | 0 | 110.3 | ||
| 195 | G | 73.4 | Confident | 81.7 | Confident | 51 Ų | 51 | 64.7 Ų | 64.7 | 53% | 0.526 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 117.6 | 174.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N197 T198 | G195-N197 PolarHBondContact O-N 3.32Å; G195-T198 VanDerWaalsContact O-CG2 3.24Å; G195-T198 WeakPolarHBondContact O-CG2 3.05Å |
| 196 | S | 70.4 | Confident | 81.7 | Confident | 120 Ų | 120 | 66 Ų | 66 | 84% | 0.839 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -64.9 | -17.5 | -178.6 | 49.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 197 | N | 70.2 | Confident | 81.8 | Confident | 97 Ų | 97 | 65.5 Ų | 65.5 | 52% | 0.519 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -106.6 | 55.1 | 179.3 | -72 | -11.3 | 0 | 0 | 0 | 110.9 | G195 Y199 N200 | G195-N197 PolarHBondContact O-N 3.32Å; N197-Y199 PolarHBondContact O-N 2.68Å; N197-N200 HydrophobicContact CB-CB 4.13Å; N197-N200 PolarHBondContact O-N 3.08Å |
| 198 | T | 74.9 | Confident | 81.9 | Confident | 84 Ų | 84 | 66.9 Ų | 66.9 | 52% | 0.515 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -61.1 | 124.7 | 179.4 | 47.9 | 0 | 0 | 0 | 0 | 110.9 | N192 G195 N200 | N192-T198 WeakPolarHBondContact O-CA 3.44Å; G195-T198 VanDerWaalsContact O-CG2 3.24Å; G195-T198 WeakPolarHBondContact O-CG2 3.05Å; T198-N200 PolarHBondContact O-N 3.19Å |
| 199 | Y | 78.9 | Confident | 82 | Confident | 145 Ų | 145 | 69.8 Ų | 69.8 | 57% | 0.569 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 15.3 | -179.6 | -54.5 | -76 | 0 | 0 | 0 | 115.9 | T190 N192 N197 | T190-Y199 HydrophobicContact CG2-CD1 4.24Å; T190-Y199 HydrophobicContact CG2-CE1 4.24Å; T190-Y199 WeakPolarHBondContact O-CD1 3.2Å; N192-Y199 PolarHBondContact O-N 3.41Å; N197-Y199 PolarHBondContact O-N 2.68Å |
| 200 | N | 77.5 | Confident | 82.2 | Confident | 102 Ų | 102 | 69.2 Ų | 69.2 | 55% | 0.545 | 39% | 0.39 | S | S | . | . | trans | -82.7 | 122.4 | 177.4 | -169.8 | 3.8 | 0 | 0 | 0 | 110 | N197 T198 | N197-N200 HydrophobicContact CB-CB 4.13Å; N197-N200 PolarHBondContact O-N 3.08Å; T198-N200 PolarHBondContact O-N 3.19Å | ||
| 201 | V | 77.8 | Confident | 82.5 | Confident | 47 Ų | 47 | 68.9 Ų | 68.9 | 29% | 0.285 | 39% | 0.387 | S | S | . | . | trans | -117.4 | 106.4 | -178.4 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | N189 P204 | N189-V201 VanDerWaalsContact O-CG2 3.25Å; N189-V201 WeakPolarHBondContact O-CG2 3.2Å; V201-P204 HydrophobicContact CG1-CB 4.35Å | ||
| 202 | S | 69.1 | Low | 83 | Confident | 108 Ų | 108 | 73.2 Ų | 73.2 | 76% | 0.755 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -72.8 | -35.2 | -179.1 | 51 | 0 | 0 | 0 | 0 | 112.7 | ||
| 203 | Q | 81.2 | Confident | 83.4 | Confident | 151 Ų | 151 | 72.7 Ų | 72.7 | 71% | 0.706 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -140 | 99.4 | -178.3 | -68.3 | -174.9 | -7.4 | 0 | 0 | 110 | L205 | Q203-L205 WeakPolarHBondContact O-CD1 3.45Å; Q203-L205 PolarHBondContact O-N 3.14Å |
| 204 | P | 83.8 | Confident | 84 | Confident | 52 Ų | 52 | 69.6 Ų | 69.6 | 34% | 0.338 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -68 | 124.8 | 177.1 | 27.9 | -33.7 | 0 | 0 | 0 | 110 | P67 N189 V201 | P67-P204 HydrophobicContact CB-CB 4.12Å; P67-P204 HydrophobicContact CG-CB 4.35Å; N189-P204 WeakPolarHBondContact OD1-CA 3.38Å; V201-P204 HydrophobicContact CG1-CB 4.35Å |
| 205 | L | 88.7 | Confident | 84.8 | Confident | 27 Ų | 27 | 64.3 Ų | 64.3 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 123.5 | 179.9 | -74.1 | 97.8 | 0 | 0 | 0 | 110.3 | F184 N185 E188 N189 Q203 I209 I226 | F184-L205 HydrophobicContact CE1-CD2 4.13Å; F184-L205 HydrophobicContact CZ-CD2 4.42Å; N185-L205 PolarHBondContact ND2-O 3.36Å; E188-L205 HydrophobicContact CB-CD1 3.88Å; E188-L205 HydrophobicContact CG-CD1 4.35Å; N189-L205 PolarHBondContact ND2-O 2.97Å; N189-L205 PolarHBondContact OD1-N 3.36Å; N189-L205 PolarHBondContact OD1-O 2.95Å; Q203-L205 WeakPolarHBondContact O-CD1 3.45Å; Q203-L205 PolarHBondContact O-N 3.14Å; L205-I209 HydrophobicContact CD2-CG2 4.09Å; L205-I226 HydrophobicContact CD2-CG2 3.93Å |
| 206 | P | 91.7 | Very high | 85.7 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 19% | 0.188 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 150.8 | 168.9 | 29.5 | -34.3 | 0 | 0 | 0 | 111.4 | P67 T208 I209 A210 | P67-P206 HydrophobicContact CB-CB 4.44Å; P206-T208 PolarHBondContact O-N 3.36Å; P206-T208 VanDerWaalsContact O-N 3.17Å; P206-I209 HydrophobicContact CG-CB 4.05Å; P206-I209 HydrophobicContact CG-CD1 3.54Å; P206-I209 HydrophobicContact CG-CG1 3.69Å; P206-I209 PolarHBondContact O-N 3.38Å; P206-A210 PolarHBondContact O-N 3.05Å |
| 207 | Y | 93 | Very high | 86.8 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.2 | -32.1 | -178.2 | -177.9 | -108.9 | 0 | 0 | 0 | 113.6 | F56 Y59 A60 A63 F178 A181 N185 I209 A210 L211 | F56-Y207 HydrophobicContact CZ-CE1 4.44Å; Y59-Y207 HydrophobicContact CE1-CD2 4.34Å; Y59-Y207 AromaticContact CE1-CE2 3.95Å; Y59-Y207 HydrophobicContact CE1-CE2 3.95Å; Y59-Y207 WeakPolarHBondContact OH-CD2 3.49Å; Y59-Y207 WeakPolarHBondContact OH-CE2 3.44Å; A60-Y207 HydrophobicContact CB-CD1 4.13Å; A60-Y207 HydrophobicContact CB-CE1 4.03Å; A63-Y207 HydrophobicContact CB-CG 4.36Å; F178-Y207 WeakPolarHBondContact CA-OH 3.28Å; F178-Y207 PolarHBondContact O-OH 3.11Å; A181-Y207 HydrophobicContact CB-CE2 3.8Å; N185-Y207 HydrophobicContact CB-CD2 4.15Å; N185-Y207 PolarHBondContact ND2-N 2.86Å; Y207-I209 PolarHBondContact O-N 3.44Å; Y207-A210 WeakPolarHBondContact O-CB 3.3Å; Y207-A210 PolarHBondContact O-N 3.23Å; Y207-L211 HydrophobicContact CD1-CD1 3.86Å; Y207-L211 HydrophobicContact CD1-CG 4.24Å; Y207-L211 HydrophobicContact CE1-CD1 3.53Å; Y207-L211 HydrophobicContact CE1-CD2 4.23Å; Y207-L211 HydrophobicContact CE1-CG 3.83Å; Y207-L211 PolarHBondContact O-N 2.79Å |
| 208 | T | 92.6 | Very high | 87.9 | Confident | 74 Ų | 74 | 52.9 Ų | 52.9 | 45% | 0.454 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.1 | -36.8 | 176.2 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | T64 P206 L211 Y212 | T64-T208 HydrophobicContact CG2-CG2 3.73Å; P206-T208 PolarHBondContact O-N 3.36Å; P206-T208 VanDerWaalsContact O-N 3.17Å; T208-L211 PolarHBondContact O-N 3.22Å; T208-Y212 PolarHBondContact O-N 2.55Å |
| 209 | I | 93.4 | Very high | 88.7 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -73 | -37.7 | 176 | -67.8 | -178 | 0 | 0 | 0 | 109.9 | L205 P206 Y207 L211 Y212 Y213 I226 | L205-I209 HydrophobicContact CD2-CG2 4.09Å; P206-I209 HydrophobicContact CG-CB 4.05Å; P206-I209 HydrophobicContact CG-CD1 3.54Å; P206-I209 HydrophobicContact CG-CG1 3.69Å; P206-I209 PolarHBondContact O-N 3.38Å; Y207-I209 PolarHBondContact O-N 3.44Å; I209-L211 PolarHBondContact O-N 3.35Å; I209-Y212 PolarHBondContact O-N 3.48Å; I209-Y213 PolarHBondContact O-N 2.81Å; I209-I226 HydrophobicContact CG2-CD1 3.42Å; I209-I226 VanDerWaalsContact CG2-CD1 3.42Å; I209-I226 HydrophobicContact CG2-CG1 4.23Å |
| 210 | A | 93.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A181 F184 N185 P206 Y207 Y212 Y213 I214 | A181-A210 HydrophobicContact CB-CB 4.3Å; F184-A210 HydrophobicContact CD1-CB 3.74Å; F184-A210 HydrophobicContact CE1-CB 4.38Å; N185-A210 HydrophobicContact CB-CB 4.03Å; P206-A210 PolarHBondContact O-N 3.05Å; Y207-A210 WeakPolarHBondContact O-CB 3.3Å; Y207-A210 PolarHBondContact O-N 3.23Å; A210-Y212 VanDerWaalsContact C-N 3.34Å; A210-Y212 PolarHBondContact O-N 3.02Å; A210-Y213 PolarHBondContact O-N 3.48Å; A210-I214 WeakPolarHBondContact O-CG1 3.34Å; A210-I214 PolarHBondContact O-N 3.38Å |
| 211 | L | 94.4 | Very high | 90 | Very high | 27 Ų | 27 | 47 Ų | 47 | 14% | 0.141 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.5 | -44.9 | 174.3 | -80.8 | 169.8 | 0 | 0 | 0 | 112.1 | W177 F178 A181 Y207 T208 I209 I215 | W177-L211 PolarHBondContact NE1-O 3.35Å; F178-L211 HydrophobicContact CD1-CD2 4.16Å; F178-L211 HydrophobicContact CD2-CD2 4Å; F178-L211 HydrophobicContact CE1-CD2 4.41Å; F178-L211 HydrophobicContact CE2-CD2 4.25Å; F178-L211 HydrophobicContact CG-CD2 3.97Å; F178-L211 HydrophobicContact CZ-CD2 4.46Å; A181-L211 HydrophobicContact CB-CB 4.39Å; A181-L211 HydrophobicContact CB-CD2 3.6Å; A181-L211 HydrophobicContact CB-CG 3.86Å; Y207-L211 HydrophobicContact CD1-CD1 3.86Å; Y207-L211 HydrophobicContact CD1-CG 4.24Å; Y207-L211 HydrophobicContact CE1-CD1 3.53Å; Y207-L211 HydrophobicContact CE1-CD2 4.23Å; Y207-L211 HydrophobicContact CE1-CG 3.83Å; Y207-L211 PolarHBondContact O-N 2.79Å; T208-L211 PolarHBondContact O-N 3.22Å; I209-L211 PolarHBondContact O-N 3.35Å; L211-I215 PolarHBondContact O-N 2.81Å; L211-I215 VanDerWaalsContact O-N 3.12Å |
| 212 | Y | 95 | Very high | 90.5 | Very high | 92 Ų | 92 | 47.3 Ų | 47.3 | 36% | 0.361 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 176.4 | 164.8 | -102.8 | 0 | 0 | 0 | 111.8 | T208 I209 A210 I214 I215 V216 Y223 D225 I226 | T208-Y212 PolarHBondContact O-N 2.55Å; I209-Y212 PolarHBondContact O-N 3.48Å; A210-Y212 VanDerWaalsContact C-N 3.34Å; A210-Y212 PolarHBondContact O-N 3.02Å; Y212-I214 PolarHBondContact O-N 3Å; Y212-I215 WeakPolarHBondContact O-CG2 3.49Å; Y212-I215 PolarHBondContact O-N 3.33Å; Y212-V216 HydrophobicContact CD2-CG2 4.04Å; Y212-V216 HydrophobicContact CE1-CG2 4.48Å; Y212-V216 HydrophobicContact CE2-CG2 3.64Å; Y212-V216 VanDerWaalsContact O-CG2 3.3Å; Y212-V216 WeakPolarHBondContact O-CG2 3.42Å; Y212-V216 PolarHBondContact O-N 2.99Å; Y212-V216 VanDerWaalsContact O-N 3.11Å; Y212-Y223 WeakPolarHBondContact OH-CD2 3.05Å; Y212-D225 WeakPolarHBondContact CE1-OD2 3.46Å; Y212-D225 PolarHBondContact OH-OD2 2.72Å; Y212-I226 HydrophobicContact CD1-CD1 3.53Å; Y212-I226 HydrophobicContact CE1-CD1 3.7Å |
| 213 | Y | 94.1 | Very high | 91.7 | Very high | 24 Ų | 24 | 49.7 Ų | 49.7 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 178.6 | 175.3 | -106.3 | 0 | 0 | 0 | 112.5 | F184 I209 A210 V216 T217 I226 P228 I237 | F184-Y213 AromaticContact CD1-CD1 3.71Å; F184-Y213 HydrophobicContact CD1-CD1 3.71Å; F184-Y213 HydrophobicContact CD1-CE1 4.4Å; F184-Y213 HydrophobicContact CD2-CD1 4.32Å; F184-Y213 HydrophobicContact CD2-CE1 4.22Å; F184-Y213 AromaticContact CE1-CD1 3.37Å; F184-Y213 HydrophobicContact CE1-CD1 3.37Å; F184-Y213 HydrophobicContact CE1-CE1 4.05Å; F184-Y213 AromaticContact CE1-CG 3.91Å; F184-Y213 HydrophobicContact CE1-CG 3.91Å; F184-Y213 HydrophobicContact CE2-CD1 4.04Å; F184-Y213 AromaticContact CE2-CE1 3.85Å; F184-Y213 HydrophobicContact CE2-CE1 3.85Å; F184-Y213 HydrophobicContact CG-CD1 4.18Å; F184-Y213 HydrophobicContact CG-CE1 4.49Å; F184-Y213 AromaticContact CZ-CD1 3.56Å; F184-Y213 HydrophobicContact CZ-CD1 3.56Å; F184-Y213 AromaticContact CZ-CE1 3.75Å; F184-Y213 HydrophobicContact CZ-CE1 3.75Å; F184-Y213 HydrophobicContact CZ-CG 4.2Å; I209-Y213 PolarHBondContact O-N 2.81Å; A210-Y213 PolarHBondContact O-N 3.48Å; Y213-V216 PolarHBondContact O-N 2.87Å; Y213-T217 WeakPolarHBondContact O-CB 3.33Å; Y213-T217 PolarHBondContact O-N 3.08Å; Y213-T217 PolarHBondContact O-OG1 3.28Å; Y213-I226 HydrophobicContact CD2-CB 3.82Å; Y213-I226 HydrophobicContact CD2-CG2 3.88Å; Y213-I226 WeakPolarHBondContact CD2-O 3.44Å; Y213-I226 WeakPolarHBondContact CE2-O 3.48Å; Y213-I226 HydrophobicContact CG-CB 4.39Å; Y213-I226 HydrophobicContact CG-CG2 4.07Å; Y213-P228 WeakPolarHBondContact OH-CD 3.41Å; Y213-I237 HydrophobicContact CD1-CD1 4.46Å; Y213-I237 HydrophobicContact CE1-CD1 3.68Å; Y213-I237 HydrophobicContact CE1-CG1 3.98Å |
| 214 | I | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -41.8 | -179.8 | -67.2 | -63.6 | 0 | 0 | 0 | 111.7 | A181 F184 A210 Y212 V216 T217 M218 I237 F240 | A181-I214 HydrophobicContact CB-CG1 4.18Å; F184-I214 HydrophobicContact CB-CD1 4.1Å; F184-I214 HydrophobicContact CB-CG1 4.41Å; F184-I214 HydrophobicContact CG-CD1 4.45Å; A210-I214 WeakPolarHBondContact O-CG1 3.34Å; A210-I214 PolarHBondContact O-N 3.38Å; Y212-I214 PolarHBondContact O-N 3Å; I214-V216 VanDerWaalsContact C-N 3.34Å; I214-V216 PolarHBondContact O-N 2.95Å; I214-T217 PolarHBondContact O-N 3.42Å; I214-M218 HydrophobicContact CG2-CG 4.05Å; I214-M218 HydrophobicContact CG2-SD 3.96Å; I214-M218 WeakPolarHBondContact O-CB 3.19Å; I214-M218 VanDerWaalsContact O-CG 3.28Å; I214-M218 WeakPolarHBondContact O-CG 3.35Å; I214-M218 PolarHBondContact O-N 2.86Å; I214-I237 HydrophobicContact CD1-CD1 3.61Å; I214-F240 HydrophobicContact CD1-CD1 4.26Å; I214-F240 HydrophobicContact CD1-CE1 4.03Å; I214-F240 HydrophobicContact CG2-CE1 3.68Å; I214-F240 HydrophobicContact CG2-CZ 3.66Å |
| 215 | I | 92.8 | Very high | 92.4 | Very high | 46 Ų | 46 | 46.9 Ų | 46.9 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 178.6 | -167.3 | 64.6 | 0 | 0 | 0 | 111.9 | F173 W177 L211 Y212 T217 M218 S219 | F173-I215 HydrophobicContact CE1-CD1 4.41Å; F173-I215 HydrophobicContact CZ-CD1 4.13Å; W177-I215 HydrophobicContact CD2-CD1 4.22Å; W177-I215 HydrophobicContact CZ2-CB 3.88Å; W177-I215 HydrophobicContact CZ2-CD1 4.45Å; W177-I215 HydrophobicContact CZ2-CG1 4.21Å; W177-I215 HydrophobicContact CZ2-CG2 4.15Å; L211-I215 PolarHBondContact O-N 2.81Å; L211-I215 VanDerWaalsContact O-N 3.12Å; Y212-I215 WeakPolarHBondContact O-CG2 3.49Å; Y212-I215 PolarHBondContact O-N 3.33Å; I215-T217 VanDerWaalsContact C-N 3.28Å; I215-T217 PolarHBondContact O-N 3.36Å; I215-M218 PolarHBondContact O-N 3.05Å; I215-S219 WeakPolarHBondContact O-CB 3.19Å; I215-S219 PolarHBondContact O-N 2.93Å; I215-S219 PolarHBondContact O-OG 2.94Å |
| 216 | V | 93.6 | Very high | 92.4 | Very high | 11 Ų | 11 | 47 Ų | 47 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.2 | -35.2 | 174 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | Y212 Y213 I214 S219 T220 V221 G222 Y223 | Y212-V216 HydrophobicContact CD2-CG2 4.04Å; Y212-V216 HydrophobicContact CE1-CG2 4.48Å; Y212-V216 HydrophobicContact CE2-CG2 3.64Å; Y212-V216 VanDerWaalsContact O-CG2 3.3Å; Y212-V216 WeakPolarHBondContact O-CG2 3.42Å; Y212-V216 PolarHBondContact O-N 2.99Å; Y212-V216 VanDerWaalsContact O-N 3.11Å; Y213-V216 PolarHBondContact O-N 2.87Å; I214-V216 VanDerWaalsContact C-N 3.34Å; I214-V216 PolarHBondContact O-N 2.95Å; V216-S219 WeakPolarHBondContact CA-OG 3.45Å; V216-S219 PolarHBondContact O-OG 3.26Å; V216-T220 PolarHBondContact O-N 2.98Å; V216-V221 HydrophobicContact CG1-CB 4.19Å; V216-V221 HydrophobicContact CG1-CG1 4.48Å; V216-V221 PolarHBondContact O-N 3.49Å; V216-V221 VanDerWaalsContact O-N 3.09Å; V216-G222 PolarHBondContact O-N 3.43Å; V216-Y223 HydrophobicContact CB-CD2 4.48Å; V216-Y223 HydrophobicContact CG1-CD2 3.61Å; V216-Y223 HydrophobicContact CG1-CE2 4.2Å; V216-Y223 HydrophobicContact CG1-CG 4.34Å; V216-Y223 HydrophobicContact CG2-CD2 3.95Å; V216-Y223 HydrophobicContact CG2-CE2 4.02Å |
| 217 | T | 93.2 | Very high | 92.4 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 10% | 0.104 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -75.1 | -44.3 | 177.1 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | Y213 I214 I215 S219 T220 I241 | Y213-T217 WeakPolarHBondContact O-CB 3.33Å; Y213-T217 PolarHBondContact O-N 3.08Å; Y213-T217 PolarHBondContact O-OG1 3.28Å; I214-T217 PolarHBondContact O-N 3.42Å; I215-T217 VanDerWaalsContact C-N 3.28Å; I215-T217 PolarHBondContact O-N 3.36Å; T217-S219 VanDerWaalsContact C-N 3.3Å; T217-S219 PolarHBondContact O-N 2.98Å; T217-T220 PolarHBondContact O-N 3.45Å; T217-I241 HydrophobicContact CG2-CD1 4.13Å; T217-I241 HydrophobicContact CG2-CG1 3.68Å |
| 218 | M | 92 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62 | -38 | 177.2 | -71.6 | -175.7 | 74 | 0 | 0 | 112 | F173 I176 W177 I214 I215 T220 F240 A244 F248 | F173-M218 HydrophobicContact CD2-CE 4.22Å; F173-M218 HydrophobicContact CE2-CE 3.71Å; F173-M218 HydrophobicContact CZ-CE 4.25Å; I176-M218 HydrophobicContact CG2-CE 4.3Å; W177-M218 HydrophobicContact CB-SD 4Å; W177-M218 HydrophobicContact CG-SD 4.41Å; I214-M218 HydrophobicContact CG2-CG 4.05Å; I214-M218 HydrophobicContact CG2-SD 3.96Å; I214-M218 WeakPolarHBondContact O-CB 3.19Å; I214-M218 VanDerWaalsContact O-CG 3.28Å; I214-M218 WeakPolarHBondContact O-CG 3.35Å; I214-M218 PolarHBondContact O-N 2.86Å; I215-M218 PolarHBondContact O-N 3.05Å; M218-T220 PolarHBondContact O-N 3.47Å; M218-F240 HydrophobicContact CG-CE1 3.77Å; M218-F240 HydrophobicContact CG-CZ 3.92Å; M218-F240 HydrophobicContact SD-CE1 4.46Å; M218-F240 HydrophobicContact SD-CZ 4.02Å; M218-A244 HydrophobicContact CB-CB 4.46Å; M218-A244 HydrophobicContact CG-CB 3.83Å; M218-F248 HydrophobicContact CB-CD2 4.24Å; M218-F248 WeakPolarHBondContact O-CG 3.47Å |
| 219 | S | 91.5 | Very high | 92.1 | Very high | 33 Ų | 33 | 52 Ų | 52 | 23% | 0.231 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 4.9 | 175.9 | 57 | 0 | 0 | 0 | 0 | 114.2 | I215 V216 T217 V221 | I215-S219 WeakPolarHBondContact O-CB 3.19Å; I215-S219 PolarHBondContact O-N 2.93Å; I215-S219 PolarHBondContact O-OG 2.94Å; V216-S219 WeakPolarHBondContact CA-OG 3.45Å; V216-S219 PolarHBondContact O-OG 3.26Å; T217-S219 VanDerWaalsContact C-N 3.3Å; T217-S219 PolarHBondContact O-N 2.98Å; S219-V221 PolarHBondContact O-N 3.43Å; S219-V221 VanDerWaalsContact O-N 3.08Å |
| 220 | T | 91.8 | Very high | 91.8 | Very high | 98 Ų | 98 | 49 Ų | 49 | 60% | 0.601 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 19.4 | -179.7 | 69.5 | 0 | 0 | 0 | 0 | 115.4 | V216 T217 M218 L245 | V216-T220 PolarHBondContact O-N 2.98Å; T217-T220 PolarHBondContact O-N 3.45Å; M218-T220 PolarHBondContact O-N 3.47Å; T220-L245 HydrophobicContact CG2-CD1 3.96Å; T220-L245 HydrophobicContact CG2-CG 4.45Å |
| 221 | V | 92.9 | Very high | 91.7 | Very high | 77 Ų | 77 | 56 Ų | 56 | 47% | 0.467 | 31% | 0.305 | S | S | . | . | trans | -74.2 | -48.4 | 178.7 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | V216 S219 Y223 | V216-V221 HydrophobicContact CG1-CB 4.19Å; V216-V221 HydrophobicContact CG1-CG1 4.48Å; V216-V221 PolarHBondContact O-N 3.49Å; V216-V221 VanDerWaalsContact O-N 3.09Å; S219-V221 PolarHBondContact O-N 3.43Å; S219-V221 VanDerWaalsContact O-N 3.08Å; V221-Y223 HydrophobicContact CG1-CD1 4.02Å; V221-Y223 HydrophobicContact CG1-CD2 4.14Å; V221-Y223 HydrophobicContact CG1-CE1 3.66Å; V221-Y223 HydrophobicContact CG1-CE2 3.78Å; V221-Y223 HydrophobicContact CG1-CG 4.24Å | ||
| 222 | G | 88.5 | Confident | 91.5 | Very high | 52 Ų | 52 | 58 Ų | 58 | 54% | 0.536 | 32% | 0.315 | S | S | . | . | trans | 56.1 | 59.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | V216 G224 | V216-G222 PolarHBondContact O-N 3.43Å; G222-G224 PolarHBondContact O-N 2.9Å; G222-G224 VanDerWaalsContact O-N 3.1Å | ||
| 223 | Y | 93 | Very high | 91.3 | Very high | 158 Ų | 158 | 53.6 Ų | 53.6 | 62% | 0.62 | 30% | 0.298 | S | S | * | . | trans | -56.7 | -27.6 | -178.3 | -70 | -61 | 0 | 0 | 0 | 115 | Y212 V216 V221 D225 | Y212-Y223 WeakPolarHBondContact OH-CD2 3.05Å; V216-Y223 HydrophobicContact CB-CD2 4.48Å; V216-Y223 HydrophobicContact CG1-CD2 3.61Å; V216-Y223 HydrophobicContact CG1-CE2 4.2Å; V216-Y223 HydrophobicContact CG1-CG 4.34Å; V216-Y223 HydrophobicContact CG2-CD2 3.95Å; V216-Y223 HydrophobicContact CG2-CE2 4.02Å; V221-Y223 HydrophobicContact CG1-CD1 4.02Å; V221-Y223 HydrophobicContact CG1-CD2 4.14Å; V221-Y223 HydrophobicContact CG1-CE1 3.66Å; V221-Y223 HydrophobicContact CG1-CE2 3.78Å; V221-Y223 HydrophobicContact CG1-CG 4.24Å; Y223-D225 PolarHBondContact O-N 3.28Å | ||
| 224 | G | 88.3 | Confident | 91.2 | Very high | 54 Ų | 54 | 57.1 Ų | 57.1 | 56% | 0.557 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 73.5 | 10.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G222 | G222-G224 PolarHBondContact O-N 2.9Å; G222-G224 VanDerWaalsContact O-N 3.1Å |
| 225 | D | 91.8 | Very high | 91.2 | Very high | 90 Ų | 90 | 59.6 Ų | 59.6 | 48% | 0.481 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -69.9 | -33.6 | 173.1 | 56.6 | -15.1 | 0 | 0 | 0 | 112.3 | Y212 Y223 | Y212-D225 WeakPolarHBondContact CE1-OD2 3.46Å; Y212-D225 PolarHBondContact OH-OD2 2.72Å; Y223-D225 PolarHBondContact O-N 3.28Å |
| 226 | I | 90 | Very high | 91.2 | Very high | 30 Ų | 30 | 59 Ų | 59 | 15% | 0.154 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -121.6 | 134.9 | 171.2 | -59.5 | 154.5 | 0 | 0 | 0 | 107.5 | F184 L205 I209 Y212 Y213 | F184-I226 HydrophobicContact CE1-CG2 4.48Å; F184-I226 HydrophobicContact CZ-CG2 4.35Å; L205-I226 HydrophobicContact CD2-CG2 3.93Å; I209-I226 HydrophobicContact CG2-CD1 3.42Å; I209-I226 VanDerWaalsContact CG2-CD1 3.42Å; I209-I226 HydrophobicContact CG2-CG1 4.23Å; Y212-I226 HydrophobicContact CD1-CD1 3.53Å; Y212-I226 HydrophobicContact CE1-CD1 3.7Å; Y213-I226 HydrophobicContact CD2-CB 3.82Å; Y213-I226 HydrophobicContact CD2-CG2 3.88Å; Y213-I226 WeakPolarHBondContact CD2-O 3.44Å; Y213-I226 WeakPolarHBondContact CE2-O 3.48Å; Y213-I226 HydrophobicContact CG-CB 4.39Å; Y213-I226 HydrophobicContact CG-CG2 4.07Å |
| 227 | V | 90.7 | Very high | 91.3 | Very high | 73 Ų | 73 | 58.9 Ų | 58.9 | 44% | 0.442 | 33% | 0.329 | S | S | . | . | trans | -138.4 | 144 | 178.8 | -65.6 | 0 | 0 | 0 | 0 | 110.2 | Q229 | V227-Q229 PolarHBondContact O-N 3.47Š| ||
| 228 | P | 90.7 | Very high | 91.2 | Very high | 19 Ų | 19 | 61.9 Ų | 61.9 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | trans | -64.5 | 123 | 176.6 | 24.9 | -33 | 0 | 0 | 0 | 109.8 | F184 E188 Y213 K234 | F184-P228 HydrophobicContact CE2-CB 4Å; E188-P228 WeakPolarHBondContact OE1-CA 3.29Å; Y213-P228 WeakPolarHBondContact OH-CD 3.41Å; P228-K234 HydrophobicContact CB-CG 3.89Å; P228-K234 HydrophobicContact CG-CG 3.83Å; P228-K234 WeakPolarHBondContact O-CE 3.46Å | ||
| 229 | Q | 87.8 | Confident | 91.3 | Very high | 120 Ų | 120 | 67 Ų | 67 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | trans | -91.9 | -32.3 | 177.6 | -64.5 | -63.2 | -18.1 | 0 | 0 | 111.3 | E188 V227 | E188-Q229 PolarHBondContact OE1-N 3.47Å; E188-Q229 PolarHBondContact OE2-N 3.32Å; V227-Q229 PolarHBondContact O-N 3.47Å | ||
| 230 | T | 88.9 | Confident | 91.4 | Very high | 7 Ų | 7 | 66.2 Ų | 66.2 | 4% | 0.043 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -79.2 | 149.7 | -175 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | E188 N192 L232 G233 K234 | E188-T230 PolarHBondContact OE1-N 3.35Å; E188-T230 VanDerWaalsContact OE1-N 3.09Å; E188-T230 PolarHBondContact OE1-OG1 3.47Å; N192-T230 VanDerWaalsContact OD1-CA 3.25Å; N192-T230 WeakPolarHBondContact OD1-CA 3.14Å; T230-L232 VanDerWaalsContact C-N 3.29Å; T230-L232 PolarHBondContact O-N 2.86Å; T230-G233 PolarHBondContact O-N 2.89Å; T230-G233 WeakPolarHBondContact OG1-CA 3.06Å; T230-G233 PolarHBondContact OG1-N 2.73Å; T230-K234 WeakPolarHBondContact O-CB 3.36Å; T230-K234 WeakPolarHBondContact O-CG 3.35Å; T230-K234 PolarHBondContact O-N 3.31Å |
| 231 | Y | 89.4 | Confident | 91.5 | Very high | 149 Ų | 149 | 65 Ų | 65 | 58% | 0.584 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.8 | -41.1 | 175.5 | -62.7 | -59 | 0 | 0 | 0 | 111.7 | N192 A235 | N192-Y231 HydrophobicContact CB-CD2 4.2Å; N192-Y231 HydrophobicContact CB-CE2 4.43Å; N192-Y231 WeakPolarHBondContact OD1-CD2 3.46Å; N192-Y231 PolarHBondContact OD1-N 3.44Å; Y231-A235 WeakPolarHBondContact O-CB 3.31Å; Y231-A235 PolarHBondContact O-N 2.99Å |
| 232 | L | 90.2 | Very high | 91.3 | Very high | 67 Ų | 67 | 67.2 Ų | 67.2 | 35% | 0.351 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.7 | -41.7 | 176.8 | -71.8 | -177.8 | 0 | 0 | 0 | 112.3 | F187 I193 T230 K234 A235 F236 | F187-L232 HydrophobicContact CB-CB 4.16Å; F187-L232 HydrophobicContact CD1-CB 4.3Å; F187-L232 HydrophobicContact CD1-CD1 4.26Å; F187-L232 HydrophobicContact CD2-CB 4.46Å; F187-L232 HydrophobicContact CG-CB 4.08Å; I193-L232 HydrophobicContact CD1-CD1 3.51Å; I193-L232 HydrophobicContact CG1-CD1 4.1Å; T230-L232 VanDerWaalsContact C-N 3.29Å; T230-L232 PolarHBondContact O-N 2.86Å; L232-K234 PolarHBondContact O-N 3.47Å; L232-A235 PolarHBondContact O-N 3.38Å; L232-F236 VanDerWaalsContact O-CB 3.31Å; L232-F236 WeakPolarHBondContact O-CB 3.29Å; L232-F236 PolarHBondContact O-N 2.89Å |
| 233 | G | 91.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.8 | -45 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T230 F236 I237 | T230-G233 PolarHBondContact O-N 2.89Å; T230-G233 WeakPolarHBondContact OG1-CA 3.06Å; T230-G233 PolarHBondContact OG1-N 2.73Å; G233-F236 PolarHBondContact O-N 3.41Å; G233-I237 WeakPolarHBondContact O-CB 3.48Å; G233-I237 VanDerWaalsContact O-CG1 3.28Å; G233-I237 WeakPolarHBondContact O-CG1 3.38Å; G233-I237 PolarHBondContact O-N 3.36Å |
| 234 | K | 92.5 | Very high | 91.2 | Very high | 98 Ų | 98 | 64.2 Ų | 64.2 | 43% | 0.426 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.4 | -48 | 175 | -73.3 | 175.4 | -176 | 177.6 | 0 | 112.1 | P228 T230 L232 I237 S238 | P228-K234 HydrophobicContact CB-CG 3.89Å; P228-K234 HydrophobicContact CG-CG 3.83Å; P228-K234 WeakPolarHBondContact O-CE 3.46Å; T230-K234 WeakPolarHBondContact O-CB 3.36Å; T230-K234 WeakPolarHBondContact O-CG 3.35Å; T230-K234 PolarHBondContact O-N 3.31Å; L232-K234 PolarHBondContact O-N 3.47Å; K234-I237 PolarHBondContact O-N 3.28Å; K234-S238 WeakPolarHBondContact O-CB 3.33Å; K234-S238 PolarHBondContact O-N 3.4Å; K234-S238 PolarHBondContact O-OG 3.07Å; K234-S238 VanDerWaalsContact O-OG 3.05Å |
| 235 | A | 93.6 | Very high | 91.3 | Very high | 52 Ų | 52 | 66 Ų | 66 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y231 L232 S238 L239 | Y231-A235 WeakPolarHBondContact O-CB 3.31Å; Y231-A235 PolarHBondContact O-N 2.99Å; L232-A235 PolarHBondContact O-N 3.38Å; A235-S238 PolarHBondContact O-N 3.1Å; A235-L239 PolarHBondContact O-N 3.11Å; A235-L239 VanDerWaalsContact O-N 3.17Å |
| 236 | F | 94.1 | Very high | 91.2 | Very high | 34 Ų | 34 | 64.5 Ų | 64.5 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.8 | -49.1 | 177.3 | 172.4 | -104.1 | 0 | 0 | 0 | 111.8 | F183 F184 F187 L232 G233 S238 L239 F240 | F183-F236 HydrophobicContact CB-CD1 4.17Å; F183-F236 HydrophobicContact CB-CD2 4.11Å; F183-F236 HydrophobicContact CB-CE1 3.61Å; F183-F236 HydrophobicContact CB-CE2 3.54Å; F183-F236 HydrophobicContact CB-CG 4.4Å; F183-F236 HydrophobicContact CB-CZ 3.28Å; F183-F236 HydrophobicContact CD1-CE2 4.32Å; F183-F236 AromaticContact CD2-CE2 3.92Å; F183-F236 HydrophobicContact CD2-CE2 3.92Å; F183-F236 HydrophobicContact CD2-CZ 4.04Å; F183-F236 HydrophobicContact CG-CD2 4.36Å; F183-F236 AromaticContact CG-CE2 3.7Å; F183-F236 HydrophobicContact CG-CE2 3.7Å; F183-F236 AromaticContact CG-CZ 3.87Å; F183-F236 HydrophobicContact CG-CZ 3.87Å; F184-F236 HydrophobicContact CB-CE1 4.33Å; F187-F236 HydrophobicContact CD2-CB 3.66Å; F187-F236 HydrophobicContact CD2-CD1 4.45Å; F187-F236 HydrophobicContact CD2-CD2 4.5Å; F187-F236 AromaticContact CD2-CG 3.95Å; F187-F236 HydrophobicContact CD2-CG 3.95Å; F187-F236 HydrophobicContact CE2-CB 3.7Å; F187-F236 AromaticContact CE2-CD2 3.96Å; F187-F236 HydrophobicContact CE2-CD2 3.96Å; F187-F236 AromaticContact CE2-CG 3.85Å; F187-F236 HydrophobicContact CE2-CG 3.85Å; L232-F236 VanDerWaalsContact O-CB 3.31Å; L232-F236 WeakPolarHBondContact O-CB 3.29Å; L232-F236 PolarHBondContact O-N 2.89Å; G233-F236 PolarHBondContact O-N 3.41Å; F236-S238 VanDerWaalsContact C-N 3.34Å; F236-S238 PolarHBondContact O-N 3.41Å; F236-L239 PolarHBondContact O-N 3.01Å; F236-F240 HydrophobicContact CE1-CB 4.16Å; F236-F240 HydrophobicContact CE1-CD2 4.43Å; F236-F240 HydrophobicContact CE1-CG 4.27Å; F236-F240 HydrophobicContact CE2-CB 4.4Å; F236-F240 HydrophobicContact CZ-CB 4.05Å; F236-F240 AromaticContact CZ-CD2 3.86Å; F236-F240 HydrophobicContact CZ-CD2 3.86Å; F236-F240 HydrophobicContact CZ-CG 4.1Å; F236-F240 WeakPolarHBondContact O-CB 3.4Å; F236-F240 PolarHBondContact O-N 3.19Å |
| 237 | I | 94 | Very high | 91 | Very high | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | -179.4 | -67.8 | -58.9 | 0 | 0 | 0 | 111.3 | F184 Y213 I214 G233 K234 L239 F240 I241 | F184-I237 HydrophobicContact CB-CD1 4.45Å; F184-I237 HydrophobicContact CD2-CD1 3.88Å; F184-I237 HydrophobicContact CD2-CG1 3.94Å; F184-I237 HydrophobicContact CE2-CG1 4.27Å; F184-I237 HydrophobicContact CG-CD1 4.31Å; Y213-I237 HydrophobicContact CD1-CD1 4.46Å; Y213-I237 HydrophobicContact CE1-CD1 3.68Å; Y213-I237 HydrophobicContact CE1-CG1 3.98Å; I214-I237 HydrophobicContact CD1-CD1 3.61Å; G233-I237 WeakPolarHBondContact O-CB 3.48Å; G233-I237 VanDerWaalsContact O-CG1 3.28Å; G233-I237 WeakPolarHBondContact O-CG1 3.38Å; G233-I237 PolarHBondContact O-N 3.36Å; K234-I237 PolarHBondContact O-N 3.28Å; I237-L239 VanDerWaalsContact C-N 3.34Å; I237-L239 PolarHBondContact O-N 3.17Å; I237-F240 PolarHBondContact O-N 3.37Å; I237-I241 HydrophobicContact CG2-CD1 3.83Å; I237-I241 HydrophobicContact CG2-CG1 4.26Å; I237-I241 VanDerWaalsContact O-CG1 3.25Å; I237-I241 WeakPolarHBondContact O-CG1 3.29Å; I237-I241 PolarHBondContact O-N 3.29Å |
| 238 | S | 92.6 | Very high | 91 | Very high | 81 Ų | 81 | 63.9 Ų | 63.9 | 57% | 0.566 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -58.8 | -43 | 175.5 | -65.8 | 0 | 0 | 0 | 0 | 112.7 | K234 A235 F236 | K234-S238 WeakPolarHBondContact O-CB 3.33Å; K234-S238 PolarHBondContact O-N 3.4Å; K234-S238 PolarHBondContact O-OG 3.07Å; K234-S238 VanDerWaalsContact O-OG 3.05Å; A235-S238 PolarHBondContact O-N 3.1Å; F236-S238 VanDerWaalsContact C-N 3.34Å; F236-S238 PolarHBondContact O-N 3.41Å |
| 239 | L | 93.3 | Very high | 90.9 | Very high | 106 Ų | 106 | 66 Ų | 66 | 56% | 0.555 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -71.4 | -42.3 | 174.8 | -74.1 | 168 | 0 | 0 | 0 | 111.8 | A235 F236 I237 I241 L242 F243 | A235-L239 PolarHBondContact O-N 3.11Å; A235-L239 VanDerWaalsContact O-N 3.17Å; F236-L239 PolarHBondContact O-N 3.01Å; I237-L239 VanDerWaalsContact C-N 3.34Å; I237-L239 PolarHBondContact O-N 3.17Å; L239-I241 VanDerWaalsContact C-N 3.31Å; L239-I241 PolarHBondContact O-N 2.85Å; L239-L242 WeakPolarHBondContact O-CB 3.47Å; L239-L242 PolarHBondContact O-N 3.06Å; L239-F243 WeakPolarHBondContact O-CD2 3.48Å |
| 240 | F | 93.8 | Very high | 90.9 | Very high | 17 Ų | 17 | 63.7 Ų | 63.7 | 8% | 0.075 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.6 | -37.7 | -178.5 | 179.5 | -100 | 0 | 0 | 0 | 111.7 | I176 I214 M218 F236 I237 L242 F243 A244 | I176-F240 HydrophobicContact CG2-CE2 4.16Å; I176-F240 HydrophobicContact CG2-CZ 4.48Å; I214-F240 HydrophobicContact CD1-CD1 4.26Å; I214-F240 HydrophobicContact CD1-CE1 4.03Å; I214-F240 HydrophobicContact CG2-CE1 3.68Å; I214-F240 HydrophobicContact CG2-CZ 3.66Å; M218-F240 HydrophobicContact CG-CE1 3.77Å; M218-F240 HydrophobicContact CG-CZ 3.92Å; M218-F240 HydrophobicContact SD-CE1 4.46Å; M218-F240 HydrophobicContact SD-CZ 4.02Å; F236-F240 HydrophobicContact CE1-CB 4.16Å; F236-F240 HydrophobicContact CE1-CD2 4.43Å; F236-F240 HydrophobicContact CE1-CG 4.27Å; F236-F240 HydrophobicContact CE2-CB 4.4Å; F236-F240 HydrophobicContact CZ-CB 4.05Å; F236-F240 AromaticContact CZ-CD2 3.86Å; F236-F240 HydrophobicContact CZ-CD2 3.86Å; F236-F240 HydrophobicContact CZ-CG 4.1Å; F236-F240 WeakPolarHBondContact O-CB 3.4Å; F236-F240 PolarHBondContact O-N 3.19Å; I237-F240 PolarHBondContact O-N 3.37Å; F240-L242 VanDerWaalsContact C-N 3.27Å; F240-L242 PolarHBondContact O-N 2.89Å; F240-F243 PolarHBondContact O-N 3.35Å; F240-F243 VanDerWaalsContact O-N 3.17Å; F240-A244 HydrophobicContact CD1-CB 3.97Å; F240-A244 HydrophobicContact CE1-CB 3.67Å; F240-A244 HydrophobicContact CZ-CB 4.06Å; F240-A244 WeakPolarHBondContact O-CB 3.24Å; F240-A244 PolarHBondContact O-N 2.78Å |
| 241 | I | 93.3 | Very high | 90.9 | Very high | 72 Ų | 72 | 63.8 Ų | 63.8 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.6 | -39.8 | 177 | -73.1 | 163.5 | 0 | 0 | 0 | 111.6 | T217 I237 L239 F243 A244 L245 | T217-I241 HydrophobicContact CG2-CD1 4.13Å; T217-I241 HydrophobicContact CG2-CG1 3.68Å; I237-I241 HydrophobicContact CG2-CD1 3.83Å; I237-I241 HydrophobicContact CG2-CG1 4.26Å; I237-I241 VanDerWaalsContact O-CG1 3.25Å; I237-I241 WeakPolarHBondContact O-CG1 3.29Å; I237-I241 PolarHBondContact O-N 3.29Å; L239-I241 VanDerWaalsContact C-N 3.31Å; L239-I241 PolarHBondContact O-N 2.85Å; I241-F243 PolarHBondContact O-N 3.3Å; I241-A244 PolarHBondContact O-N 2.96Å; I241-L245 VanDerWaalsContact O-CB 3.23Å; I241-L245 WeakPolarHBondContact O-CB 3.4Å; I241-L245 PolarHBondContact O-N 3.47Å |
| 242 | L | 90.2 | Very high | 90.9 | Very high | 124 Ų | 124 | 59.1 Ų | 59.1 | 65% | 0.649 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 178.5 | -64.7 | 174.1 | 0 | 0 | 0 | 111.9 | L239 F240 | L239-L242 WeakPolarHBondContact O-CB 3.47Å; L239-L242 PolarHBondContact O-N 3.06Å; F240-L242 VanDerWaalsContact C-N 3.27Å; F240-L242 PolarHBondContact O-N 2.89Å |
| 243 | F | 89.5 | Confident | 90.9 | Very high | 146 Ų | 146 | 59 Ų | 59 | 64% | 0.64 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -75.8 | -39.3 | 177.7 | -68.7 | -80.4 | 0 | 0 | 0 | 112.6 | L239 F240 I241 A246 T247 | L239-F243 WeakPolarHBondContact O-CD2 3.48Å; F240-F243 PolarHBondContact O-N 3.35Å; F240-F243 VanDerWaalsContact O-N 3.17Å; I241-F243 PolarHBondContact O-N 3.3Å; F243-A246 PolarHBondContact O-N 2.91Å; F243-T247 WeakPolarHBondContact O-CB 3.43Å; F243-T247 VanDerWaalsContact O-CG2 3.29Å; F243-T247 WeakPolarHBondContact O-CG2 3.13Å; F243-T247 PolarHBondContact O-N 3.16Å; F243-T247 PolarHBondContact O-OG1 3.35Å |
| 244 | A | 89.4 | Confident | 90.8 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.008 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M218 F240 I241 T247 F248 | M218-A244 HydrophobicContact CB-CB 4.46Å; M218-A244 HydrophobicContact CG-CB 3.83Å; F240-A244 HydrophobicContact CD1-CB 3.97Å; F240-A244 HydrophobicContact CE1-CB 3.67Å; F240-A244 HydrophobicContact CZ-CB 4.06Å; F240-A244 WeakPolarHBondContact O-CB 3.24Å; F240-A244 PolarHBondContact O-N 2.78Å; I241-A244 PolarHBondContact O-N 2.96Å; A244-T247 WeakPolarHBondContact CA-OG1 3.4Å; A244-T247 PolarHBondContact O-N 3.19Å; A244-T247 PolarHBondContact O-OG1 3.49Å; A244-F248 WeakPolarHBondContact O-CB 3.28Å; A244-F248 PolarHBondContact O-N 2.99Å |
| 245 | L | 89.4 | Confident | 90.6 | Very high | 91 Ų | 91 | 58.1 Ų | 58.1 | 48% | 0.476 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.8 | -41.7 | -179.5 | -165 | 146.8 | 0 | 0 | 0 | 111 | T220 I241 T247 A249 | T220-L245 HydrophobicContact CG2-CD1 3.96Å; T220-L245 HydrophobicContact CG2-CG 4.45Å; I241-L245 VanDerWaalsContact O-CB 3.23Å; I241-L245 WeakPolarHBondContact O-CB 3.4Å; I241-L245 PolarHBondContact O-N 3.47Å; L245-T247 PolarHBondContact O-N 3.22Å; L245-A249 WeakPolarHBondContact O-CB 3.4Å; L245-A249 PolarHBondContact O-N 3.04Å |
| 246 | A | 89.1 | Confident | 90.4 | Very high | 59 Ų | 59 | 58.5 Ų | 58.5 | 49% | 0.488 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F243 S250 | F243-A246 PolarHBondContact O-N 2.91Å; A246-S250 WeakPolarHBondContact O-CB 3.39Å; A246-S250 PolarHBondContact O-N 2.99Å; A246-S250 PolarHBondContact O-OG 3.49Å |
| 247 | T | 87.8 | Confident | 90 | Very high | 32 Ų | 32 | 61.6 Ų | 61.6 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -74.7 | -40.7 | -179.5 | 51 | 0 | 0 | 0 | 0 | 112.3 | I176 F243 A244 L245 S250 A251 | I176-T247 HydrophobicContact CD1-CG2 3.81Å; F243-T247 WeakPolarHBondContact O-CB 3.43Å; F243-T247 VanDerWaalsContact O-CG2 3.29Å; F243-T247 WeakPolarHBondContact O-CG2 3.13Å; F243-T247 PolarHBondContact O-N 3.16Å; F243-T247 PolarHBondContact O-OG1 3.35Å; A244-T247 WeakPolarHBondContact CA-OG1 3.4Å; A244-T247 PolarHBondContact O-N 3.19Å; A244-T247 PolarHBondContact O-OG1 3.49Å; L245-T247 PolarHBondContact O-N 3.22Å; T247-S250 PolarHBondContact O-N 3.15Å; T247-S250 PolarHBondContact O-OG 3.22Å; T247-A251 WeakPolarHBondContact O-CB 3.39Å; T247-A251 PolarHBondContact O-N 3.3Å |
| 248 | F | 89.9 | Confident | 89.4 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 26% | 0.259 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 176.6 | -168.1 | -86.6 | 0 | 0 | 0 | 111.5 | F173 M218 A244 S250 I252 | F173-F248 AromaticContact CE2-CD2 3.84Å; F173-F248 HydrophobicContact CE2-CD2 3.84Å; F173-F248 HydrophobicContact CE2-CE2 4.46Å; F173-F248 HydrophobicContact CZ-CD2 4.09Å; F173-F248 HydrophobicContact CZ-CE2 4.31Å; M218-F248 HydrophobicContact CB-CD2 4.24Å; M218-F248 WeakPolarHBondContact O-CG 3.47Å; A244-F248 WeakPolarHBondContact O-CB 3.28Å; A244-F248 PolarHBondContact O-N 2.99Å; F248-S250 VanDerWaalsContact C-N 3.32Å; F248-S250 PolarHBondContact O-N 3.26Å; F248-I252 HydrophobicContact CD1-CG1 4.33Å; F248-I252 HydrophobicContact CD2-CG1 3.97Å; F248-I252 HydrophobicContact CE1-CG1 4.26Å; F248-I252 HydrophobicContact CE2-CD1 4.46Å; F248-I252 HydrophobicContact CE2-CG1 3.89Å; F248-I252 HydrophobicContact CG-CG1 4.18Å; F248-I252 HydrophobicContact CZ-CG1 4.04Å; F248-I252 WeakPolarHBondContact O-CB 3.02Å; F248-I252 WeakPolarHBondContact O-CG1 3.31Å; F248-I252 PolarHBondContact O-N 3.39Å |
| 249 | A | 88 | Confident | 88.8 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 53% | 0.529 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.1 | -26.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L245 P253 | L245-A249 WeakPolarHBondContact O-CB 3.4Å; L245-A249 PolarHBondContact O-N 3.04Å; A249-P253 VanDerWaalsContact O-CD 3.32Å; A249-P253 WeakPolarHBondContact O-CD 3.42Å; A249-P253 WeakPolarHBondContact O-CG 3.23Å |
| 250 | S | 89.2 | Confident | 88 | Confident | 71 Ų | 71 | 68.5 Ų | 68.5 | 50% | 0.497 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -92.3 | -46.7 | 178.1 | 53.1 | 0 | 0 | 0 | 0 | 113 | A246 T247 F248 | A246-S250 WeakPolarHBondContact O-CB 3.39Å; A246-S250 PolarHBondContact O-N 2.99Å; A246-S250 PolarHBondContact O-OG 3.49Å; T247-S250 PolarHBondContact O-N 3.15Å; T247-S250 PolarHBondContact O-OG 3.22Å; F248-S250 VanDerWaalsContact C-N 3.32Å; F248-S250 PolarHBondContact O-N 3.26Å |
| 251 | A | 88.1 | Confident | 86.7 | Confident | 8 Ų | 8 | 73.4 Ų | 73.4 | 7% | 0.066 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -74.5 | -41 | -172 | 0 | 0 | 0 | 0 | 0 | 113.1 | F173 T247 I255 | F173-A251 HydrophobicContact CD2-CB 4.46Å; T247-A251 WeakPolarHBondContact O-CB 3.39Å; T247-A251 PolarHBondContact O-N 3.3Å; A251-I255 HydrophobicContact CB-CD1 4.47Å; A251-I255 WeakPolarHBondContact O-CB 3.22Å; A251-I255 WeakPolarHBondContact O-CD1 3.45Å; A251-I255 WeakPolarHBondContact O-CG1 3.29Å; A251-I255 PolarHBondContact O-N 3.5Å |
| 252 | I | 89.6 | Confident | 85.5 | Confident | 52 Ų | 52 | 75.8 Ų | 75.8 | 27% | 0.267 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67 | -48.6 | -174.1 | -62 | -58.3 | 0 | 0 | 0 | 112.5 | F173 F248 E254 I255 V256 | F173-I252 HydrophobicContact CD2-CD1 4.37Å; F173-I252 HydrophobicContact CE1-CD1 4.48Å; F173-I252 HydrophobicContact CE2-CD1 3.97Å; F173-I252 HydrophobicContact CE2-CG1 4.34Å; F173-I252 HydrophobicContact CZ-CD1 4.04Å; F248-I252 HydrophobicContact CD1-CG1 4.33Å; F248-I252 HydrophobicContact CD2-CG1 3.97Å; F248-I252 HydrophobicContact CE1-CG1 4.26Å; F248-I252 HydrophobicContact CE2-CD1 4.46Å; F248-I252 HydrophobicContact CE2-CG1 3.89Å; F248-I252 HydrophobicContact CG-CG1 4.18Å; F248-I252 HydrophobicContact CZ-CG1 4.04Å; F248-I252 WeakPolarHBondContact O-CB 3.02Å; F248-I252 WeakPolarHBondContact O-CG1 3.31Å; F248-I252 PolarHBondContact O-N 3.39Å; I252-E254 VanDerWaalsContact C-N 3.34Å; I252-E254 PolarHBondContact O-N 3.26Å; I252-I255 PolarHBondContact O-N 3.37Å; I252-V256 HydrophobicContact CG2-CG2 4.2Å; I252-V256 WeakPolarHBondContact O-CB 3.22Å; I252-V256 VanDerWaalsContact O-CG2 3.25Å; I252-V256 WeakPolarHBondContact O-CG2 3.31Å; I252-V256 PolarHBondContact O-N 3.2Å |
| 253 | P | 90.3 | Very high | 84.5 | Confident | 64 Ų | 64 | 72.2 Ų | 72.2 | 42% | 0.416 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 177.6 | -25.2 | 36.6 | 0 | 0 | 0 | 112.8 | A249 I255 V256 D257 | A249-P253 VanDerWaalsContact O-CD 3.32Å; A249-P253 WeakPolarHBondContact O-CD 3.42Å; A249-P253 WeakPolarHBondContact O-CG 3.23Å; P253-I255 PolarHBondContact O-N 3.14Å; P253-V256 PolarHBondContact O-N 3.36Å; P253-D257 WeakPolarHBondContact O-CB 3.39Å; P253-D257 PolarHBondContact O-N 3.41Å |
| 254 | E | 89.6 | Confident | 84.1 | Confident | 59 Ų | 59 | 71.5 Ų | 71.5 | 28% | 0.276 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 179.2 | -167.5 | 178.7 | 168.1 | 0 | 0 | 111.5 | R165 L169 I252 M258 | R165-E254 IonicContact CZ-OE1 2.69Å; R165-E254 IonicContact NE-OE1 3.43Å; R165-E254 PolarHBondContact NE-OE1 3.17Å; R165-E254 IonicContact NE-OE2 2.65Å; R165-E254 IonicContact NH2-OE1 3.5Å; R165-E254 PolarHBondContact NH2-OE1 3.25Å; R165-E254 IonicContact NH2-OE2 3.64Å; R165-E254 PolarHBondContact NH2-OE2 3.48Å; L169-E254 HydrophobicContact CD1-CB 4.02Å; L169-E254 HydrophobicContact CD1-CG 3.67Å; L169-E254 WeakPolarHBondContact CD1-OE2 3.41Å; I252-E254 VanDerWaalsContact C-N 3.34Å; I252-E254 PolarHBondContact O-N 3.26Å; E254-M258 HydrophobicContact CG-CE 3.64Å; E254-M258 VanDerWaalsContact O-CG 3.28Å; E254-M258 WeakPolarHBondContact O-CG 3.25Å; E254-M258 PolarHBondContact O-N 3.29Å; E254-M258 VanDerWaalsContact O-N 3.11Å; E254-M258 WeakPolarHBondContact OE1-CE 3.16Å |
| 255 | I | 88.8 | Confident | 84 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 10% | 0.103 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 174.1 | -69.5 | 165.4 | 0 | 0 | 0 | 110.6 | L169 A251 I252 P253 M258 F259 | L169-I255 HydrophobicContact CB-CD1 4.09Å; L169-I255 HydrophobicContact CB-CG1 3.99Å; L169-I255 HydrophobicContact CD1-CG1 4.39Å; A251-I255 HydrophobicContact CB-CD1 4.47Å; A251-I255 WeakPolarHBondContact O-CB 3.22Å; A251-I255 WeakPolarHBondContact O-CD1 3.45Å; A251-I255 WeakPolarHBondContact O-CG1 3.29Å; A251-I255 PolarHBondContact O-N 3.5Å; I252-I255 PolarHBondContact O-N 3.37Å; P253-I255 PolarHBondContact O-N 3.14Å; I255-M258 PolarHBondContact O-N 3.49Å; I255-F259 HydrophobicContact CG2-CD2 3.68Å; I255-F259 HydrophobicContact CG2-CE2 3.73Å; I255-F259 VanDerWaalsContact O-CD2 3.31Å; I255-F259 WeakPolarHBondContact O-CD2 3.22Å; I255-F259 PolarHBondContact O-N 3.31Å |
| 256 | V | 87.5 | Confident | 83.5 | Confident | 60 Ų | 60 | 72 Ų | 72 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | -179.4 | 169 | 0 | 0 | 0 | 0 | 111.4 | I252 P253 M258 F259 F260 | I252-V256 HydrophobicContact CG2-CG2 4.2Å; I252-V256 WeakPolarHBondContact O-CB 3.22Å; I252-V256 VanDerWaalsContact O-CG2 3.25Å; I252-V256 WeakPolarHBondContact O-CG2 3.31Å; I252-V256 PolarHBondContact O-N 3.2Å; P253-V256 PolarHBondContact O-N 3.36Å; V256-M258 VanDerWaalsContact C-N 3.34Å; V256-M258 PolarHBondContact O-N 3.33Å; V256-F259 PolarHBondContact O-N 3.24Å; V256-F260 HydrophobicContact CG1-CD2 3.58Å; V256-F260 HydrophobicContact CG1-CE2 3.68Å; V256-F260 WeakPolarHBondContact O-CD2 3.49Å; V256-F260 PolarHBondContact O-N 2.95Å |
| 257 | D | 85.8 | Confident | 83.4 | Confident | 100 Ų | 100 | 70.8 Ų | 70.8 | 54% | 0.535 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 177.2 | -74.1 | -17.3 | 0 | 0 | 0 | 111.6 | P253 F259 F260 N261 | P253-D257 WeakPolarHBondContact O-CB 3.39Å; P253-D257 PolarHBondContact O-N 3.41Å; D257-F259 PolarHBondContact O-N 3.17Å; D257-F260 PolarHBondContact O-N 3.25Å; D257-N261 WeakPolarHBondContact O-CB 3.05Å; D257-N261 PolarHBondContact O-N 3.37Å; D257-N261 PolarHBondContact O-ND2 3.01Å |
| 258 | M | 82.7 | Confident | 83.5 | Confident | 45 Ų | 45 | 74.9 Ų | 74.9 | 22% | 0.222 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.9 | -35.8 | 176.1 | -70.7 | 178.6 | -172.4 | 0 | 0 | 112.8 | R165 M166 E254 I255 V256 | R165-M258 HydrophobicContact CB-CE 4.18Å; R165-M258 HydrophobicContact CG-CE 3.55Å; R165-M258 HydrophobicContact CG-SD 4.29Å; M166-M258 HydrophobicContact CB-SD 3.91Å; E254-M258 HydrophobicContact CG-CE 3.64Å; E254-M258 VanDerWaalsContact O-CG 3.28Å; E254-M258 WeakPolarHBondContact O-CG 3.25Å; E254-M258 PolarHBondContact O-N 3.29Å; E254-M258 VanDerWaalsContact O-N 3.11Å; E254-M258 WeakPolarHBondContact OE1-CE 3.16Å; I255-M258 PolarHBondContact O-N 3.49Å; V256-M258 VanDerWaalsContact C-N 3.34Å; V256-M258 PolarHBondContact O-N 3.33Å |
| 259 | F | 78.7 | Confident | 83.7 | Confident | 129 Ų | 129 | 72.3 Ų | 72.3 | 57% | 0.566 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -70.1 | -40.9 | 175.8 | -92.3 | -74.6 | 0 | 0 | 0 | 112.9 | M166 I255 V256 D257 | M166-F259 HydrophobicContact SD-CD2 4.09Å; M166-F259 HydrophobicContact SD-CE1 4.48Å; M166-F259 HydrophobicContact SD-CE2 3.73Å; M166-F259 HydrophobicContact SD-CZ 3.95Å; I255-F259 HydrophobicContact CG2-CD2 3.68Å; I255-F259 HydrophobicContact CG2-CE2 3.73Å; I255-F259 VanDerWaalsContact O-CD2 3.31Å; I255-F259 WeakPolarHBondContact O-CD2 3.22Å; I255-F259 PolarHBondContact O-N 3.31Å; V256-F259 PolarHBondContact O-N 3.24Å; D257-F259 PolarHBondContact O-N 3.17Å |
| 260 | F | 76.3 | Confident | 83.8 | Confident | 165 Ų | 165 | 77 Ų | 77 | 72% | 0.724 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -84.4 | -11.4 | -178.6 | -73.3 | -60.5 | 0 | 0 | 0 | 114.4 | V256 D257 V262 | V256-F260 HydrophobicContact CG1-CD2 3.58Å; V256-F260 HydrophobicContact CG1-CE2 3.68Å; V256-F260 WeakPolarHBondContact O-CD2 3.49Å; V256-F260 PolarHBondContact O-N 2.95Å; D257-F260 PolarHBondContact O-N 3.25Å; F260-V262 PolarHBondContact O-N 3.45Å |
| 261 | N | 68.4 | Low | 83.7 | Confident | 121 Ų | 121 | 77.4 Ų | 77.4 | 65% | 0.647 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 8.9 | 176.1 | -87.4 | -29.6 | 0 | 0 | 0 | 114.9 | D257 S263 | D257-N261 WeakPolarHBondContact O-CB 3.05Å; D257-N261 PolarHBondContact O-N 3.37Å; D257-N261 PolarHBondContact O-ND2 3.01Å; N261-S263 PolarHBondContact O-N 3.48Å |
| 262 | V | 67.3 | Low | 83.6 | Confident | 122 Ų | 122 | 81.2 Ų | 81.2 | 74% | 0.739 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -55.3 | 113 | 164.5 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | F260 K264 | F260-V262 PolarHBondContact O-N 3.45Å; V262-K264 PolarHBondContact O-N 3.44Å |
| 263 | S | 69.5 | Low | 83.3 | Confident | 48 Ų | 48 | 88.1 Ų | 88.1 | 34% | 0.336 | 46% | 0.455 | S | S | . | . | trans | -63.1 | 104.2 | -178.4 | 38.5 | 0 | 0 | 0 | 0 | 109.3 | N261 Y265 S266 | N261-S263 PolarHBondContact O-N 3.48Å; S263-Y265 PolarHBondContact O-N 3.47Å; S263-S266 WeakPolarHBondContact O-CB 3.46Å; S263-S266 PolarHBondContact O-N 3.36Å; S263-S266 WeakPolarHBondContact OG-CB 3.27Å | ||
| 264 | K | 80.6 | Confident | 82.9 | Confident | 132 Ų | 132 | 88.8 Ų | 88.8 | 57% | 0.574 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | -32.8 | 178.9 | 179.9 | 178.6 | 173.4 | -177.2 | 0 | 114.4 | V262 E321 | V262-K264 PolarHBondContact O-N 3.44Å; K264-E321 VanDerWaalsContact NZ-CD 3.31Å; K264-E321 IonicContact NZ-OE1 2.71Å; K264-E321 PolarHBondContact NZ-OE1 3.02Å; K264-E321 IonicContact NZ-OE2 3.57Å |
| 265 | Y | 86.6 | Confident | 82.7 | Confident | 35 Ų | 35 | 89.6 Ų | 89.6 | 14% | 0.137 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 29.7 | -179.1 | -55.1 | -70.3 | 0 | 0 | 0 | 112.6 | S263 P316 E321 Y333 R335 | S263-Y265 PolarHBondContact O-N 3.47Å; Y265-P316 HydrophobicContact CD2-CG 4.24Å; Y265-P316 HydrophobicContact CE1-CG 4.09Å; Y265-P316 HydrophobicContact CE2-CG 3.5Å; Y265-P316 VanDerWaalsContact CE2-CG 3.5Å; Y265-P316 VanDerWaalsContact CZ-CG 3.4Å; Y265-P316 WeakPolarHBondContact OH-CG 3.43Å; Y265-E321 VanDerWaalsContact OH-CD 3.29Å; Y265-E321 PolarHBondContact OH-OE2 2.97Å; Y265-Y333 AromaticContact CD1-CD1 3.82Å; Y265-Y333 HydrophobicContact CD1-CD1 3.82Å; Y265-Y333 HydrophobicContact CD1-CG 4.41Å; Y265-Y333 HydrophobicContact CE1-CD1 4.4Å; Y265-Y333 AromaticContact CG-CD1 3.89Å; Y265-Y333 HydrophobicContact CG-CD1 3.89Å; Y265-Y333 HydrophobicContact CG-CE1 4.48Å; Y265-R335 PolarHBondContact O-N 3.16Å |
| 266 | S | 80.6 | Confident | 82.9 | Confident | 66 Ų | 66 | 89.4 Ų | 89.4 | 46% | 0.462 | 48% | 0.477 | S | S | . | . | trans | -101.3 | 176 | 169.5 | -170.8 | 0 | 0 | 0 | 0 | 110.7 | S263 | S263-S266 WeakPolarHBondContact O-CB 3.46Å; S263-S266 PolarHBondContact O-N 3.36Å; S263-S266 WeakPolarHBondContact OG-CB 3.27Å | ||
| 267 | G | 86 | Confident | 83.2 | Confident | 34 Ų | 34 | 86.6 Ų | 86.6 | 35% | 0.351 | 46% | 0.46 | S | S | . | . | S | Bend | trans | 106.2 | 177.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F334 R346 | G267-F334 WeakPolarHBondContact O-CD1 3.21Å; G267-F334 VanDerWaalsContact O-CE1 3.25Å; G267-F334 WeakPolarHBondContact O-CE1 3.19Å; G267-R346 WeakPolarHBondContact O-CD 3.37Å; G267-R346 WeakPolarHBondContact O-CG 3.33Å |
| 268 | I | 90.5 | Very high | 83.6 | Confident | 118 Ų | 118 | 81.8 Ų | 81.8 | 61% | 0.605 | 44% | 0.435 | S | S | * | . | trans | -106.9 | 139 | -176 | -60.8 | 163.3 | 0 | 0 | 0 | 109.1 | Q270 R346 | I268-Q270 PolarHBondContact O-N 2.87Å; I268-R346 HydrophobicContact CB-CG 4.42Å; I268-R346 HydrophobicContact CG1-CG 4.06Å | ||
| 269 | Y | 93.1 | Very high | 84.3 | Confident | 6 Ų | 6 | 79.7 Ų | 79.7 | 2% | 0.024 | 42% | 0.424 | C | S | . | . | trans | -66.9 | 121.8 | 173.9 | 179.4 | -111.7 | 0 | 0 | 0 | 110.5 | K271 H277 E307 V309 K332 F334 R346 K348 | Y269-K271 HydrophobicContact CD1-CB 4.49Å; Y269-K271 HydrophobicContact CE1-CB 3.95Å; Y269-H277 HydrophobicContact CE1-CB 3.85Å; Y269-H277 AromaticContact CE1-CD2 3.69Å; Y269-H277 AromaticContact CE1-CE1 3.93Å; Y269-H277 AromaticContact CE1-CG 3.43Å; Y269-H277 VanDerWaalsContact CE1-CG 3.43Å; Y269-H277 AromaticContact CE1-ND1 3.59Å; Y269-H277 AromaticContact CE1-NE2 3.98Å; Y269-E307 PolarHBondContact OH-OE2 3.46Å; Y269-V309 HydrophobicContact CD1-CG2 4.44Å; Y269-V309 HydrophobicContact CD2-CG2 3.81Å; Y269-V309 HydrophobicContact CE1-CG2 4.31Å; Y269-V309 HydrophobicContact CE2-CG2 3.66Å; Y269-V309 HydrophobicContact CG-CG2 4.22Å; Y269-K332 HydrophobicContact CE2-CG 4.38Å; Y269-F334 HydrophobicContact CD2-CE2 4.15Å; Y269-F334 HydrophobicContact CD2-CZ 4.33Å; Y269-F334 HydrophobicContact CG-CE2 4.49Å; Y269-R346 PolarHBondContact N-O 3.28Å; Y269-K348 WeakPolarHBondContact O-CD 3.38Å; Y269-K348 WeakPolarHBondContact O-CE 3.43Å | ||
| 270 | Q | 90.5 | Very high | 85.1 | Confident | 161 Ų | 161 | 73.5 Ų | 73.5 | 75% | 0.752 | 40% | 0.397 | S | S | * | . | trans | -97.6 | 94.6 | 175.4 | -67.5 | -176.9 | 0.8 | 0 | 0 | 109 | I268 L272 | I268-Q270 PolarHBondContact O-N 2.87Å; Q270-L272 PolarHBondContact O-N 2.93Å | ||
| 271 | K | 86.9 | Confident | 86 | Confident | 81 Ų | 81 | 65.7 Ų | 65.7 | 35% | 0.352 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 125.3 | 171 | -174.4 | 173.5 | -176.1 | 170.1 | 0 | 110.3 | Y269 K275 K348 S351 | Y269-K271 HydrophobicContact CD1-CB 4.49Å; Y269-K271 HydrophobicContact CE1-CB 3.95Å; K271-K275 VanDerWaalsContact CE-O 3.23Å; K271-K275 WeakPolarHBondContact CE-O 3.35Å; K271-K348 HydrophobicContact CB-CD 4.22Å; K271-S351 PolarHBondContact NZ-O 3.4Å |
| 272 | L | 85.4 | Confident | 87.1 | Confident | 88 Ų | 88 | 60.2 Ų | 60.2 | 46% | 0.461 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 138.4 | 172.4 | -71.2 | 164.4 | 0 | 0 | 0 | 109.3 | Q270 G274 K275 E307 | Q270-L272 PolarHBondContact O-N 2.93Å; L272-G274 PolarHBondContact O-N 3.36Å; L272-K275 HydrophobicContact CB-CB 4.29Å; L272-K275 HydrophobicContact CB-CD 4.29Å; L272-K275 HydrophobicContact CB-CG 4.35Å; L272-K275 HydrophobicContact CD1-CD 4.03Å; L272-K275 PolarHBondContact O-N 3.11Å; L272-E307 VanDerWaalsContact CD1-OE1 3.29Å; L272-E307 WeakPolarHBondContact CD1-OE1 3.41Å |
| 273 | E | 83.4 | Confident | 88.2 | Confident | 196 Ų | 196 | 57 Ų | 57 | 92% | 0.916 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 132.8 | 175.9 | -68.5 | 175.7 | -171.9 | 0 | 0 | 110.2 | K275 | E273-K275 VanDerWaalsContact C-N 3.29Å; E273-K275 PolarHBondContact O-N 3.23Å |
| 274 | G | 82.9 | Confident | 89.1 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 81% | 0.814 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -11.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116 | L272 | L272-G274 PolarHBondContact O-N 3.36Š|
| 275 | K | 86.2 | Confident | 89.3 | Confident | 75 Ų | 75 | 51 Ų | 51 | 33% | 0.326 | 29% | 0.285 | S | S | . | . | trans | -99.9 | 137.4 | 173.5 | -66.4 | -164.6 | -173.4 | -178.2 | 0 | 111.8 | K271 L272 E273 D305 E307 | K271-K275 VanDerWaalsContact CE-O 3.23Å; K271-K275 WeakPolarHBondContact CE-O 3.35Å; L272-K275 HydrophobicContact CB-CB 4.29Å; L272-K275 HydrophobicContact CB-CD 4.29Å; L272-K275 HydrophobicContact CB-CG 4.35Å; L272-K275 HydrophobicContact CD1-CD 4.03Å; L272-K275 PolarHBondContact O-N 3.11Å; E273-K275 VanDerWaalsContact C-N 3.29Å; E273-K275 PolarHBondContact O-N 3.23Å; K275-D305 WeakPolarHBondContact CB-O 3.5Å; K275-E307 HydrophobicContact CD-CG 4.06Å; K275-E307 WeakPolarHBondContact CD-OE1 3.37Å; K275-E307 IonicContact NZ-OE1 3.7Å; K275-E307 PolarHBondContact NZ-OE1 3.16Å | ||
| 276 | S | 91.4 | Very high | 89.3 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 12% | 0.119 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 161.2 | 165.8 | 63.9 | 0 | 0 | 0 | 0 | 110.5 | R303 D305 V306 E307 | S276-R303 PolarHBondContact OG-NH2 3.35Å; S276-D305 PolarHBondContact N-O 3.09Å; S276-V306 WeakPolarHBondContact O-CA 3.4Å; S276-E307 PolarHBondContact O-N 3.03Å |
| 277 | H | 94.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.6 | 174.7 | 67.3 | -76.7 | 0 | 0 | 0 | 110.3 | Y269 E307 V309 V347 K348 S351 D353 | Y269-H277 HydrophobicContact CE1-CB 3.85Å; Y269-H277 AromaticContact CE1-CD2 3.69Å; Y269-H277 AromaticContact CE1-CE1 3.93Å; Y269-H277 AromaticContact CE1-CG 3.43Å; Y269-H277 VanDerWaalsContact CE1-CG 3.43Å; Y269-H277 AromaticContact CE1-ND1 3.59Å; Y269-H277 AromaticContact CE1-NE2 3.98Å; H277-E307 CarbonylContact C-O 3.6Å; H277-E307 VanDerWaalsContact CA-O 3.25Å; H277-E307 WeakPolarHBondContact CA-O 3.35Å; H277-E307 HydrophobicContact CB-CB 4.32Å; H277-V309 HydrophobicContact CB-CG2 4.28Å; H277-V347 PolarHBondContact NE2-O 3.34Å; H277-K348 PolarHBondContact CE1-O 3.46Å; H277-K348 PolarHBondContact NE2-O 2.84Å; H277-S351 PolarHBondContact CE1-O 3.16Å; H277-D353 PolarHBondContact O-N 2.92Å |
| 278 | I | 95.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 149.2 | 170 | 60.6 | 155.6 | 0 | 0 | 0 | 109.6 | V280 F292 F296 V306 E307 V308 V309 D353 A354 L356 Y1087 | I278-V280 HydrophobicContact CD1-CG2 3.91Å; I278-V280 HydrophobicContact CG1-CG2 4.49Å; I278-F292 HydrophobicContact CD1-CZ 4.01Å; I278-F296 HydrophobicContact CD1-CD2 4.27Å; I278-F296 HydrophobicContact CD1-CE1 3.85Å; I278-F296 HydrophobicContact CD1-CE2 3.48Å; I278-F296 VanDerWaalsContact CD1-CE2 3.48Å; I278-F296 HydrophobicContact CD1-CZ 3.25Å; I278-F296 HydrophobicContact CG1-CE1 4.39Å; I278-F296 HydrophobicContact CG1-CZ 3.92Å; I278-V306 HydrophobicContact CB-CG1 4.48Å; I278-V306 HydrophobicContact CG1-CG1 4.19Å; I278-V306 HydrophobicContact CG2-CG1 3.77Å; I278-E307 PolarHBondContact N-O 3.39Å; I278-V308 HydrophobicContact CD1-CG1 4.26Å; I278-V308 HydrophobicContact CD1-CG2 4.11Å; I278-V308 HydrophobicContact CG1-CB 4.39Å; I278-V308 HydrophobicContact CG1-CG1 4.36Å; I278-V308 HydrophobicContact CG1-CG2 4.14Å; I278-V309 PolarHBondContact O-N 2.97Å; I278-D353 HydrophobicContact CG2-CB 4.45Å; I278-A354 WeakPolarHBondContact CA-O 3.31Å; I278-A354 HydrophobicContact CG2-CB 4.39Å; I278-L356 HydrophobicContact CB-CD1 4.15Å; I278-L356 HydrophobicContact CD1-CD1 3.86Å; I278-L356 HydrophobicContact CD1-CD2 4.49Å; I278-L356 HydrophobicContact CG2-CD1 4.47Å; I278-Y1087 HydrophobicContact CG2-CD2 4.21Å; I278-Y1087 HydrophobicContact CG2-CE1 4.37Å; I278-Y1087 HydrophobicContact CG2-CE2 3.46Å; I278-Y1087 VanDerWaalsContact CG2-CE2 3.46Å |
| 279 | I | 96.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.7 | 176.1 | -65 | 162.2 | 0 | 0 | 0 | 108.4 | V309 I311 V347 M349 A352 A354 C355 L356 | I279-V309 CarbonylContact C-O 3.53Å; I279-V309 WeakPolarHBondContact CA-O 3.41Å; I279-V309 HydrophobicContact CG1-CB 4.45Å; I279-I311 HydrophobicContact CG2-CG2 3.78Å; I279-V347 HydrophobicContact CD1-CB 4.16Å; I279-V347 HydrophobicContact CD1-CG2 3.63Å; I279-V347 HydrophobicContact CG1-CB 4.49Å; I279-V347 HydrophobicContact CG1-CG2 4.33Å; I279-M349 HydrophobicContact CB-CE 4.08Å; I279-M349 HydrophobicContact CB-SD 4.46Å; I279-M349 HydrophobicContact CD1-CB 4Å; I279-M349 HydrophobicContact CD1-CE 3.6Å; I279-M349 HydrophobicContact CD1-CG 4.35Å; I279-M349 HydrophobicContact CD1-SD 3.45Å; I279-M349 WeakPolarHBondContact CD1-SD 3.42Å; I279-M349 HydrophobicContact CG1-CE 4.44Å; I279-M349 HydrophobicContact CG2-CE 3.73Å; I279-A352 HydrophobicContact CD1-CB 3.64Å; I279-A352 HydrophobicContact CG1-CB 4.14Å; I279-A354 PolarHBondContact N-O 2.76Å; I279-C355 CarbonylContact O-C 3.57Å; I279-C355 WeakPolarHBondContact O-CA 3.32Å; I279-L356 PolarHBondContact O-N 2.8Å |
| 280 | V | 95.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.2 | 178.5 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | I278 F292 V308 V309 F310 I311 L356 L358 | I278-V280 HydrophobicContact CD1-CG2 3.91Å; I278-V280 HydrophobicContact CG1-CG2 4.49Å; V280-F292 HydrophobicContact CG2-CE1 3.99Å; V280-F292 HydrophobicContact CG2-CZ 4.08Å; V280-V308 HydrophobicContact CG2-CG1 3.69Å; V280-V309 PolarHBondContact N-O 3.01Å; V280-F310 HydrophobicContact CB-CD1 3.66Å; V280-F310 HydrophobicContact CB-CE1 3.65Å; V280-F310 HydrophobicContact CB-CG 4.45Å; V280-F310 HydrophobicContact CB-CZ 4.42Å; V280-F310 HydrophobicContact CG1-CD1 3.82Å; V280-F310 HydrophobicContact CG1-CE1 3.5Å; V280-F310 VanDerWaalsContact CG1-CE1 3.5Å; V280-F310 HydrophobicContact CG1-CZ 4.46Å; V280-F310 HydrophobicContact CG2-CE1 4.27Å; V280-F310 WeakPolarHBondContact O-CA 3.42Å; V280-I311 PolarHBondContact O-N 2.79Å; V280-L356 WeakPolarHBondContact CA-O 3.44Å; V280-L356 HydrophobicContact CG2-CB 4.32Å; V280-L358 HydrophobicContact CG1-CD1 3.58Å; V280-L358 HydrophobicContact CG1-CG 3.81Å |
| 281 | C | 95.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | -175.1 | 180 | 73.1 | 0 | 0 | 0 | 0 | 110.8 | I311 V338 L356 L358 | C281-I311 HydrophobicContact CB-CG2 3.57Å; C281-V338 HydrophobicContact CB-CG2 3.52Å; C281-L356 PolarHBondContact N-O 3.35Å; C281-L358 PolarHBondContact O-N 2.93Å |
| 282 | G | 91.6 | Very high | 88.4 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.5 | -142 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | I284 L358 | G282-I284 PolarHBondContact O-N 3.35Å; G282-L358 WeakPolarHBondContact CA-O 3.26Å |
| 283 | D | 88.9 | Confident | 88.5 | Confident | 55 Ų | 55 | 36.5 Ų | 36.5 | 29% | 0.294 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -88.3 | 90.4 | 178.4 | -165.1 | 14.9 | 0 | 0 | 0 | 111.7 | T285 S288 L358 S360 | D283-T285 PolarHBondContact O-N 3.28Å; D283-S288 PolarHBondContact O-OG 3.33Å; D283-L358 PolarHBondContact N-O 3.11Å; D283-S360 WeakPolarHBondContact OD2-CB 3.46Å |
| 284 | I | 89.7 | Confident | 88.6 | Confident | 14 Ų | 14 | 31.9 Ų | 31.9 | 7% | 0.072 | 18% | 0.183 | C | C | . | . | trans | -88.2 | 99.4 | -175.3 | -62.3 | 168.2 | 0 | 0 | 0 | 108.9 | G282 V289 F310 I311 N312 L320 Y333 | G282-I284 PolarHBondContact O-N 3.35Å; I284-V289 HydrophobicContact CG2-CG2 3.47Å; I284-V289 VanDerWaalsContact CG2-CG2 3.47Å; I284-F310 HydrophobicContact CD1-CB 4.38Å; I284-F310 HydrophobicContact CD1-CD1 3.9Å; I284-F310 HydrophobicContact CG1-CD1 4.3Å; I284-F310 HydrophobicContact CG2-CD1 4.26Å; I284-I311 WeakPolarHBondContact CD1-O 3.3Å; I284-N312 HydrophobicContact CD1-CB 3.75Å; I284-L320 HydrophobicContact CG2-CD2 4Å; I284-Y333 HydrophobicContact CG2-CE2 4.47Å | ||
| 285 | T | 85.4 | Confident | 88.6 | Confident | 41 Ų | 41 | 28.6 Ų | 28.6 | 25% | 0.252 | 15% | 0.147 | S | C | . | . | trans | -109.8 | 158.5 | 174.4 | 74.6 | 0 | 0 | 0 | 0 | 111.1 | D283 N287 S288 V289 | D283-T285 PolarHBondContact O-N 3.28Å; T285-N287 VanDerWaalsContact C-N 3.26Å; T285-N287 PolarHBondContact O-N 3.33Å; T285-S288 PolarHBondContact N-OG 3.3Å; T285-S288 PolarHBondContact O-N 3.36Å; T285-S288 PolarHBondContact O-OG 3.26Å; T285-S288 PolarHBondContact OG1-N 3.38Å; T285-S288 PolarHBondContact OG1-OG 3.25Å; T285-V289 WeakPolarHBondContact O-CB 3.26Å; T285-V289 VanDerWaalsContact O-CG2 3.22Å; T285-V289 WeakPolarHBondContact O-CG2 3.48Å; T285-V289 PolarHBondContact O-N 3.1Å | ||
| 286 | T | 86.5 | Confident | 88.6 | Confident | 11 Ų | 11 | 25.1 Ų | 25.1 | 7% | 0.067 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.5 | -36.5 | 179.5 | -58.9 | 0 | 0 | 0 | 0 | 112.8 | R290 D317 Q319 | T286-R290 VanDerWaalsContact O-CB 3.27Å; T286-R290 WeakPolarHBondContact O-CB 3.44Å; T286-R290 PolarHBondContact O-N 3.28Å; T286-R290 VanDerWaalsContact O-N 3.08Å; T286-D317 PolarHBondContact OG1-OD1 3.24Å; T286-D317 VanDerWaalsContact OG1-OD1 3.06Å; T286-D317 PolarHBondContact OG1-OD2 3.35Å; T286-Q319 HydrophobicContact CG2-CB 3.75Å |
| 287 | N | 81.4 | Confident | 88.4 | Confident | 110 Ų | 110 | 25.1 Ų | 25.1 | 59% | 0.588 | 13% | 0.13 | S | C | * | . | H | α-helix | trans | -74.2 | -48.5 | -180 | -69.1 | -21.1 | 0 | 0 | 0 | 111.5 | T285 V289 R290 T291 | T285-N287 VanDerWaalsContact C-N 3.26Å; T285-N287 PolarHBondContact O-N 3.33Å; N287-V289 VanDerWaalsContact C-N 3.34Å; N287-V289 PolarHBondContact O-N 3.05Å; N287-R290 PolarHBondContact O-N 3.32Å; N287-R290 VanDerWaalsContact O-N 3.15Å; N287-T291 PolarHBondContact O-N 2.65Å; N287-T291 PolarHBondContact O-OG1 3.09Å |
| 288 | S | 82.3 | Confident | 87.8 | Confident | 7 Ų | 7 | 26.7 Ų | 26.7 | 5% | 0.049 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 179.1 | 60 | 0 | 0 | 0 | 0 | 111.6 | D283 T285 R290 T291 F292 | D283-S288 PolarHBondContact O-OG 3.33Å; T285-S288 PolarHBondContact N-OG 3.3Å; T285-S288 PolarHBondContact O-N 3.36Å; T285-S288 PolarHBondContact O-OG 3.26Å; T285-S288 PolarHBondContact OG1-N 3.38Å; T285-S288 PolarHBondContact OG1-OG 3.25Å; S288-R290 PolarHBondContact O-N 2.75Å; S288-T291 PolarHBondContact O-N 3.1Å; S288-F292 WeakPolarHBondContact O-CB 3.35Å; S288-F292 PolarHBondContact O-N 3.12Å |
| 289 | V | 87.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -37.2 | 175.8 | 178 | 0 | 0 | 0 | 0 | 111.9 | I284 T285 N287 L293 F310 L320 L323 | I284-V289 HydrophobicContact CG2-CG2 3.47Å; I284-V289 VanDerWaalsContact CG2-CG2 3.47Å; T285-V289 WeakPolarHBondContact O-CB 3.26Å; T285-V289 VanDerWaalsContact O-CG2 3.22Å; T285-V289 WeakPolarHBondContact O-CG2 3.48Å; T285-V289 PolarHBondContact O-N 3.1Å; N287-V289 VanDerWaalsContact C-N 3.34Å; N287-V289 PolarHBondContact O-N 3.05Å; V289-L293 HydrophobicContact CG1-CD1 3.85Å; V289-L293 HydrophobicContact CG1-CG 3.95Å; V289-L293 VanDerWaalsContact O-CB 3.31Å; V289-L293 WeakPolarHBondContact O-CB 3.4Å; V289-L293 VanDerWaalsContact O-CG 3.29Å; V289-L293 WeakPolarHBondContact O-CG 3.2Å; V289-L293 PolarHBondContact O-N 3.12Å; V289-F310 HydrophobicContact CG1-CE1 4.23Å; V289-F310 HydrophobicContact CG1-CE2 4.17Å; V289-F310 HydrophobicContact CG1-CZ 3.69Å; V289-F310 HydrophobicContact CG2-CE1 3.92Å; V289-F310 HydrophobicContact CG2-CZ 4.23Å; V289-L320 HydrophobicContact CB-CD1 3.94Å; V289-L320 HydrophobicContact CG1-CD1 3.78Å; V289-L320 HydrophobicContact CG2-CD1 4.07Å; V289-L323 HydrophobicContact CG1-CD2 3.72Å |
| 290 | R | 87.2 | Confident | 85.6 | Confident | 116 Ų | 116 | 37.9 Ų | 37.9 | 44% | 0.438 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.9 | -50.7 | 177.1 | -179 | 180 | -67.6 | 167.4 | 1.2 | 111.3 | T286 N287 S288 F292 L293 N294 L323 | T286-R290 VanDerWaalsContact O-CB 3.27Å; T286-R290 WeakPolarHBondContact O-CB 3.44Å; T286-R290 PolarHBondContact O-N 3.28Å; T286-R290 VanDerWaalsContact O-N 3.08Å; N287-R290 PolarHBondContact O-N 3.32Å; N287-R290 VanDerWaalsContact O-N 3.15Å; S288-R290 PolarHBondContact O-N 2.75Å; R290-F292 VanDerWaalsContact C-N 3.34Å; R290-L293 PolarHBondContact O-N 3.03Å; R290-N294 VanDerWaalsContact O-CB 3.32Å; R290-N294 WeakPolarHBondContact O-CB 3.43Å; R290-N294 PolarHBondContact O-N 3.05Å; R290-N294 PolarHBondContact O-ND2 2.87Å; R290-L323 HydrophobicContact CB-CD1 3.66Å; R290-L323 HydrophobicContact CG-CD1 4.04Å |
| 291 | T | 82.7 | Confident | 84.7 | Confident | 37 Ų | 37 | 39.5 Ų | 39.5 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.6 | -46.6 | 178.7 | -55.4 | 0 | 0 | 0 | 0 | 110.4 | N287 S288 D295 D1080 V1081 | N287-T291 PolarHBondContact O-N 2.65Å; N287-T291 PolarHBondContact O-OG1 3.09Å; S288-T291 PolarHBondContact O-N 3.1Å; T291-D295 PolarHBondContact O-N 3.44Å; T291-D1080 HydrophobicContact CG2-CB 4.1Å; T291-V1081 HydrophobicContact CG2-CG2 3.85Å |
| 292 | F | 86.8 | Confident | 83.5 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -49.4 | 177 | 175.1 | -102.4 | 0 | 0 | 0 | 112.9 | I278 V280 S288 R290 D295 F296 V308 F310 L356 | I278-F292 HydrophobicContact CD1-CZ 4.01Å; V280-F292 HydrophobicContact CG2-CE1 3.99Å; V280-F292 HydrophobicContact CG2-CZ 4.08Å; S288-F292 WeakPolarHBondContact O-CB 3.35Å; S288-F292 PolarHBondContact O-N 3.12Å; R290-F292 VanDerWaalsContact C-N 3.34Å; F292-D295 PolarHBondContact O-N 3.17Å; F292-F296 HydrophobicContact CE1-CB 4.17Å; F292-F296 HydrophobicContact CE1-CD2 4.4Å; F292-F296 HydrophobicContact CE1-CG 4.17Å; F292-F296 HydrophobicContact CE2-CB 4.17Å; F292-F296 AromaticContact CE2-CD2 3.81Å; F292-F296 HydrophobicContact CE2-CD2 3.81Å; F292-F296 HydrophobicContact CE2-CG 4.22Å; F292-F296 HydrophobicContact CZ-CB 3.98Å; F292-F296 HydrophobicContact CZ-CD1 4.48Å; F292-F296 AromaticContact CZ-CD2 3.54Å; F292-F296 HydrophobicContact CZ-CD2 3.54Å; F292-F296 HydrophobicContact CZ-CE2 4.15Å; F292-F296 AromaticContact CZ-CG 3.74Å; F292-F296 HydrophobicContact CZ-CG 3.74Å; F292-F296 WeakPolarHBondContact O-CB 3.09Å; F292-F296 PolarHBondContact O-N 3.02Å; F292-V308 HydrophobicContact CE1-CG1 4.1Å; F292-F310 HydrophobicContact CD1-CZ 4.2Å; F292-F310 HydrophobicContact CE1-CZ 4.35Å; F292-L356 HydrophobicContact CE2-CD2 3.59Å; F292-L356 HydrophobicContact CZ-CD2 3.84Å |
| 293 | L | 88.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.6 | -34.8 | -177.6 | -71.2 | -171.4 | 0 | 0 | 0 | 113.2 | V289 R290 D295 L297 V308 F310 L323 V331 | V289-L293 HydrophobicContact CG1-CD1 3.85Å; V289-L293 HydrophobicContact CG1-CG 3.95Å; V289-L293 VanDerWaalsContact O-CB 3.31Å; V289-L293 WeakPolarHBondContact O-CB 3.4Å; V289-L293 VanDerWaalsContact O-CG 3.29Å; V289-L293 WeakPolarHBondContact O-CG 3.2Å; V289-L293 PolarHBondContact O-N 3.12Å; R290-L293 PolarHBondContact O-N 3.03Å; L293-D295 PolarHBondContact O-N 3.41Å; L293-L297 HydrophobicContact CB-CD1 4.37Å; L293-L297 HydrophobicContact CD2-CD1 3.9Å; L293-L297 HydrophobicContact CD2-CG 4.2Å; L293-L297 VanDerWaalsContact O-CB 3.29Å; L293-L297 WeakPolarHBondContact O-CB 3.18Å; L293-L297 PolarHBondContact O-N 3.46Å; L293-V308 HydrophobicContact CD2-CG1 4.38Å; L293-V308 HydrophobicContact CD2-CG2 4.4Å; L293-F310 HydrophobicContact CD1-CE2 4.49Å; L293-F310 HydrophobicContact CD2-CE2 4.15Å; L293-F310 HydrophobicContact CD2-CZ 4.13Å; L293-F310 HydrophobicContact CG-CZ 4.43Å; L293-L323 HydrophobicContact CD1-CD2 3.56Å; L293-V331 HydrophobicContact CD1-CG2 3.99Å; L293-V331 HydrophobicContact CD2-CG2 4.02Å |
| 294 | N | 83.9 | Confident | 81.9 | Confident | 99 Ų | 99 | 51 Ų | 51 | 53% | 0.529 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.4 | -38.2 | 176.6 | -76.9 | -9.9 | 0 | 0 | 0 | 111.4 | R290 | R290-N294 VanDerWaalsContact O-CB 3.32Å; R290-N294 WeakPolarHBondContact O-CB 3.43Å; R290-N294 PolarHBondContact O-N 3.05Å; R290-N294 PolarHBondContact O-ND2 2.87Å |
| 295 | D | 83.3 | Confident | 81.6 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -84.2 | -46.6 | 178.3 | -171.3 | 83.7 | 0 | 0 | 0 | 112.1 | T291 F292 L293 L297 H298 R301 M446 V1081 S1084 | T291-D295 PolarHBondContact O-N 3.44Å; F292-D295 PolarHBondContact O-N 3.17Å; L293-D295 PolarHBondContact O-N 3.41Å; D295-L297 PolarHBondContact O-N 3.31Å; D295-H298 VanDerWaalsContact O-CB 3.31Å; D295-H298 WeakPolarHBondContact O-CB 3.21Å; D295-H298 PolarHBondContact O-N 2.97Å; D295-R301 WeakPolarHBondContact O-CD 3.42Å; D295-R301 PolarHBondContact O-NE 3.36Å; D295-R301 IonicContact OD1-NH2 2.73Å; D295-R301 IonicContact OD2-CZ 3.38Å; D295-R301 IonicContact OD2-NE 3.74Å; D295-R301 IonicContact OD2-NH2 3.85Å; D295-R301 PolarHBondContact OD2-NH2 3.23Å; D295-M446 VanDerWaalsContact OD1-CB 3.29Å; D295-M446 WeakPolarHBondContact OD1-CB 3.33Å; D295-M446 WeakPolarHBondContact OD1-CG 3.29Å; D295-M446 PolarHBondContact OD1-N 3.27Å; D295-M446 VanDerWaalsContact OD1-N 3.1Å; D295-V1081 HydrophobicContact CB-CG1 4.16Å; D295-V1081 VanDerWaalsContact CG-CG1 3.46Å; D295-V1081 WeakPolarHBondContact OD1-CG1 3.45Å; D295-S1084 WeakPolarHBondContact OD2-CB 3.08Å; D295-S1084 PolarHBondContact OD2-OG 3.22Å |
| 296 | F | 87.3 | Confident | 81.8 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.009 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.2 | -35.2 | -177 | -169.5 | -85.7 | 0 | 0 | 0 | 113.6 | I278 F292 R301 V306 V308 Y1087 F1088 | I278-F296 HydrophobicContact CD1-CD2 4.27Å; I278-F296 HydrophobicContact CD1-CE1 3.85Å; I278-F296 HydrophobicContact CD1-CE2 3.48Å; I278-F296 VanDerWaalsContact CD1-CE2 3.48Å; I278-F296 HydrophobicContact CD1-CZ 3.25Å; I278-F296 HydrophobicContact CG1-CE1 4.39Å; I278-F296 HydrophobicContact CG1-CZ 3.92Å; F292-F296 HydrophobicContact CE1-CB 4.17Å; F292-F296 HydrophobicContact CE1-CD2 4.4Å; F292-F296 HydrophobicContact CE1-CG 4.17Å; F292-F296 HydrophobicContact CE2-CB 4.17Å; F292-F296 AromaticContact CE2-CD2 3.81Å; F292-F296 HydrophobicContact CE2-CD2 3.81Å; F292-F296 HydrophobicContact CE2-CG 4.22Å; F292-F296 HydrophobicContact CZ-CB 3.98Å; F292-F296 HydrophobicContact CZ-CD1 4.48Å; F292-F296 AromaticContact CZ-CD2 3.54Å; F292-F296 HydrophobicContact CZ-CD2 3.54Å; F292-F296 HydrophobicContact CZ-CE2 4.15Å; F292-F296 AromaticContact CZ-CG 3.74Å; F292-F296 HydrophobicContact CZ-CG 3.74Å; F292-F296 WeakPolarHBondContact O-CB 3.09Å; F292-F296 PolarHBondContact O-N 3.02Å; F296-R301 WeakPolarHBondContact O-CD 3.36Å; F296-V306 HydrophobicContact CE1-CG1 4.31Å; F296-V306 HydrophobicContact CZ-CG1 4.07Å; F296-V308 HydrophobicContact CD1-CG2 3.65Å; F296-V308 HydrophobicContact CE1-CG2 3.5Å; F296-V308 VanDerWaalsContact CE1-CG2 3.5Å; F296-V308 HydrophobicContact CZ-CG2 4.41Å; F296-Y1087 HydrophobicContact CD2-CD1 4.41Å; F296-Y1087 AromaticContact CE2-CD1 3.37Å; F296-Y1087 HydrophobicContact CE2-CD1 3.37Å; F296-Y1087 AromaticContact CE2-CE1 3.73Å; F296-Y1087 HydrophobicContact CE2-CE1 3.73Å; F296-Y1087 HydrophobicContact CE2-CG 4Å; F296-Y1087 AromaticContact CZ-CD1 3.87Å; F296-Y1087 HydrophobicContact CZ-CD1 3.87Å; F296-Y1087 AromaticContact CZ-CE1 3.7Å; F296-Y1087 HydrophobicContact CZ-CE1 3.7Å; F296-F1088 AromaticContact CD2-CE2 3.61Å; F296-F1088 HydrophobicContact CD2-CE2 3.61Å; F296-F1088 HydrophobicContact CD2-CZ 4.13Å; F296-F1088 HydrophobicContact CE1-CZ 4.31Å; F296-F1088 AromaticContact CE2-CE2 3.68Å; F296-F1088 HydrophobicContact CE2-CE2 3.68Å; F296-F1088 AromaticContact CE2-CZ 3.87Å; F296-F1088 HydrophobicContact CE2-CZ 3.87Å; F296-F1088 HydrophobicContact CG-CE2 4.13Å; F296-F1088 HydrophobicContact CG-CZ 4.46Å; F296-F1088 HydrophobicContact CZ-CE2 4.23Å; F296-F1088 AromaticContact CZ-CZ 3.94Å; F296-F1088 HydrophobicContact CZ-CZ 3.94Å |
| 297 | L | 85.8 | Confident | 82.1 | Confident | 17 Ų | 17 | 51.4 Ų | 51.4 | 9% | 0.089 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 14.2 | -179.8 | -55.9 | 178.9 | 0 | 0 | 0 | 113 | L293 D295 V308 H327 R330 V331 | L293-L297 HydrophobicContact CB-CD1 4.37Å; L293-L297 HydrophobicContact CD2-CD1 3.9Å; L293-L297 HydrophobicContact CD2-CG 4.2Å; L293-L297 VanDerWaalsContact O-CB 3.29Å; L293-L297 WeakPolarHBondContact O-CB 3.18Å; L293-L297 PolarHBondContact O-N 3.46Å; D295-L297 PolarHBondContact O-N 3.31Å; L297-V308 HydrophobicContact CD2-CG2 4.16Å; L297-H327 HydrophobicContact CD1-CB 4.3Å; L297-R330 HydrophobicContact CD2-CB 4.48Å; L297-R330 PolarHBondContact O-NH1 2.91Å; L297-V331 HydrophobicContact CD1-CG2 3.84Å |
| 298 | H | 82 | Confident | 82.7 | Confident | 33 Ų | 33 | 46.1 Ų | 46.1 | 15% | 0.153 | 22% | 0.22 | C | C | . | . | trans | -57.6 | 147.1 | -177.8 | -162.6 | -99.5 | 0 | 0 | 0 | 112.6 | D295 D300 R301 M446 S448 | D295-H298 VanDerWaalsContact O-CB 3.31Å; D295-H298 WeakPolarHBondContact O-CB 3.21Å; D295-H298 PolarHBondContact O-N 2.97Å; H298-D300 VanDerWaalsContact C-N 3.29Å; H298-D300 IonicContact CE1-OD2 3.51Å; H298-D300 PolarHBondContact CE1-OD2 3.48Å; H298-D300 PolarHBondContact ND1-N 3.29Å; H298-D300 IonicContact ND1-OD2 2.6Å; H298-D300 PolarHBondContact O-N 3.42Å; H298-R301 HydrophobicContact CB-CG 4.35Å; H298-R301 PolarHBondContact O-N 3.28Å; H298-M446 HydrophobicContact CB-CB 4.24Å; H298-M446 HydrophobicContact CB-CG 4.49Å; H298-S448 PolarHBondContact CE1-N 2.96Å; H298-S448 PolarHBondContact NE2-N 3.01Å | ||
| 299 | E | 75 | Confident | 83.3 | Confident | 159 Ų | 159 | 45.8 Ų | 45.8 | 74% | 0.743 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -32.5 | -175.3 | -63.7 | -176.2 | 169.6 | 0 | 0 | 112.7 | R301 | E299-R301 PolarHBondContact O-N 3.3Š|
| 300 | D | 71.7 | Confident | 83.7 | Confident | 76 Ų | 76 | 45.9 Ų | 45.9 | 41% | 0.406 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -8.1 | -178.2 | -61.8 | -32.9 | 0 | 0 | 0 | 113.2 | H298 R302 | H298-D300 VanDerWaalsContact C-N 3.29Å; H298-D300 IonicContact CE1-OD2 3.51Å; H298-D300 PolarHBondContact CE1-OD2 3.48Å; H298-D300 PolarHBondContact ND1-N 3.29Å; H298-D300 IonicContact ND1-OD2 2.6Å; H298-D300 PolarHBondContact O-N 3.42Å; D300-R302 PolarHBondContact O-N 3.34Å |
| 301 | R | 76.7 | Confident | 84.1 | Confident | 35 Ų | 35 | 40.5 Ų | 40.5 | 13% | 0.132 | 20% | 0.198 | C | C | . | . | trans | -78.6 | 115.1 | 174.5 | -66.2 | -166.8 | 178.5 | -76.3 | -1.2 | 110.5 | D295 F296 H298 E299 R303 | D295-R301 WeakPolarHBondContact O-CD 3.42Å; D295-R301 PolarHBondContact O-NE 3.36Å; D295-R301 IonicContact OD1-NH2 2.73Å; D295-R301 IonicContact OD2-CZ 3.38Å; D295-R301 IonicContact OD2-NE 3.74Å; D295-R301 IonicContact OD2-NH2 3.85Å; D295-R301 PolarHBondContact OD2-NH2 3.23Å; F296-R301 WeakPolarHBondContact O-CD 3.36Å; H298-R301 HydrophobicContact CB-CG 4.35Å; H298-R301 PolarHBondContact O-N 3.28Å; E299-R301 PolarHBondContact O-N 3.3Å; R301-R303 VanDerWaalsContact C-N 3.34Å; R301-R303 PolarHBondContact O-N 3.41Å | ||
| 302 | R | 69.7 | Low | 84.6 | Confident | 115 Ų | 115 | 39.9 Ų | 39.9 | 43% | 0.434 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -58.5 | -40.2 | 178.8 | -71.6 | -173.5 | 174.8 | 177.2 | 2.1 | 113.9 | D300 S304 E710 N713 | D300-R302 PolarHBondContact O-N 3.34Å; R302-S304 PolarHBondContact O-N 3.46Å; R302-E710 VanDerWaalsContact NH2-CA 3.29Å; R302-N713 PolarHBondContact NH1-ND2 2.78Å; R302-N713 PolarHBondContact NH2-ND2 3.14Å |
| 303 | R | 76.6 | Confident | 84.9 | Confident | 108 Ų | 108 | 47.1 Ų | 47.1 | 41% | 0.408 | 22% | 0.221 | S | C | . | . | trans | -82.9 | 81.6 | -174.5 | -164.2 | 178.3 | -178.2 | 179.2 | -8.5 | 110.6 | S276 R301 D305 V306 D353 F1088 | S276-R303 PolarHBondContact OG-NH2 3.35Å; R301-R303 VanDerWaalsContact C-N 3.34Å; R301-R303 PolarHBondContact O-N 3.41Å; R303-D305 WeakPolarHBondContact CG-OD1 3.46Å; R303-D305 IonicContact NE-OD1 2.68Å; R303-V306 HydrophobicContact CG-CG2 3.95Å; R303-D353 IonicContact CZ-OD2 3.87Å; R303-D353 IonicContact NH1-OD2 3.27Å; R303-D353 IonicContact NH2-OD2 2.67Å; R303-D353 PolarHBondContact NH2-OD2 3.2Å; R303-F1088 HydrophobicContact CB-CE1 4.11Å | ||
| 304 | S | 71 | Confident | 85 | Confident | 79 Ų | 79 | 50.1 Ų | 50.1 | 55% | 0.552 | 24% | 0.242 | S | C | * | . | trans | -94.1 | -5.6 | -176.9 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | R302 V306 | R302-S304 PolarHBondContact O-N 3.46Å; S304-V306 PolarHBondContact O-N 3.48Å | ||
| 305 | D | 82.4 | Confident | 85.3 | Confident | 66 Ų | 66 | 51.6 Ų | 51.6 | 35% | 0.353 | 24% | 0.243 | S | C | . | . | trans | -76.8 | 0.3 | -179.5 | 62 | -46.6 | 0 | 0 | 0 | 114.4 | K275 S276 R303 | K275-D305 WeakPolarHBondContact CB-O 3.5Å; S276-D305 PolarHBondContact N-O 3.09Å; R303-D305 WeakPolarHBondContact CG-OD1 3.46Å; R303-D305 IonicContact NE-OD1 2.68Å | ||
| 306 | V | 89.5 | Confident | 85.7 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 127.1 | 179.4 | -168.5 | 0 | 0 | 0 | 0 | 111.4 | S276 I278 F296 R303 S304 | S276-V306 WeakPolarHBondContact O-CA 3.4Å; I278-V306 HydrophobicContact CB-CG1 4.48Å; I278-V306 HydrophobicContact CG1-CG1 4.19Å; I278-V306 HydrophobicContact CG2-CG1 3.77Å; F296-V306 HydrophobicContact CE1-CG1 4.31Å; F296-V306 HydrophobicContact CZ-CG1 4.07Å; R303-V306 HydrophobicContact CG-CG2 3.95Å; S304-V306 PolarHBondContact O-N 3.48Å |
| 307 | E | 92.8 | Very high | 85.9 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 145.1 | 170 | -65.5 | -172.5 | 170.3 | 0 | 0 | 111.9 | Y269 L272 K275 S276 H277 I278 R330 | Y269-E307 PolarHBondContact OH-OE2 3.46Å; L272-E307 VanDerWaalsContact CD1-OE1 3.29Å; L272-E307 WeakPolarHBondContact CD1-OE1 3.41Å; K275-E307 HydrophobicContact CD-CG 4.06Å; K275-E307 WeakPolarHBondContact CD-OE1 3.37Å; K275-E307 IonicContact NZ-OE1 3.7Å; K275-E307 PolarHBondContact NZ-OE1 3.16Å; S276-E307 PolarHBondContact O-N 3.03Å; H277-E307 CarbonylContact C-O 3.6Å; H277-E307 VanDerWaalsContact CA-O 3.25Å; H277-E307 WeakPolarHBondContact CA-O 3.35Å; H277-E307 HydrophobicContact CB-CB 4.32Å; I278-E307 PolarHBondContact N-O 3.39Å; E307-R330 WeakPolarHBondContact CA-O 3.35Å |
| 308 | V | 94.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.2 | 179.9 | -174 | 0 | 0 | 0 | 0 | 109.8 | I278 V280 F292 L293 F296 L297 F310 R330 V331 K332 | I278-V308 HydrophobicContact CD1-CG1 4.26Å; I278-V308 HydrophobicContact CD1-CG2 4.11Å; I278-V308 HydrophobicContact CG1-CB 4.39Å; I278-V308 HydrophobicContact CG1-CG1 4.36Å; I278-V308 HydrophobicContact CG1-CG2 4.14Å; V280-V308 HydrophobicContact CG2-CG1 3.69Å; F292-V308 HydrophobicContact CE1-CG1 4.1Å; L293-V308 HydrophobicContact CD2-CG1 4.38Å; L293-V308 HydrophobicContact CD2-CG2 4.4Å; F296-V308 HydrophobicContact CD1-CG2 3.65Å; F296-V308 HydrophobicContact CE1-CG2 3.5Å; F296-V308 VanDerWaalsContact CE1-CG2 3.5Å; F296-V308 HydrophobicContact CZ-CG2 4.41Å; L297-V308 HydrophobicContact CD2-CG2 4.16Å; V308-F310 HydrophobicContact CG1-CD2 4.1Å; V308-F310 HydrophobicContact CG1-CE2 3.57Å; V308-F310 HydrophobicContact CG1-CZ 3.85Å; V308-R330 PolarHBondContact N-O 3.43Å; V308-V331 HydrophobicContact CB-CG2 4.32Å; V308-V331 CarbonylContact O-C 3.44Å; V308-V331 WeakPolarHBondContact O-CA 3.26Å; V308-K332 PolarHBondContact O-N 3.07Å |
| 309 | V | 95.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 107.9 | 179.3 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | Y269 H277 I278 I279 V280 F334 V347 | Y269-V309 HydrophobicContact CD1-CG2 4.44Å; Y269-V309 HydrophobicContact CD2-CG2 3.81Å; Y269-V309 HydrophobicContact CE1-CG2 4.31Å; Y269-V309 HydrophobicContact CE2-CG2 3.66Å; Y269-V309 HydrophobicContact CG-CG2 4.22Å; H277-V309 HydrophobicContact CB-CG2 4.28Å; I278-V309 PolarHBondContact O-N 2.97Å; I279-V309 CarbonylContact C-O 3.53Å; I279-V309 WeakPolarHBondContact CA-O 3.41Å; I279-V309 HydrophobicContact CG1-CB 4.45Å; V280-V309 PolarHBondContact N-O 3.01Å; V309-F334 HydrophobicContact CG1-CD2 3.52Å; V309-F334 HydrophobicContact CG1-CE2 3.67Å; V309-V347 HydrophobicContact CG1-CB 4.38Å; V309-V347 HydrophobicContact CG1-CG1 4.23Å |
| 310 | F | 95.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 136.1 | 174.8 | -71.8 | -81.7 | 0 | 0 | 0 | 111.4 | V280 I284 V289 F292 L293 V308 L324 V331 K332 Y333 F334 | V280-F310 HydrophobicContact CB-CD1 3.66Å; V280-F310 HydrophobicContact CB-CE1 3.65Å; V280-F310 HydrophobicContact CB-CG 4.45Å; V280-F310 HydrophobicContact CB-CZ 4.42Å; V280-F310 HydrophobicContact CG1-CD1 3.82Å; V280-F310 HydrophobicContact CG1-CE1 3.5Å; V280-F310 VanDerWaalsContact CG1-CE1 3.5Å; V280-F310 HydrophobicContact CG1-CZ 4.46Å; V280-F310 HydrophobicContact CG2-CE1 4.27Å; V280-F310 WeakPolarHBondContact O-CA 3.42Å; I284-F310 HydrophobicContact CD1-CB 4.38Å; I284-F310 HydrophobicContact CD1-CD1 3.9Å; I284-F310 HydrophobicContact CG1-CD1 4.3Å; I284-F310 HydrophobicContact CG2-CD1 4.26Å; V289-F310 HydrophobicContact CG1-CE1 4.23Å; V289-F310 HydrophobicContact CG1-CE2 4.17Å; V289-F310 HydrophobicContact CG1-CZ 3.69Å; V289-F310 HydrophobicContact CG2-CE1 3.92Å; V289-F310 HydrophobicContact CG2-CZ 4.23Å; F292-F310 HydrophobicContact CD1-CZ 4.2Å; F292-F310 HydrophobicContact CE1-CZ 4.35Å; L293-F310 HydrophobicContact CD1-CE2 4.49Å; L293-F310 HydrophobicContact CD2-CE2 4.15Å; L293-F310 HydrophobicContact CD2-CZ 4.13Å; L293-F310 HydrophobicContact CG-CZ 4.43Å; V308-F310 HydrophobicContact CG1-CD2 4.1Å; V308-F310 HydrophobicContact CG1-CE2 3.57Å; V308-F310 HydrophobicContact CG1-CZ 3.85Å; F310-L324 HydrophobicContact CD2-CD2 4.27Å; F310-V331 HydrophobicContact CD2-CG1 3.55Å; F310-V331 HydrophobicContact CE2-CG1 3.48Å; F310-V331 VanDerWaalsContact CE2-CG1 3.48Å; F310-K332 PolarHBondContact N-O 3.04Å; F310-Y333 HydrophobicContact CB-CD2 3.61Å; F310-Y333 HydrophobicContact CB-CE2 4.19Å; F310-Y333 HydrophobicContact CB-CG 4.34Å; F310-Y333 HydrophobicContact CG-CD2 4.41Å; F310-F334 PolarHBondContact O-N 3.08Å |
| 311 | I | 95.1 | Very high | 88.3 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 119.5 | 170.4 | -175.5 | 172.9 | 0 | 0 | 0 | 110.6 | I279 V280 C281 I284 F334 V338 D343 V347 | I279-I311 HydrophobicContact CG2-CG2 3.78Å; V280-I311 PolarHBondContact O-N 2.79Å; C281-I311 HydrophobicContact CB-CG2 3.57Å; I284-I311 WeakPolarHBondContact CD1-O 3.3Å; I311-F334 WeakPolarHBondContact CA-O 3.42Å; I311-V338 HydrophobicContact CD1-CG2 4.43Å; I311-V338 HydrophobicContact CG2-CG2 3.71Å; I311-D343 HydrophobicContact CD1-CB 4.01Å; I311-V347 HydrophobicContact CB-CG1 4.45Å; I311-V347 HydrophobicContact CD1-CG1 4.13Å |
| 312 | N | 94.2 | Very high | 89 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 151.5 | 176.6 | -158.9 | -1 | 0 | 0 | 0 | 112.5 | I284 S314 Y333 F334 R335 G336 | I284-N312 HydrophobicContact CD1-CB 3.75Å; N312-S314 VanDerWaalsContact C-N 3.34Å; N312-S314 PolarHBondContact ND2-OG 2.73Å; N312-S314 PolarHBondContact O-N 3.23Å; N312-Y333 HydrophobicContact CB-CE2 4.42Å; N312-Y333 VanDerWaalsContact CB-OH 3.29Å; N312-Y333 WeakPolarHBondContact CB-OH 3.43Å; N312-F334 PolarHBondContact N-O 2.97Å; N312-R335 CarbonylContact O-C 3.53Å; N312-R335 VanDerWaalsContact O-CA 3.24Å; N312-R335 WeakPolarHBondContact O-CA 3.16Å; N312-G336 CarbonylContact C-O 3.57Å; N312-G336 WeakPolarHBondContact CA-O 2.83Å; N312-G336 PolarHBondContact O-N 3.47Å; N312-G336 VanDerWaalsContact O-O 3.12Å |
| 313 | R | 92.1 | Very high | 90 | Very high | 154 Ų | 154 | 52.5 Ų | 52.5 | 58% | 0.581 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -68.2 | -35.5 | 179.2 | -65.6 | -179.3 | 179.4 | 179.5 | -0.2 | 112 | R335 G336 S337 | R313-R335 WeakPolarHBondContact O-CG 3.32Å; R313-R335 PolarHBondContact O-NE 2.78Å; R313-G336 PolarHBondContact N-O 3.27Å; R313-S337 PolarHBondContact NE-OG 3.11Å; R313-S337 PolarHBondContact NH2-OG 2.87Å |
| 314 | S | 90.2 | Very high | 90.7 | Very high | 64 Ų | 64 | 48.1 Ų | 48.1 | 45% | 0.448 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -83.7 | 155.9 | -180 | 57.3 | 0 | 0 | 0 | 0 | 112 | N312 Y333 | N312-S314 VanDerWaalsContact C-N 3.34Å; N312-S314 PolarHBondContact ND2-OG 2.73Å; N312-S314 PolarHBondContact O-N 3.23Å; S314-Y333 PolarHBondContact O-OH 3.09Å |
| 315 | K | 90.5 | Very high | 91.6 | Very high | 130 Ų | 130 | 51.6 Ų | 51.6 | 57% | 0.565 | 25% | 0.247 | S | C | * | . | P | Polyproline II helix | trans | -73.7 | 146.8 | 166.8 | -66.3 | 178.7 | -179 | 177.6 | 0 | 108.2 | ||
| 316 | P | 91.8 | Very high | 91.9 | Very high | 14 Ų | 14 | 55.2 Ų | 55.2 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 143.2 | 175.4 | 29.2 | -32.7 | 0 | 0 | 0 | 109.3 | Y265 L320 L324 Y333 | Y265-P316 HydrophobicContact CD2-CG 4.24Å; Y265-P316 HydrophobicContact CE1-CG 4.09Å; Y265-P316 HydrophobicContact CE2-CG 3.5Å; Y265-P316 VanDerWaalsContact CE2-CG 3.5Å; Y265-P316 VanDerWaalsContact CZ-CG 3.4Å; Y265-P316 WeakPolarHBondContact OH-CG 3.43Å; P316-L320 HydrophobicContact CB-CB 4.07Å; P316-L320 HydrophobicContact CB-CD2 3.72Å; P316-L320 HydrophobicContact CB-CG 3.85Å; P316-L324 HydrophobicContact CB-CD1 4.07Å; P316-L324 HydrophobicContact CG-CD1 4.25Å; P316-Y333 HydrophobicContact CB-CE2 4.26Å; P316-Y333 HydrophobicContact CG-CD1 4.33Å; P316-Y333 HydrophobicContact CG-CE1 4.2Å |
| 317 | D | 91.6 | Very high | 91.8 | Very high | 77 Ų | 77 | 58 Ų | 58 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -69 | 171.2 | 171 | 70.2 | -3.8 | 0 | 0 | 0 | 110.3 | T286 Q319 L320 E321 | T286-D317 PolarHBondContact OG1-OD1 3.24Å; T286-D317 VanDerWaalsContact OG1-OD1 3.06Å; T286-D317 PolarHBondContact OG1-OD2 3.35Å; D317-Q319 PolarHBondContact O-N 3.32Å; D317-Q319 PolarHBondContact OD1-N 3.37Å; D317-L320 PolarHBondContact O-N 3.03Å; D317-L320 WeakPolarHBondContact OD1-CA 3.34Å; D317-L320 WeakPolarHBondContact OD1-CB 3.24Å; D317-L320 PolarHBondContact OD1-N 2.74Å; D317-E321 WeakPolarHBondContact O-CB 3.17Å; D317-E321 PolarHBondContact O-N 3.03Å |
| 318 | L | 92.2 | Very high | 91.3 | Very high | 126 Ų | 126 | 64.2 Ų | 64.2 | 66% | 0.66 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63 | -32.3 | -177.1 | -175.6 | 64.5 | 0 | 0 | 0 | 112.2 | N322 | L318-N322 VanDerWaalsContact O-CG 3.22Å; L318-N322 PolarHBondContact O-N 2.94Å; L318-N322 PolarHBondContact O-ND2 2.86Å |
| 319 | Q | 90.6 | Very high | 90.9 | Very high | 118 Ų | 118 | 70.8 Ų | 70.8 | 55% | 0.551 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -72.4 | -44.8 | -179.8 | -63.2 | -172.9 | -11.6 | 0 | 0 | 111.6 | T286 D317 E321 N322 L323 | T286-Q319 HydrophobicContact CG2-CB 3.75Å; D317-Q319 PolarHBondContact O-N 3.32Å; D317-Q319 PolarHBondContact OD1-N 3.37Å; Q319-E321 VanDerWaalsContact C-N 3.35Å; Q319-N322 PolarHBondContact O-N 2.63Å; Q319-L323 PolarHBondContact O-N 3.35Å |
| 320 | L | 90.6 | Very high | 90.5 | Very high | 6 Ų | 6 | 74 Ų | 74 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 172.1 | -176.7 | 57.2 | 0 | 0 | 0 | 110.5 | I284 V289 P316 D317 N322 L323 L324 Y333 | I284-L320 HydrophobicContact CG2-CD2 4Å; V289-L320 HydrophobicContact CB-CD1 3.94Å; V289-L320 HydrophobicContact CG1-CD1 3.78Å; V289-L320 HydrophobicContact CG2-CD1 4.07Å; P316-L320 HydrophobicContact CB-CB 4.07Å; P316-L320 HydrophobicContact CB-CD2 3.72Å; P316-L320 HydrophobicContact CB-CG 3.85Å; D317-L320 PolarHBondContact O-N 3.03Å; D317-L320 WeakPolarHBondContact OD1-CA 3.34Å; D317-L320 WeakPolarHBondContact OD1-CB 3.24Å; D317-L320 PolarHBondContact OD1-N 2.74Å; L320-N322 VanDerWaalsContact C-N 3.32Å; L320-N322 PolarHBondContact O-N 3.23Å; L320-L323 HydrophobicContact CD1-CD2 4.28Å; L320-L323 CarbonylContact O-C 3.03Å; L320-L323 WeakPolarHBondContact O-CB 3.32Å; L320-L323 PolarHBondContact O-N 2.87Å; L320-L323 VanDerWaalsContact O-N 3.1Å; L320-L324 HydrophobicContact CD1-CG 4.25Å; L320-L324 HydrophobicContact CG-CD1 4.1Å; L320-L324 HydrophobicContact CG-CG 4.27Å; L320-L324 WeakPolarHBondContact O-CB 3.49Å; L320-L324 WeakPolarHBondContact O-CG 3.41Å; L320-L324 PolarHBondContact O-N 2.93Å; L320-Y333 HydrophobicContact CD2-CE2 4.23Å |
| 321 | E | 91.7 | Very high | 90.4 | Very high | 30 Ų | 30 | 74.1 Ų | 74.1 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.3 | -42 | 175.1 | -176.2 | 172.3 | 157.5 | 0 | 0 | 111.7 | K264 Y265 D317 Q319 L323 L324 R325 | K264-E321 VanDerWaalsContact NZ-CD 3.31Å; K264-E321 IonicContact NZ-OE1 2.71Å; K264-E321 PolarHBondContact NZ-OE1 3.02Å; K264-E321 IonicContact NZ-OE2 3.57Å; Y265-E321 VanDerWaalsContact OH-CD 3.29Å; Y265-E321 PolarHBondContact OH-OE2 2.97Å; D317-E321 WeakPolarHBondContact O-CB 3.17Å; D317-E321 PolarHBondContact O-N 3.03Å; Q319-E321 VanDerWaalsContact C-N 3.35Å; E321-L323 VanDerWaalsContact C-N 3.32Å; E321-L323 PolarHBondContact O-N 3.42Å; E321-L324 PolarHBondContact O-N 3.24Å; E321-R325 VanDerWaalsContact O-CG 3.32Å; E321-R325 WeakPolarHBondContact O-CG 3.41Å; E321-R325 PolarHBondContact O-N 3.02Å; E321-R325 IonicContact OE1-CZ 3.73Å; E321-R325 VanDerWaalsContact OE1-CZ 3.32Å; E321-R325 IonicContact OE1-NE 2.56Å; E321-R325 PolarHBondContact OE1-NE 3.25Å; E321-R325 IonicContact OE1-NH2 2.72Å; E321-R325 PolarHBondContact OE1-NH2 3.12Å |
| 322 | N | 91.4 | Very high | 90.3 | Very high | 81 Ų | 81 | 76.9 Ų | 76.9 | 43% | 0.433 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 173.8 | -72.8 | -20.7 | 0 | 0 | 0 | 111.5 | L318 Q319 L320 R325 L326 | L318-N322 VanDerWaalsContact O-CG 3.22Å; L318-N322 PolarHBondContact O-N 2.94Å; L318-N322 PolarHBondContact O-ND2 2.86Å; Q319-N322 PolarHBondContact O-N 2.63Å; L320-N322 VanDerWaalsContact C-N 3.32Å; L320-N322 PolarHBondContact O-N 3.23Å; N322-R325 PolarHBondContact O-N 2.69Å; N322-L326 WeakPolarHBondContact O-CG 3.47Å; N322-L326 PolarHBondContact O-N 3.07Å |
| 323 | L | 90.2 | Very high | 90.3 | Very high | 13 Ų | 13 | 76.6 Ų | 76.6 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 178.3 | -173.4 | 145.7 | 0 | 0 | 0 | 112.9 | V289 R290 L293 Q319 L320 E321 L326 H327 | V289-L323 HydrophobicContact CG1-CD2 3.72Å; R290-L323 HydrophobicContact CB-CD1 3.66Å; R290-L323 HydrophobicContact CG-CD1 4.04Å; L293-L323 HydrophobicContact CD1-CD2 3.56Å; Q319-L323 PolarHBondContact O-N 3.35Å; L320-L323 HydrophobicContact CD1-CD2 4.28Å; L320-L323 CarbonylContact O-C 3.03Å; L320-L323 WeakPolarHBondContact O-CB 3.32Å; L320-L323 PolarHBondContact O-N 2.87Å; L320-L323 VanDerWaalsContact O-N 3.1Å; E321-L323 VanDerWaalsContact C-N 3.32Å; E321-L323 PolarHBondContact O-N 3.42Å; L323-L326 PolarHBondContact O-N 2.82Å; L323-H327 PolarHBondContact O-ND1 3.4Å |
| 324 | L | 91.3 | Very high | 90.4 | Very high | 15 Ų | 15 | 70.1 Ų | 70.1 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 173.8 | -67.9 | 171.9 | 0 | 0 | 0 | 111.6 | F310 P316 L320 E321 L326 H327 F328 V331 Y333 | F310-L324 HydrophobicContact CD2-CD2 4.27Å; P316-L324 HydrophobicContact CB-CD1 4.07Å; P316-L324 HydrophobicContact CG-CD1 4.25Å; L320-L324 HydrophobicContact CD1-CG 4.25Å; L320-L324 HydrophobicContact CG-CD1 4.1Å; L320-L324 HydrophobicContact CG-CG 4.27Å; L320-L324 WeakPolarHBondContact O-CB 3.49Å; L320-L324 WeakPolarHBondContact O-CG 3.41Å; L320-L324 PolarHBondContact O-N 2.93Å; E321-L324 PolarHBondContact O-N 3.24Å; L324-L326 VanDerWaalsContact C-N 3.33Å; L324-L326 PolarHBondContact O-N 2.98Å; L324-H327 CarbonylContact O-C 3.6Å; L324-H327 PolarHBondContact O-N 3.38Å; L324-F328 PolarHBondContact O-N 2.9Å; L324-F328 VanDerWaalsContact O-N 3.17Å; L324-V331 HydrophobicContact CD2-CG1 3.47Å; L324-V331 VanDerWaalsContact CD2-CG1 3.47Å; L324-Y333 HydrophobicContact CD1-CD2 3.81Å; L324-Y333 HydrophobicContact CD1-CG 3.99Å |
| 325 | R | 90.4 | Very high | 90.6 | Very high | 152 Ų | 152 | 72.7 Ų | 72.7 | 57% | 0.574 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.4 | -34.3 | 175.8 | -75.9 | 177.8 | -174.4 | -169.8 | 2.5 | 112.5 | E321 N322 H327 | E321-R325 VanDerWaalsContact O-CG 3.32Å; E321-R325 WeakPolarHBondContact O-CG 3.41Å; E321-R325 PolarHBondContact O-N 3.02Å; E321-R325 IonicContact OE1-CZ 3.73Å; E321-R325 VanDerWaalsContact OE1-CZ 3.32Å; E321-R325 IonicContact OE1-NE 2.56Å; E321-R325 PolarHBondContact OE1-NE 3.25Å; E321-R325 IonicContact OE1-NH2 2.72Å; E321-R325 PolarHBondContact OE1-NH2 3.12Å; N322-R325 PolarHBondContact O-N 2.69Å; R325-H327 PolarHBondContact O-N 2.85Å |
| 326 | L | 88.9 | Confident | 90.7 | Very high | 142 Ų | 142 | 66.9 Ų | 66.9 | 74% | 0.743 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.6 | -34.6 | 175.1 | -67.4 | 172.6 | 0 | 0 | 0 | 111.8 | N322 L323 L324 | N322-L326 WeakPolarHBondContact O-CG 3.47Å; N322-L326 PolarHBondContact O-N 3.07Å; L323-L326 PolarHBondContact O-N 2.82Å; L324-L326 VanDerWaalsContact C-N 3.33Å; L324-L326 PolarHBondContact O-N 2.98Å |
| 327 | H | 85.6 | Confident | 90.9 | Very high | 60 Ų | 60 | 67.1 Ų | 67.1 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 30.4 | -177.5 | -58.9 | 95.7 | 0 | 0 | 0 | 113.6 | L297 L323 L324 R325 L329 R330 V331 | L297-H327 HydrophobicContact CD1-CB 4.3Å; L323-H327 PolarHBondContact O-ND1 3.4Å; L324-H327 CarbonylContact O-C 3.6Å; L324-H327 PolarHBondContact O-N 3.38Å; R325-H327 PolarHBondContact O-N 2.85Å; H327-L329 PolarHBondContact O-N 2.95Å; H327-R330 PolarHBondContact O-N 2.99Å; H327-V331 HydrophobicContact CB-CB 4.1Å; H327-V331 HydrophobicContact CB-CG2 3.59Å; H327-V331 PolarHBondContact O-N 3.01Å |
| 328 | F | 84.4 | Confident | 91 | Very high | 137 Ų | 137 | 63.8 Ų | 63.8 | 60% | 0.601 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -30.2 | -169.7 | 179.4 | -100 | 0 | 0 | 0 | 115.5 | L324 K332 | L324-F328 PolarHBondContact O-N 2.9Å; L324-F328 VanDerWaalsContact O-N 3.17Å; F328-K332 PolarHBondContact O-NZ 3.45Å |
| 329 | L | 84.9 | Confident | 91.1 | Very high | 138 Ų | 138 | 61.8 Ų | 61.8 | 72% | 0.723 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -32.7 | -180 | -68.4 | 176 | 0 | 0 | 0 | 113.2 | H327 | H327-L329 PolarHBondContact O-N 2.95Š|
| 330 | R | 88 | Confident | 91.3 | Very high | 67 Ų | 67 | 59.4 Ų | 59.4 | 25% | 0.253 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -21.2 | -173.9 | -63.8 | -180 | 74.3 | -169.7 | -0.2 | 113.1 | L297 E307 V308 H327 | L297-R330 HydrophobicContact CD2-CB 4.48Å; L297-R330 PolarHBondContact O-NH1 2.91Å; E307-R330 WeakPolarHBondContact CA-O 3.35Å; V308-R330 PolarHBondContact N-O 3.43Å; H327-R330 PolarHBondContact O-N 2.99Å |
| 331 | V | 92.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 126.4 | -174.4 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | L293 L297 V308 F310 L324 H327 | L293-V331 HydrophobicContact CD1-CG2 3.99Å; L293-V331 HydrophobicContact CD2-CG2 4.02Å; L297-V331 HydrophobicContact CD1-CG2 3.84Å; V308-V331 HydrophobicContact CB-CG2 4.32Å; V308-V331 CarbonylContact O-C 3.44Å; V308-V331 WeakPolarHBondContact O-CA 3.26Å; F310-V331 HydrophobicContact CD2-CG1 3.55Å; F310-V331 HydrophobicContact CE2-CG1 3.48Å; F310-V331 VanDerWaalsContact CE2-CG1 3.48Å; L324-V331 HydrophobicContact CD2-CG1 3.47Å; L324-V331 VanDerWaalsContact CD2-CG1 3.47Å; H327-V331 HydrophobicContact CB-CB 4.1Å; H327-V331 HydrophobicContact CB-CG2 3.59Å; H327-V331 PolarHBondContact O-N 3.01Å |
| 332 | K | 93.4 | Very high | 91.6 | Very high | 62 Ų | 62 | 66.5 Ų | 66.5 | 27% | 0.27 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 150.6 | 174.3 | -57.5 | -59.4 | 179.7 | -163.9 | 0 | 110 | Y269 V308 F310 F328 F334 | Y269-K332 HydrophobicContact CE2-CG 4.38Å; V308-K332 PolarHBondContact O-N 3.07Å; F310-K332 PolarHBondContact N-O 3.04Å; F328-K332 PolarHBondContact O-NZ 3.45Å; K332-F334 HydrophobicContact CB-CE2 3.98Å |
| 333 | Y | 94.6 | Very high | 91.7 | Very high | 17 Ų | 17 | 63.6 Ų | 63.6 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 128.5 | -179.7 | -171.5 | -78.4 | 0 | 0 | 0 | 110.3 | Y265 I284 F310 N312 S314 P316 L320 L324 | Y265-Y333 AromaticContact CD1-CD1 3.82Å; Y265-Y333 HydrophobicContact CD1-CD1 3.82Å; Y265-Y333 HydrophobicContact CD1-CG 4.41Å; Y265-Y333 HydrophobicContact CE1-CD1 4.4Å; Y265-Y333 AromaticContact CG-CD1 3.89Å; Y265-Y333 HydrophobicContact CG-CD1 3.89Å; Y265-Y333 HydrophobicContact CG-CE1 4.48Å; I284-Y333 HydrophobicContact CG2-CE2 4.47Å; F310-Y333 HydrophobicContact CB-CD2 3.61Å; F310-Y333 HydrophobicContact CB-CE2 4.19Å; F310-Y333 HydrophobicContact CB-CG 4.34Å; F310-Y333 HydrophobicContact CG-CD2 4.41Å; N312-Y333 HydrophobicContact CB-CE2 4.42Å; N312-Y333 VanDerWaalsContact CB-OH 3.29Å; N312-Y333 WeakPolarHBondContact CB-OH 3.43Å; S314-Y333 PolarHBondContact O-OH 3.09Å; P316-Y333 HydrophobicContact CB-CE2 4.26Å; P316-Y333 HydrophobicContact CG-CD1 4.33Å; P316-Y333 HydrophobicContact CG-CE1 4.2Å; L320-Y333 HydrophobicContact CD2-CE2 4.23Å; L324-Y333 HydrophobicContact CD1-CD2 3.81Å; L324-Y333 HydrophobicContact CD1-CG 3.99Å |
| 334 | F | 94.7 | Very high | 92 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.1 | 177.1 | -68.3 | -91.8 | 0 | 0 | 0 | 110.3 | G267 Y269 V309 F310 I311 N312 K332 G336 V347 | G267-F334 WeakPolarHBondContact O-CD1 3.21Å; G267-F334 VanDerWaalsContact O-CE1 3.25Å; G267-F334 WeakPolarHBondContact O-CE1 3.19Å; Y269-F334 HydrophobicContact CD2-CE2 4.15Å; Y269-F334 HydrophobicContact CD2-CZ 4.33Å; Y269-F334 HydrophobicContact CG-CE2 4.49Å; V309-F334 HydrophobicContact CG1-CD2 3.52Å; V309-F334 HydrophobicContact CG1-CE2 3.67Å; F310-F334 PolarHBondContact O-N 3.08Å; I311-F334 WeakPolarHBondContact CA-O 3.42Å; N312-F334 PolarHBondContact N-O 2.97Å; K332-F334 HydrophobicContact CB-CE2 3.98Å; F334-G336 PolarHBondContact O-N 3.04Å; F334-V347 HydrophobicContact CB-CG1 4.26Å; F334-V347 HydrophobicContact CD2-CG1 4.24Å; F334-V347 HydrophobicContact CG-CG1 4.23Å |
| 335 | R | 93.6 | Very high | 92.2 | Very high | 118 Ų | 118 | 67.8 Ų | 67.8 | 45% | 0.445 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 106.7 | 174 | -177.2 | -171.1 | 177.7 | -162.9 | -1.7 | 109.4 | Y265 N312 R313 R346 | Y265-R335 PolarHBondContact O-N 3.16Å; N312-R335 CarbonylContact O-C 3.53Å; N312-R335 VanDerWaalsContact O-CA 3.24Å; N312-R335 WeakPolarHBondContact O-CA 3.16Å; R313-R335 WeakPolarHBondContact O-CG 3.32Å; R313-R335 PolarHBondContact O-NE 2.78Å; R335-R346 PolarHBondContact O-NH1 3.03Å; R335-R346 PolarHBondContact O-NH2 3.43Å |
| 336 | G | 92.7 | Very high | 92.4 | Very high | 7 Ų | 7 | 62.3 Ų | 62.3 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | trans | -171.8 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N312 R313 F334 D343 | N312-G336 CarbonylContact C-O 3.57Å; N312-G336 WeakPolarHBondContact CA-O 2.83Å; N312-G336 PolarHBondContact O-N 3.47Å; N312-G336 VanDerWaalsContact O-O 3.12Å; R313-G336 PolarHBondContact N-O 3.27Å; F334-G336 PolarHBondContact O-N 3.04Å; G336-D343 WeakPolarHBondContact CA-OD2 3.13Å | ||
| 337 | S | 94.7 | Very high | 92.7 | Very high | 20 Ų | 20 | 55.5 Ų | 55.5 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | trans | -120.4 | 134.2 | 176.9 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | R313 M339 D340 D343 | R313-S337 PolarHBondContact NE-OG 3.11Å; R313-S337 PolarHBondContact NH2-OG 2.87Å; S337-M339 PolarHBondContact O-N 2.72Å; S337-M339 VanDerWaalsContact O-N 3.16Å; S337-M339 WeakPolarHBondContact OG-CB 3.43Å; S337-M339 PolarHBondContact OG-N 3.18Å; S337-D340 PolarHBondContact O-N 2.93Å; S337-D343 PolarHBondContact N-OD2 3.37Å; S337-D343 WeakPolarHBondContact O-CB 3.36Å | ||
| 338 | V | 94.2 | Very high | 93.1 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21 | 173.5 | -180 | 0 | 0 | 0 | 0 | 112.5 | C281 I311 D340 L344 R376 V380 | C281-V338 HydrophobicContact CB-CG2 3.52Å; I311-V338 HydrophobicContact CD1-CG2 4.43Å; I311-V338 HydrophobicContact CG2-CG2 3.71Å; V338-D340 PolarHBondContact O-N 2.56Å; V338-L344 HydrophobicContact CB-CD2 4.4Å; V338-L344 HydrophobicContact CG1-CD2 3.89Å; V338-L344 WeakPolarHBondContact O-CD1 3.29Å; V338-R376 HydrophobicContact CG1-CB 4.44Å; V338-V380 HydrophobicContact CG1-CG2 3.22Å |
| 339 | M | 93.9 | Very high | 93.6 | Very high | 84 Ų | 84 | 49.6 Ų | 49.6 | 41% | 0.414 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -17.4 | 174.2 | -52.4 | -56.7 | -65.6 | 0 | 0 | 113.9 | S337 M375 R376 A379 | S337-M339 PolarHBondContact O-N 2.72Å; S337-M339 VanDerWaalsContact O-N 3.16Å; S337-M339 WeakPolarHBondContact OG-CB 3.43Å; S337-M339 PolarHBondContact OG-N 3.18Å; M339-M375 HydrophobicContact CE-CB 4.12Å; M339-M375 HydrophobicContact CE-CE 4.2Å; M339-M375 HydrophobicContact SD-CB 4.41Å; M339-R376 HydrophobicContact SD-CG 4.32Å; M339-A379 HydrophobicContact CE-CB 4.2Å; M339-A379 HydrophobicContact SD-CB 3.88Å |
| 340 | D | 94.7 | Very high | 94 | Very high | 69 Ų | 69 | 47.3 Ų | 47.3 | 37% | 0.369 | 23% | 0.226 | S | C | . | . | trans | -99.1 | 125.3 | 180 | -177.9 | 12.6 | 0 | 0 | 0 | 110.5 | S337 V338 T342 D343 L344 | S337-D340 PolarHBondContact O-N 2.93Å; V338-D340 PolarHBondContact O-N 2.56Å; D340-T342 PolarHBondContact O-N 2.72Å; D340-T342 PolarHBondContact OD1-N 2.64Å; D340-T342 VanDerWaalsContact OD1-N 3.11Å; D340-T342 PolarHBondContact OD2-OG1 2.93Å; D340-D343 HydrophobicContact CB-CB 4.23Å; D340-D343 WeakPolarHBondContact O-CB 3.29Å; D340-D343 PolarHBondContact O-N 3.28Å; D340-L344 PolarHBondContact O-N 2.97Å | ||
| 341 | H | 94.2 | Very high | 94.3 | Very high | 102 Ų | 102 | 46 Ų | 46 | 47% | 0.472 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.4 | -34.1 | 178.7 | -169.1 | -77 | 0 | 0 | 0 | 112.2 | D343 L344 Q345 F383 | H341-D343 VanDerWaalsContact C-N 3.3Å; H341-D343 PolarHBondContact O-N 3.09Å; H341-L344 PolarHBondContact O-N 2.57Å; H341-Q345 PolarHBondContact CE1-NE2 3.25Å; H341-Q345 VanDerWaalsContact CE1-NE2 3.3Å; H341-Q345 WeakPolarHBondContact O-CG 3.29Å; H341-Q345 PolarHBondContact O-N 3.12Å; H341-Q345 VanDerWaalsContact O-N 3.09Å; H341-F383 AromaticContact CD2-CD2 3.41Å; H341-F383 VanDerWaalsContact CD2-CD2 3.41Å; H341-F383 WeakPolarHBondContact CD2-CD2 3.46Å; H341-F383 AromaticContact CD2-CE2 3.76Å; H341-F383 AromaticContact CE1-CD2 3.91Å; H341-F383 AromaticContact CE1-CE2 3.45Å; H341-F383 VanDerWaalsContact CE1-CE2 3.45Å; H341-F383 WeakPolarHBondContact CE1-CE2 3.46Å; H341-F383 AromaticContact CG-CD2 3.96Å; H341-F383 AromaticContact ND1-CE2 3.82Å; H341-F383 AromaticContact NE2-CD2 3.37Å; H341-F383 WeakPolarHBondContact NE2-CD2 3.48Å; H341-F383 AromaticContact NE2-CE2 3.38Å; H341-F383 WeakPolarHBondContact NE2-CE2 3.4Å |
| 342 | T | 94.5 | Very high | 94.3 | Very high | 82 Ų | 82 | 46.2 Ų | 46.2 | 50% | 0.503 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -67.4 | -35 | 179.4 | 76.8 | 0 | 0 | 0 | 0 | 111.8 | D340 R346 | D340-T342 PolarHBondContact O-N 2.72Å; D340-T342 PolarHBondContact OD1-N 2.64Å; D340-T342 VanDerWaalsContact OD1-N 3.11Å; D340-T342 PolarHBondContact OD2-OG1 2.93Å; T342-R346 VanDerWaalsContact O-CB 3.31Å; T342-R346 WeakPolarHBondContact O-CB 3.11Å; T342-R346 PolarHBondContact O-N 3.12Å |
| 343 | D | 95.2 | Very high | 94.3 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.7 | -37.8 | 177.3 | -81.2 | -25.4 | 0 | 0 | 0 | 111.9 | I311 G336 S337 D340 H341 R346 V347 | I311-D343 HydrophobicContact CD1-CB 4.01Å; G336-D343 WeakPolarHBondContact CA-OD2 3.13Å; S337-D343 PolarHBondContact N-OD2 3.37Å; S337-D343 WeakPolarHBondContact O-CB 3.36Å; D340-D343 HydrophobicContact CB-CB 4.23Å; D340-D343 WeakPolarHBondContact O-CB 3.29Å; D340-D343 PolarHBondContact O-N 3.28Å; H341-D343 VanDerWaalsContact C-N 3.3Å; H341-D343 PolarHBondContact O-N 3.09Å; D343-R346 WeakPolarHBondContact O-CB 3.21Å; D343-R346 PolarHBondContact O-N 3.19Å; D343-R346 IonicContact OD1-CZ 3.18Å; D343-R346 IonicContact OD1-NE 3.56Å; D343-R346 PolarHBondContact OD1-NE 3.36Å; D343-R346 IonicContact OD1-NH2 3.52Å; D343-R346 PolarHBondContact OD1-NH2 2.79Å; D343-R346 IonicContact OD2-NH2 2.57Å; D343-V347 WeakPolarHBondContact O-CG2 3.39Å; D343-V347 PolarHBondContact O-N 3.31Å; D343-V347 VanDerWaalsContact O-N 3.11Å |
| 344 | L | 95.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 173.8 | -66.2 | -179.8 | 0 | 0 | 0 | 112.4 | V338 D340 H341 R346 V347 K348 M349 F383 | V338-L344 HydrophobicContact CB-CD2 4.4Å; V338-L344 HydrophobicContact CG1-CD2 3.89Å; V338-L344 WeakPolarHBondContact O-CD1 3.29Å; D340-L344 PolarHBondContact O-N 2.97Å; H341-L344 PolarHBondContact O-N 2.57Å; L344-R346 VanDerWaalsContact C-N 3.33Å; L344-V347 WeakPolarHBondContact O-CG2 3.49Å; L344-K348 PolarHBondContact O-N 2.92Å; L344-M349 HydrophobicContact CB-CB 4.17Å; L344-M349 HydrophobicContact CD2-CB 4.28Å; L344-M349 HydrophobicContact CD2-CE 3.55Å; L344-M349 HydrophobicContact CD2-CG 4.16Å; L344-M349 WeakPolarHBondContact O-CB 3.33Å; L344-M349 PolarHBondContact O-N 3.11Å; L344-F383 HydrophobicContact CB-CD1 4.12Å; L344-F383 HydrophobicContact CB-CD2 3.98Å; L344-F383 HydrophobicContact CB-CE1 4.15Å; L344-F383 HydrophobicContact CB-CE2 3.98Å; L344-F383 HydrophobicContact CB-CG 4.05Å; L344-F383 HydrophobicContact CB-CZ 4.08Å; L344-F383 HydrophobicContact CD1-CB 3.5Å; L344-F383 HydrophobicContact CD1-CD1 4.2Å; L344-F383 HydrophobicContact CD1-CD2 3.87Å; L344-F383 HydrophobicContact CD1-CG 3.59Å; L344-F383 HydrophobicContact CG-CG 4.46Å |
| 345 | Q | 95.7 | Very high | 94.3 | Very high | 112 Ų | 112 | 44.5 Ų | 44.5 | 52% | 0.523 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 172.6 | -72.2 | -179.6 | -26.7 | 0 | 0 | 111.7 | H341 V347 K348 F383 | H341-Q345 PolarHBondContact CE1-NE2 3.25Å; H341-Q345 VanDerWaalsContact CE1-NE2 3.3Å; H341-Q345 WeakPolarHBondContact O-CG 3.29Å; H341-Q345 PolarHBondContact O-N 3.12Å; H341-Q345 VanDerWaalsContact O-N 3.09Å; Q345-V347 VanDerWaalsContact C-N 3.33Å; Q345-V347 PolarHBondContact O-N 3.19Å; Q345-K348 PolarHBondContact O-N 3.47Å; Q345-F383 HydrophobicContact CG-CE2 3.83Å; Q345-F383 HydrophobicContact CG-CZ 3.85Å |
| 346 | R | 94.5 | Very high | 94.5 | Very high | 36 Ų | 36 | 39 Ų | 39 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.3 | -34.9 | -178.2 | -172.2 | 170.4 | 65.4 | 144.2 | -2.6 | 113.1 | G267 I268 Y269 R335 T342 D343 L344 K348 | G267-R346 WeakPolarHBondContact O-CD 3.37Å; G267-R346 WeakPolarHBondContact O-CG 3.33Å; I268-R346 HydrophobicContact CB-CG 4.42Å; I268-R346 HydrophobicContact CG1-CG 4.06Å; Y269-R346 PolarHBondContact N-O 3.28Å; R335-R346 PolarHBondContact O-NH1 3.03Å; R335-R346 PolarHBondContact O-NH2 3.43Å; T342-R346 VanDerWaalsContact O-CB 3.31Å; T342-R346 WeakPolarHBondContact O-CB 3.11Å; T342-R346 PolarHBondContact O-N 3.12Å; D343-R346 WeakPolarHBondContact O-CB 3.21Å; D343-R346 PolarHBondContact O-N 3.19Å; D343-R346 IonicContact OD1-CZ 3.18Å; D343-R346 IonicContact OD1-NE 3.56Å; D343-R346 PolarHBondContact OD1-NE 3.36Å; D343-R346 IonicContact OD1-NH2 3.52Å; D343-R346 PolarHBondContact OD1-NH2 2.79Å; D343-R346 IonicContact OD2-NH2 2.57Å; L344-R346 VanDerWaalsContact C-N 3.33Å; R346-K348 VanDerWaalsContact C-N 3.32Å |
| 347 | V | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 0.7 | 174 | -60.3 | 0 | 0 | 0 | 0 | 113.4 | H277 I279 V309 I311 F334 D343 L344 Q345 M349 | H277-V347 PolarHBondContact NE2-O 3.34Å; I279-V347 HydrophobicContact CD1-CB 4.16Å; I279-V347 HydrophobicContact CD1-CG2 3.63Å; I279-V347 HydrophobicContact CG1-CB 4.49Å; I279-V347 HydrophobicContact CG1-CG2 4.33Å; V309-V347 HydrophobicContact CG1-CB 4.38Å; V309-V347 HydrophobicContact CG1-CG1 4.23Å; I311-V347 HydrophobicContact CB-CG1 4.45Å; I311-V347 HydrophobicContact CD1-CG1 4.13Å; F334-V347 HydrophobicContact CB-CG1 4.26Å; F334-V347 HydrophobicContact CD2-CG1 4.24Å; F334-V347 HydrophobicContact CG-CG1 4.23Å; D343-V347 WeakPolarHBondContact O-CG2 3.39Å; D343-V347 PolarHBondContact O-N 3.31Å; D343-V347 VanDerWaalsContact O-N 3.11Å; L344-V347 WeakPolarHBondContact O-CG2 3.49Å; Q345-V347 VanDerWaalsContact C-N 3.33Å; Q345-V347 PolarHBondContact O-N 3.19Å; V347-M349 HydrophobicContact CG2-CB 4.39Å |
| 348 | K | 94.9 | Very high | 94.6 | Very high | 73 Ų | 73 | 38 Ų | 38 | 32% | 0.317 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 56 | -175.3 | -58.9 | -172 | 169.6 | -169 | 0 | 112.3 | Y269 K271 H277 L344 Q345 R346 D350 S351 A352 | Y269-K348 WeakPolarHBondContact O-CD 3.38Å; Y269-K348 WeakPolarHBondContact O-CE 3.43Å; K271-K348 HydrophobicContact CB-CD 4.22Å; H277-K348 PolarHBondContact CE1-O 3.46Å; H277-K348 PolarHBondContact NE2-O 2.84Å; L344-K348 PolarHBondContact O-N 2.92Å; Q345-K348 PolarHBondContact O-N 3.47Å; R346-K348 VanDerWaalsContact C-N 3.32Å; K348-D350 VanDerWaalsContact C-N 3.29Å; K348-D350 WeakPolarHBondContact CA-OD1 3.41Å; K348-D350 PolarHBondContact O-N 2.95Å; K348-S351 WeakPolarHBondContact CB-OG 3.42Å; K348-S351 PolarHBondContact O-N 2.94Å; K348-S351 PolarHBondContact O-OG 2.92Å; K348-A352 PolarHBondContact O-N 3.2Å |
| 349 | M | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -57.4 | -42.9 | 180 | -177.6 | 63.8 | 77.8 | 0 | 0 | 111.4 | I279 L344 V347 S351 A352 C355 V380 F383 I387 | I279-M349 HydrophobicContact CB-CE 4.08Å; I279-M349 HydrophobicContact CB-SD 4.46Å; I279-M349 HydrophobicContact CD1-CB 4Å; I279-M349 HydrophobicContact CD1-CE 3.6Å; I279-M349 HydrophobicContact CD1-CG 4.35Å; I279-M349 HydrophobicContact CD1-SD 3.45Å; I279-M349 WeakPolarHBondContact CD1-SD 3.42Å; I279-M349 HydrophobicContact CG1-CE 4.44Å; I279-M349 HydrophobicContact CG2-CE 3.73Å; L344-M349 HydrophobicContact CB-CB 4.17Å; L344-M349 HydrophobicContact CD2-CB 4.28Å; L344-M349 HydrophobicContact CD2-CE 3.55Å; L344-M349 HydrophobicContact CD2-CG 4.16Å; L344-M349 WeakPolarHBondContact O-CB 3.33Å; L344-M349 PolarHBondContact O-N 3.11Å; V347-M349 HydrophobicContact CG2-CB 4.39Å; M349-S351 PolarHBondContact O-N 3.23Å; M349-S351 VanDerWaalsContact O-N 3.11Å; M349-A352 VanDerWaalsContact O-CB 3.25Å; M349-A352 WeakPolarHBondContact O-CB 3.25Å; M349-A352 PolarHBondContact O-N 3.42Å; M349-C355 HydrophobicContact CE-CB 4.43Å; M349-C355 HydrophobicContact SD-CB 4.13Å; M349-V380 HydrophobicContact CE-CG1 4.34Å; M349-V380 HydrophobicContact CE-CG2 4.07Å; M349-V380 HydrophobicContact CG-CG1 4.29Å; M349-V380 HydrophobicContact SD-CG1 3.94Å; M349-F383 HydrophobicContact CB-CD1 3.93Å; M349-F383 HydrophobicContact CB-CE1 3.74Å; M349-F383 HydrophobicContact CG-CD1 3.92Å; M349-F383 HydrophobicContact CG-CE1 4.23Å; M349-I387 HydrophobicContact CB-CD1 4.44Å; M349-I387 HydrophobicContact CG-CD1 3.46Å; M349-I387 VanDerWaalsContact CG-CD1 3.46Å; M349-I387 WeakPolarHBondContact O-CD1 3.31Å; M349-I387 HydrophobicContact SD-CD1 3.7Å |
| 350 | D | 93.3 | Very high | 93.9 | Very high | 89 Ų | 89 | 34.1 Ų | 34.1 | 48% | 0.476 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -48.3 | -37.8 | 176.9 | 62.6 | -22.1 | 0 | 0 | 0 | 115.6 | K348 F383 H386 | K348-D350 VanDerWaalsContact C-N 3.29Å; K348-D350 WeakPolarHBondContact CA-OD1 3.41Å; K348-D350 PolarHBondContact O-N 2.95Å; D350-F383 HydrophobicContact CB-CE1 4.31Å; D350-H386 PolarHBondContact O-NE2 3.35Å |
| 351 | S | 93.2 | Very high | 93.1 | Very high | 39 Ų | 39 | 32.1 Ų | 32.1 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -105.2 | 6.5 | -175.9 | 66 | 0 | 0 | 0 | 0 | 113.9 | K271 H277 K348 M349 | K271-S351 PolarHBondContact NZ-O 3.4Å; H277-S351 PolarHBondContact CE1-O 3.16Å; K348-S351 WeakPolarHBondContact CB-OG 3.42Å; K348-S351 PolarHBondContact O-N 2.94Å; K348-S351 PolarHBondContact O-OG 2.92Å; M349-S351 PolarHBondContact O-N 3.23Å; M349-S351 VanDerWaalsContact O-N 3.11Å |
| 352 | A | 93.9 | Very high | 92.3 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 8% | 0.083 | 17% | 0.168 | C | C | . | . | trans | -73.9 | 149.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | I279 K348 M349 | I279-A352 HydrophobicContact CD1-CB 3.64Å; I279-A352 HydrophobicContact CG1-CB 4.14Å; K348-A352 PolarHBondContact O-N 3.2Å; M349-A352 VanDerWaalsContact O-CB 3.25Å; M349-A352 WeakPolarHBondContact O-CB 3.25Å; M349-A352 PolarHBondContact O-N 3.42Å | ||
| 353 | D | 92.7 | Very high | 91.6 | Very high | 62 Ų | 62 | 27.9 Ų | 27.9 | 33% | 0.332 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -78.2 | -41.9 | 179.6 | -167.6 | 30.7 | 0 | 0 | 0 | 111.5 | H277 I278 R303 Y1087 | H277-D353 PolarHBondContact O-N 2.92Å; I278-D353 HydrophobicContact CG2-CB 4.45Å; R303-D353 IonicContact CZ-OD2 3.87Å; R303-D353 IonicContact NH1-OD2 3.27Å; R303-D353 IonicContact NH2-OD2 2.67Å; R303-D353 PolarHBondContact NH2-OD2 3.2Å; D353-Y1087 PolarHBondContact OD2-OH 3.04Å |
| 354 | A | 94.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 157 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I278 I279 L356 R388 Y1087 | I278-A354 WeakPolarHBondContact CA-O 3.31Å; I278-A354 HydrophobicContact CG2-CB 4.39Å; I279-A354 PolarHBondContact N-O 2.76Å; A354-L356 HydrophobicContact CB-CD1 4.22Å; A354-R388 CarbonylContact C-O 3.58Å; A354-R388 VanDerWaalsContact CA-O 3.31Å; A354-R388 WeakPolarHBondContact CA-O 3.36Å; A354-R388 HydrophobicContact CB-CB 4.27Å; A354-Y1087 HydrophobicContact CB-CD2 3.83Å; A354-Y1087 HydrophobicContact CB-CE2 3.78Å |
| 355 | C | 95.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 119.1 | 170.2 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | I279 M349 V380 I387 R388 I389 I390 | I279-C355 CarbonylContact O-C 3.57Å; I279-C355 WeakPolarHBondContact O-CA 3.32Å; M349-C355 HydrophobicContact CE-CB 4.43Å; M349-C355 HydrophobicContact SD-CB 4.13Å; C355-V380 HydrophobicContact CB-CG1 4.31Å; C355-I387 HydrophobicContact CB-CG2 4.07Å; C355-R388 PolarHBondContact N-O 2.88Å; C355-I389 HydrophobicContact CB-CG1 4.44Å; C355-I389 WeakPolarHBondContact O-CA 3.34Å; C355-I390 PolarHBondContact O-N 2.79Å |
| 356 | L | 96 | Very high | 89.9 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 125.4 | 176.7 | -68.3 | 76.4 | 0 | 0 | 0 | 109.2 | I278 I279 V280 C281 F292 A354 I390 A1083 Y1087 | I278-L356 HydrophobicContact CB-CD1 4.15Å; I278-L356 HydrophobicContact CD1-CD1 3.86Å; I278-L356 HydrophobicContact CD1-CD2 4.49Å; I278-L356 HydrophobicContact CG2-CD1 4.47Å; I279-L356 PolarHBondContact O-N 2.8Å; V280-L356 WeakPolarHBondContact CA-O 3.44Å; V280-L356 HydrophobicContact CG2-CB 4.32Å; C281-L356 PolarHBondContact N-O 3.35Å; F292-L356 HydrophobicContact CE2-CD2 3.59Å; F292-L356 HydrophobicContact CZ-CD2 3.84Å; A354-L356 HydrophobicContact CB-CD1 4.22Å; L356-I390 CarbonylContact C-O 3.6Å; L356-I390 WeakPolarHBondContact CA-O 3.45Å; L356-I390 HydrophobicContact CG-CB 4.34Å; L356-I390 HydrophobicContact CG-CD1 4.49Å; L356-A1083 HydrophobicContact CD2-CB 4.45Å; L356-Y1087 HydrophobicContact CD1-CD2 4.47Å |
| 357 | I | 95.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 103.8 | 179 | -46.7 | -169.8 | 0 | 0 | 0 | 108.4 | N373 R376 V377 I389 I390 V391 Q392 | I357-N373 HydrophobicContact CG2-CB 4.17Å; I357-N373 WeakPolarHBondContact CG2-OD1 3.26Å; I357-R376 HydrophobicContact CD1-CB 3.93Å; I357-V377 HydrophobicContact CD1-CB 4.43Å; I357-V377 HydrophobicContact CD1-CG2 3.6Å; I357-I389 HydrophobicContact CD1-CG2 4.08Å; I357-I389 HydrophobicContact CG1-CG2 4.28Å; I357-I390 PolarHBondContact N-O 3.4Å; I357-V391 HydrophobicContact CB-CB 4.28Å; I357-V391 HydrophobicContact CB-CG2 4.06Å; I357-V391 HydrophobicContact CG2-CG2 4.32Å; I357-Q392 PolarHBondContact O-N 2.53Å |
| 358 | L | 93.5 | Very high | 89.6 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 145.1 | -177 | -56.3 | -178.3 | 0 | 0 | 0 | 111.8 | V280 C281 G282 D283 Q392 A1083 | V280-L358 HydrophobicContact CG1-CD1 3.58Å; V280-L358 HydrophobicContact CG1-CG 3.81Å; C281-L358 PolarHBondContact O-N 2.93Å; G282-L358 WeakPolarHBondContact CA-O 3.26Å; D283-L358 PolarHBondContact N-O 3.11Å; L358-Q392 VanDerWaalsContact CA-OE1 3.27Å; L358-A1083 HydrophobicContact CD2-CB 4.19Å |
| 359 | A | 91.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -116.9 | 154.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q392 L394 | A359-Q392 HydrophobicContact CB-CB 3.77Å; A359-Q392 PolarHBondContact O-OE1 3.25Å; A359-L394 HydrophobicContact CB-CD2 4.1Å; A359-L394 HydrophobicContact CB-CG 4.22Å | ||
| 360 | S | 83.9 | Confident | 89.5 | Confident | 9 Ų | 9 | 39 Ų | 39 | 6% | 0.063 | 21% | 0.205 | C | C | . | . | trans | -107 | 125.6 | 172.2 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | D283 T362 T363 | D283-S360 WeakPolarHBondContact OD2-CB 3.46Å; S360-T362 PolarHBondContact O-N 2.97Å; S360-T362 VanDerWaalsContact O-N 3.11Å; S360-T362 PolarHBondContact OG-N 3.04Å; S360-T362 VanDerWaalsContact OG-N 3.17Å; S360-T362 PolarHBondContact OG-OG1 3.41Å; S360-T363 PolarHBondContact O-N 3.16Å; S360-T363 VanDerWaalsContact O-N 3.16Å | ||
| 361 | A | 77.8 | Confident | 89.6 | Confident | 27 Ų | 27 | 37.1 Ų | 37.1 | 22% | 0.223 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -17.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F419 | A361-F419 HydrophobicContact CB-CD2 4.21Å; A361-F419 HydrophobicContact CB-CE2 4.19Å |
| 362 | T | 75.8 | Confident | 89.7 | Confident | 68 Ų | 68 | 37 Ų | 37 | 42% | 0.417 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 15.5 | 178.6 | 72.7 | 0 | 0 | 0 | 0 | 113.8 | S360 R986 | S360-T362 PolarHBondContact O-N 2.97Å; S360-T362 VanDerWaalsContact O-N 3.11Å; S360-T362 PolarHBondContact OG-N 3.04Å; S360-T362 VanDerWaalsContact OG-N 3.17Å; S360-T362 PolarHBondContact OG-OG1 3.41Å; T362-R986 PolarHBondContact O-NH1 3.03Å |
| 363 | T | 79.7 | Confident | 89.8 | Confident | 27 Ų | 27 | 36.6 Ų | 36.6 | 17% | 0.166 | 20% | 0.201 | C | C | . | . | trans | -68.9 | 152.2 | 174.4 | -166.1 | 0 | 0 | 0 | 0 | 113.1 | S360 P366 T369 L394 R986 | S360-T363 PolarHBondContact O-N 3.16Å; S360-T363 VanDerWaalsContact O-N 3.16Å; T363-P366 HydrophobicContact CG2-CB 4.4Å; T363-T369 WeakPolarHBondContact CB-OG1 3.37Å; T363-T369 HydrophobicContact CG2-CG2 4.34Å; T363-T369 WeakPolarHBondContact CG2-OG1 3.3Å; T363-T369 PolarHBondContact OG1-OG1 3.47Å; T363-L394 HydrophobicContact CG2-CD1 3.29Å; T363-R986 PolarHBondContact O-NH1 2.89Å | ||
| 364 | K | 76.9 | Confident | 89.9 | Confident | 169 Ų | 169 | 34.4 Ų | 34.4 | 74% | 0.735 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -75 | -44.3 | -179.5 | -68.8 | 176.3 | 179.7 | 168.6 | 0 | 112.2 | ||
| 365 | D | 86.3 | Confident | 90 | Very high | 69 Ų | 69 | 39 Ų | 39 | 37% | 0.369 | 21% | 0.211 | S | C | . | . | trans | -122.3 | 105.8 | 179.3 | -176.8 | -2.6 | 0 | 0 | 0 | 108.7 | Y367 Q368 T369 | D365-Y367 VanDerWaalsContact C-N 3.31Å; D365-Y367 PolarHBondContact O-N 3.22Å; D365-Y367 PolarHBondContact OD1-N 3.26Å; D365-Q368 HydrophobicContact CB-CB 4.12Å; D365-Q368 PolarHBondContact OD1-N 3.19Å; D365-Q368 WeakPolarHBondContact OD2-CB 2.97Å; D365-T369 PolarHBondContact O-N 3.08Å; D365-T369 PolarHBondContact O-OG1 3.44Å | ||
| 366 | P | 88.3 | Confident | 89.9 | Confident | 16 Ų | 16 | 41.5 Ų | 41.5 | 10% | 0.104 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.4 | -34.1 | -179.4 | 27.1 | -32.9 | 0 | 0 | 0 | 112 | T363 T369 D370 L394 Q395 P910 | T363-P366 HydrophobicContact CG2-CB 4.4Å; P366-T369 PolarHBondContact O-N 3.28Å; P366-D370 WeakPolarHBondContact O-CB 3.48Å; P366-D370 PolarHBondContact O-N 3.45Å; P366-L394 HydrophobicContact CB-CB 3.93Å; P366-L394 HydrophobicContact CB-CD1 3.8Å; P366-Q395 HydrophobicContact CB-CG 4.12Å; P366-Q395 HydrophobicContact CG-CG 4.4Å; P366-P910 HydrophobicContact CG-CB 3.67Å; P366-P910 HydrophobicContact CG-CG 4.04Å |
| 367 | Y | 91.2 | Very high | 89.9 | Confident | 67 Ų | 67 | 41.7 Ų | 41.7 | 26% | 0.263 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.5 | -45 | -178.4 | -64.4 | -81.4 | 0 | 0 | 0 | 111.7 | D365 T369 D370 A371 Q395 P910 L911 | D365-Y367 VanDerWaalsContact C-N 3.31Å; D365-Y367 PolarHBondContact O-N 3.22Å; D365-Y367 PolarHBondContact OD1-N 3.26Å; Y367-T369 VanDerWaalsContact C-N 3.3Å; Y367-T369 PolarHBondContact O-N 3.29Å; Y367-D370 PolarHBondContact O-N 2.8Å; Y367-A371 WeakPolarHBondContact O-CB 3.45Å; Y367-A371 PolarHBondContact O-N 3.43Å; Y367-Q395 HydrophobicContact CD1-CG 4.35Å; Y367-Q395 HydrophobicContact CE1-CG 4.1Å; Y367-P910 HydrophobicContact CE2-CB 3.94Å; Y367-L911 WeakPolarHBondContact OH-CB 3.02Å; Y367-L911 WeakPolarHBondContact OH-CG 3.46Å |
| 368 | Q | 92.2 | Very high | 89.8 | Confident | 139 Ų | 139 | 44.2 Ų | 44.2 | 65% | 0.65 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.9 | -36.9 | 175.8 | -173.8 | 178.5 | 45.4 | 0 | 0 | 112.2 | D365 A372 | D365-Q368 HydrophobicContact CB-CB 4.12Å; D365-Q368 PolarHBondContact OD1-N 3.19Å; D365-Q368 WeakPolarHBondContact OD2-CB 2.97Å; Q368-A372 WeakPolarHBondContact O-CB 2.94Å; Q368-A372 PolarHBondContact O-N 3.09Å |
| 369 | T | 92.3 | Very high | 89.9 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 12% | 0.117 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.4 | -44.4 | 179.7 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | T363 D365 P366 Y367 A372 N373 L394 | T363-T369 WeakPolarHBondContact CB-OG1 3.37Å; T363-T369 HydrophobicContact CG2-CG2 4.34Å; T363-T369 WeakPolarHBondContact CG2-OG1 3.3Å; T363-T369 PolarHBondContact OG1-OG1 3.47Å; D365-T369 PolarHBondContact O-N 3.08Å; D365-T369 PolarHBondContact O-OG1 3.44Å; P366-T369 PolarHBondContact O-N 3.28Å; Y367-T369 VanDerWaalsContact C-N 3.3Å; Y367-T369 PolarHBondContact O-N 3.29Å; T369-A372 PolarHBondContact O-N 3.49Å; T369-N373 PolarHBondContact O-N 3.43Å; T369-L394 HydrophobicContact CG2-CD1 4.16Å |
| 370 | D | 95.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -45.4 | 175.3 | -74.9 | -7.6 | 0 | 0 | 0 | 111.7 | P366 Y367 A372 N373 I374 L393 L394 Q395 N398 | P366-D370 WeakPolarHBondContact O-CB 3.48Å; P366-D370 PolarHBondContact O-N 3.45Å; Y367-D370 PolarHBondContact O-N 2.8Å; D370-A372 VanDerWaalsContact C-N 3.27Å; D370-A372 PolarHBondContact O-N 3.26Å; D370-N373 CarbonylContact O-C 2.87Å; D370-N373 WeakPolarHBondContact O-CA 3.39Å; D370-N373 WeakPolarHBondContact O-CB 3.4Å; D370-N373 PolarHBondContact O-N 3.27Å; D370-I374 VanDerWaalsContact O-CG1 3.3Å; D370-I374 WeakPolarHBondContact O-CG1 3.25Å; D370-I374 PolarHBondContact O-N 2.93Å; D370-L393 HydrophobicContact CB-CD2 4.19Å; D370-L393 WeakPolarHBondContact OD1-CA 3.39Å; D370-L394 VanDerWaalsContact CG-N 3.34Å; D370-L394 WeakPolarHBondContact OD1-CB 3.29Å; D370-L394 PolarHBondContact OD1-N 3.17Å; D370-L394 PolarHBondContact OD2-N 3.16Å; D370-Q395 PolarHBondContact OD2-N 2.93Å; D370-N398 HydrophobicContact CB-CB 3.95Å; D370-N398 WeakPolarHBondContact CB-ND2 3.46Å; D370-N398 PolarHBondContact OD2-ND2 3.47Å |
| 371 | A | 95.5 | Very high | 90.5 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 42% | 0.421 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.3 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y367 I374 M375 | Y367-A371 WeakPolarHBondContact O-CB 3.45Å; Y367-A371 PolarHBondContact O-N 3.43Å; A371-I374 PolarHBondContact O-N 2.8Å; A371-M375 WeakPolarHBondContact O-CG 3.36Å; A371-M375 PolarHBondContact O-N 3.45Å |
| 372 | A | 95.2 | Very high | 91.3 | Very high | 37 Ų | 37 | 49.4 Ų | 49.4 | 31% | 0.306 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q368 T369 D370 R376 | Q368-A372 WeakPolarHBondContact O-CB 2.94Å; Q368-A372 PolarHBondContact O-N 3.09Å; T369-A372 PolarHBondContact O-N 3.49Å; D370-A372 VanDerWaalsContact C-N 3.27Å; D370-A372 PolarHBondContact O-N 3.26Å; A372-R376 VanDerWaalsContact O-CG 3.27Å; A372-R376 WeakPolarHBondContact O-CG 3.17Å; A372-R376 PolarHBondContact O-N 2.77Å; A372-R376 VanDerWaalsContact O-N 3.08Å |
| 373 | N | 95.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 174.4 | -81.7 | -9 | 0 | 0 | 0 | 111.9 | I357 T369 D370 M375 R376 V377 V391 Q392 L393 | I357-N373 HydrophobicContact CG2-CB 4.17Å; I357-N373 WeakPolarHBondContact CG2-OD1 3.26Å; T369-N373 PolarHBondContact O-N 3.43Å; D370-N373 CarbonylContact O-C 2.87Å; D370-N373 WeakPolarHBondContact O-CA 3.39Å; D370-N373 WeakPolarHBondContact O-CB 3.4Å; D370-N373 PolarHBondContact O-N 3.27Å; N373-M375 VanDerWaalsContact C-N 3.33Å; N373-M375 PolarHBondContact O-N 3.35Å; N373-R376 WeakPolarHBondContact O-CB 3.3Å; N373-R376 PolarHBondContact O-N 2.82Å; N373-R376 VanDerWaalsContact O-N 3.09Å; N373-R376 PolarHBondContact OD1-NH1 3.37Å; N373-V377 WeakPolarHBondContact O-CG2 3.25Å; N373-V377 PolarHBondContact O-N 3.13Å; N373-V391 HydrophobicContact CB-CG2 4.16Å; N373-Q392 PolarHBondContact ND2-O 3.31Å; N373-L393 HydrophobicContact CB-CD2 4.16Å |
| 374 | I | 95.5 | Very high | 92.8 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 8% | 0.077 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.3 | -46.1 | 175.7 | -67.6 | 162.8 | 0 | 0 | 0 | 110.4 | D370 A371 R376 V377 I378 L393 N398 Y401 L402 | D370-I374 VanDerWaalsContact O-CG1 3.3Å; D370-I374 WeakPolarHBondContact O-CG1 3.25Å; D370-I374 PolarHBondContact O-N 2.93Å; A371-I374 PolarHBondContact O-N 2.8Å; I374-R376 VanDerWaalsContact C-N 3.29Å; I374-R376 PolarHBondContact O-N 3.41Å; I374-V377 WeakPolarHBondContact O-CB 3.29Å; I374-V377 PolarHBondContact O-N 3.25Å; I374-V377 VanDerWaalsContact O-N 3.13Å; I374-I378 HydrophobicContact CG2-CD1 4.13Å; I374-I378 WeakPolarHBondContact O-CG1 3.39Å; I374-I378 PolarHBondContact O-N 3.4Å; I374-L393 HydrophobicContact CG1-CD2 4.23Å; I374-N398 HydrophobicContact CD1-CB 4.18Å; I374-Y401 HydrophobicContact CD1-CD2 3.91Å; I374-Y401 HydrophobicContact CD1-CG 4.42Å; I374-L402 HydrophobicContact CB-CD2 4.34Å; I374-L402 HydrophobicContact CG1-CD1 4.45Å; I374-L402 HydrophobicContact CG1-CD2 4.15Å; I374-L402 HydrophobicContact CG1-CG 4.06Å; I374-L402 HydrophobicContact CG2-CD2 3.94Å |
| 375 | M | 95 | Very high | 93.4 | Very high | 98 Ų | 98 | 43.8 Ų | 43.8 | 48% | 0.483 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.8 | -33.8 | 176.1 | -71.2 | -57 | -60.3 | 0 | 0 | 113.1 | M339 A371 N373 I378 A379 | M339-M375 HydrophobicContact CE-CB 4.12Å; M339-M375 HydrophobicContact CE-CE 4.2Å; M339-M375 HydrophobicContact SD-CB 4.41Å; A371-M375 WeakPolarHBondContact O-CG 3.36Å; A371-M375 PolarHBondContact O-N 3.45Å; N373-M375 VanDerWaalsContact C-N 3.33Å; N373-M375 PolarHBondContact O-N 3.35Å; M375-I378 HydrophobicContact SD-CD1 4.23Å; M375-A379 WeakPolarHBondContact O-CB 3.4Å; M375-A379 PolarHBondContact O-N 2.79Å |
| 376 | R | 95.5 | Very high | 93.6 | Very high | 53 Ų | 53 | 46.4 Ų | 46.4 | 20% | 0.2 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 172.8 | -69.2 | 166.3 | -172.8 | 128.4 | 0.8 | 111.5 | V338 M339 I357 A372 N373 I374 A379 V380 | V338-R376 HydrophobicContact CG1-CB 4.44Å; M339-R376 HydrophobicContact SD-CG 4.32Å; I357-R376 HydrophobicContact CD1-CB 3.93Å; A372-R376 VanDerWaalsContact O-CG 3.27Å; A372-R376 WeakPolarHBondContact O-CG 3.17Å; A372-R376 PolarHBondContact O-N 2.77Å; A372-R376 VanDerWaalsContact O-N 3.08Å; N373-R376 WeakPolarHBondContact O-CB 3.3Å; N373-R376 PolarHBondContact O-N 2.82Å; N373-R376 VanDerWaalsContact O-N 3.09Å; N373-R376 PolarHBondContact OD1-NH1 3.37Å; I374-R376 VanDerWaalsContact C-N 3.29Å; I374-R376 PolarHBondContact O-N 3.41Å; R376-A379 PolarHBondContact O-N 2.93Å; R376-V380 WeakPolarHBondContact O-CG2 3.14Å; R376-V380 PolarHBondContact O-N 3.45Å |
| 377 | V | 95.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.1 | -50.8 | 174.6 | 175.4 | 0 | 0 | 0 | 0 | 110 | I357 N373 I374 A379 V380 K381 I389 V391 L402 W408 | I357-V377 HydrophobicContact CD1-CB 4.43Å; I357-V377 HydrophobicContact CD1-CG2 3.6Å; N373-V377 WeakPolarHBondContact O-CG2 3.25Å; N373-V377 PolarHBondContact O-N 3.13Å; I374-V377 WeakPolarHBondContact O-CB 3.29Å; I374-V377 PolarHBondContact O-N 3.25Å; I374-V377 VanDerWaalsContact O-N 3.13Å; V377-A379 VanDerWaalsContact C-N 3.33Å; V377-A379 PolarHBondContact O-N 2.98Å; V377-V380 PolarHBondContact O-N 3.23Å; V377-K381 HydrophobicContact CG1-CG 4.4Å; V377-K381 PolarHBondContact O-N 3.28Å; V377-I389 HydrophobicContact CG1-CD1 4.07Å; V377-I389 HydrophobicContact CG1-CG2 4.49Å; V377-I389 HydrophobicContact CG2-CG2 4.15Å; V377-V391 HydrophobicContact CG2-CB 4.02Å; V377-V391 HydrophobicContact CG2-CG1 4.26Å; V377-V391 HydrophobicContact CG2-CG2 3.93Å; V377-L402 HydrophobicContact CB-CD2 4.01Å; V377-L402 HydrophobicContact CG1-CD2 3.89Å; V377-L402 HydrophobicContact CG2-CD1 4.4Å; V377-L402 HydrophobicContact CG2-CD2 4.2Å; V377-W408 HydrophobicContact CG1-CE3 4.07Å; V377-W408 HydrophobicContact CG1-CZ3 4.01Å |
| 378 | I | 94.4 | Very high | 93.9 | Very high | 54 Ų | 54 | 44.8 Ų | 44.8 | 28% | 0.277 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.8 | -44.1 | 179.3 | -63.9 | 167.6 | 0 | 0 | 0 | 110.7 | I374 M375 V380 K381 N382 | I374-I378 HydrophobicContact CG2-CD1 4.13Å; I374-I378 WeakPolarHBondContact O-CG1 3.39Å; I374-I378 PolarHBondContact O-N 3.4Å; M375-I378 HydrophobicContact SD-CD1 4.23Å; I378-V380 PolarHBondContact O-N 2.94Å; I378-K381 PolarHBondContact O-N 2.72Å; I378-N382 WeakPolarHBondContact O-CB 3.38Å; I378-N382 PolarHBondContact O-N 3.49Å |
| 379 | A | 94.6 | Very high | 94 | Very high | 19 Ų | 19 | 38.1 Ų | 38.1 | 16% | 0.157 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.9 | -40.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | M339 M375 R376 V377 F383 | M339-A379 HydrophobicContact CE-CB 4.2Å; M339-A379 HydrophobicContact SD-CB 3.88Å; M375-A379 WeakPolarHBondContact O-CB 3.4Å; M375-A379 PolarHBondContact O-N 2.79Å; R376-A379 PolarHBondContact O-N 2.93Å; V377-A379 VanDerWaalsContact C-N 3.33Å; V377-A379 PolarHBondContact O-N 2.98Å; A379-F383 PolarHBondContact O-N 3.11Å |
| 380 | V | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.1 | -48 | 176.9 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | V338 M349 C355 R376 V377 I378 N382 F383 A384 I387 I389 | V338-V380 HydrophobicContact CG1-CG2 3.22Å; M349-V380 HydrophobicContact CE-CG1 4.34Å; M349-V380 HydrophobicContact CE-CG2 4.07Å; M349-V380 HydrophobicContact CG-CG1 4.29Å; M349-V380 HydrophobicContact SD-CG1 3.94Å; C355-V380 HydrophobicContact CB-CG1 4.31Å; R376-V380 WeakPolarHBondContact O-CG2 3.14Å; R376-V380 PolarHBondContact O-N 3.45Å; V377-V380 PolarHBondContact O-N 3.23Å; I378-V380 PolarHBondContact O-N 2.94Å; V380-N382 VanDerWaalsContact C-N 3.3Å; V380-N382 PolarHBondContact O-N 2.9Å; V380-F383 PolarHBondContact O-N 2.95Å; V380-F383 VanDerWaalsContact O-N 3.09Å; V380-A384 PolarHBondContact O-N 3.48Å; V380-I387 HydrophobicContact CG1-CG2 4.48Å; V380-I389 HydrophobicContact CB-CD1 3.88Å; V380-I389 HydrophobicContact CG1-CD1 3.74Å; V380-I389 HydrophobicContact CG1-CG1 4.29Å |
| 381 | K | 93.9 | Very high | 94.2 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -35 | 179.9 | -73.4 | -60.5 | -164.2 | 178.2 | 0 | 112.7 | V377 I378 F383 A384 S385 I387 I389 Y407 D414 | V377-K381 HydrophobicContact CG1-CG 4.4Å; V377-K381 PolarHBondContact O-N 3.28Å; I378-K381 PolarHBondContact O-N 2.72Å; K381-F383 VanDerWaalsContact C-N 3.31Å; K381-A384 CarbonylContact O-C 3.52Å; K381-S385 PolarHBondContact NZ-O 2.9Å; K381-S385 WeakPolarHBondContact O-CA 3.11Å; K381-S385 PolarHBondContact O-N 3.23Å; K381-I387 PolarHBondContact NZ-O 2.84Å; K381-I389 HydrophobicContact CD-CD1 3.68Å; K381-I389 HydrophobicContact CD-CG1 4.4Å; K381-I389 HydrophobicContact CG-CD1 3.58Å; K381-Y407 HydrophobicContact CB-CD1 4.47Å; K381-Y407 HydrophobicContact CB-CG 4.27Å; K381-Y407 WeakPolarHBondContact CE-O 3.44Å; K381-D414 WeakPolarHBondContact CE-OD2 3.34Å; K381-D414 IonicContact NZ-OD1 3.65Å; K381-D414 PolarHBondContact NZ-OD1 3.22Å; K381-D414 IonicContact NZ-OD2 3.51Å; K381-D414 PolarHBondContact NZ-OD2 3.21Å |
| 382 | N | 93.4 | Very high | 94.1 | Very high | 125 Ų | 125 | 35 Ų | 35 | 67% | 0.668 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -65.7 | -33.8 | 173.8 | -172.1 | 31.2 | 0 | 0 | 0 | 112.1 | I378 V380 | I378-N382 WeakPolarHBondContact O-CB 3.38Å; I378-N382 PolarHBondContact O-N 3.49Å; V380-N382 VanDerWaalsContact C-N 3.3Å; V380-N382 PolarHBondContact O-N 2.9Å |
| 383 | F | 94.2 | Very high | 94.1 | Very high | 47 Ų | 47 | 33.2 Ų | 33.2 | 21% | 0.206 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -77.8 | -42.9 | 175.2 | -179.4 | -92.8 | 0 | 0 | 0 | 112.8 | H341 L344 Q345 M349 D350 A379 V380 K381 | H341-F383 AromaticContact CD2-CD2 3.41Å; H341-F383 VanDerWaalsContact CD2-CD2 3.41Å; H341-F383 WeakPolarHBondContact CD2-CD2 3.46Å; H341-F383 AromaticContact CD2-CE2 3.76Å; H341-F383 AromaticContact CE1-CD2 3.91Å; H341-F383 AromaticContact CE1-CE2 3.45Å; H341-F383 VanDerWaalsContact CE1-CE2 3.45Å; H341-F383 WeakPolarHBondContact CE1-CE2 3.46Å; H341-F383 AromaticContact CG-CD2 3.96Å; H341-F383 AromaticContact ND1-CE2 3.82Å; H341-F383 AromaticContact NE2-CD2 3.37Å; H341-F383 WeakPolarHBondContact NE2-CD2 3.48Å; H341-F383 AromaticContact NE2-CE2 3.38Å; H341-F383 WeakPolarHBondContact NE2-CE2 3.4Å; L344-F383 HydrophobicContact CB-CD1 4.12Å; L344-F383 HydrophobicContact CB-CD2 3.98Å; L344-F383 HydrophobicContact CB-CE1 4.15Å; L344-F383 HydrophobicContact CB-CE2 3.98Å; L344-F383 HydrophobicContact CB-CG 4.05Å; L344-F383 HydrophobicContact CB-CZ 4.08Å; L344-F383 HydrophobicContact CD1-CB 3.5Å; L344-F383 HydrophobicContact CD1-CD1 4.2Å; L344-F383 HydrophobicContact CD1-CD2 3.87Å; L344-F383 HydrophobicContact CD1-CG 3.59Å; L344-F383 HydrophobicContact CG-CG 4.46Å; Q345-F383 HydrophobicContact CG-CE2 3.83Å; Q345-F383 HydrophobicContact CG-CZ 3.85Å; M349-F383 HydrophobicContact CB-CD1 3.93Å; M349-F383 HydrophobicContact CB-CE1 3.74Å; M349-F383 HydrophobicContact CG-CD1 3.92Å; M349-F383 HydrophobicContact CG-CE1 4.23Å; D350-F383 HydrophobicContact CB-CE1 4.31Å; A379-F383 PolarHBondContact O-N 3.11Å; V380-F383 PolarHBondContact O-N 2.95Å; V380-F383 VanDerWaalsContact O-N 3.09Å; K381-F383 VanDerWaalsContact C-N 3.31Å |
| 384 | A | 92.3 | Very high | 93.9 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | trans | -150.1 | 100.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V380 K381 H386 I387 | V380-A384 PolarHBondContact O-N 3.48Å; K381-A384 CarbonylContact O-C 3.52Å; A384-H386 PolarHBondContact O-N 3.29Å; A384-I387 HydrophobicContact CB-CD1 3.31Å; A384-I387 HydrophobicContact CB-CG1 3.76Å | ||
| 385 | S | 90.1 | Very high | 93.7 | Very high | 91 Ų | 91 | 33.9 Ų | 33.9 | 64% | 0.636 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -28.7 | -174.3 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | K381 I387 | K381-S385 PolarHBondContact NZ-O 2.9Å; K381-S385 WeakPolarHBondContact O-CA 3.11Å; K381-S385 PolarHBondContact O-N 3.23Å; S385-I387 VanDerWaalsContact C-N 3.32Å; S385-I387 PolarHBondContact O-N 3.12Å |
| 386 | H | 89.8 | Confident | 93.4 | Very high | 125 Ų | 125 | 30.2 Ų | 30.2 | 58% | 0.579 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -11.2 | -178 | 66 | -75.7 | 0 | 0 | 0 | 114.5 | D350 A384 | D350-H386 PolarHBondContact O-NE2 3.35Å; A384-H386 PolarHBondContact O-N 3.29Å |
| 387 | I | 92.4 | Very high | 93 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -72.4 | 133 | -177.4 | -67.6 | 175.1 | 0 | 0 | 0 | 110.1 | M349 C355 V380 K381 A384 S385 I389 | M349-I387 HydrophobicContact CB-CD1 4.44Å; M349-I387 HydrophobicContact CG-CD1 3.46Å; M349-I387 VanDerWaalsContact CG-CD1 3.46Å; M349-I387 WeakPolarHBondContact O-CD1 3.31Å; M349-I387 HydrophobicContact SD-CD1 3.7Å; C355-I387 HydrophobicContact CB-CG2 4.07Å; V380-I387 HydrophobicContact CG1-CG2 4.48Å; K381-I387 PolarHBondContact NZ-O 2.84Å; A384-I387 HydrophobicContact CB-CD1 3.31Å; A384-I387 HydrophobicContact CB-CG1 3.76Å; S385-I387 VanDerWaalsContact C-N 3.32Å; S385-I387 PolarHBondContact O-N 3.12Å; I387-I389 HydrophobicContact CG2-CG1 4.45Å |
| 388 | R | 93.9 | Very high | 92.8 | Very high | 45 Ų | 45 | 31.5 Ų | 31.5 | 17% | 0.17 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 126 | 169.9 | -174 | -179.8 | 178.7 | -156.7 | -1.7 | 110.7 | A354 C355 G413 E415 A1086 Y1087 | A354-R388 CarbonylContact C-O 3.58Å; A354-R388 VanDerWaalsContact CA-O 3.31Å; A354-R388 WeakPolarHBondContact CA-O 3.36Å; A354-R388 HydrophobicContact CB-CB 4.27Å; C355-R388 PolarHBondContact N-O 2.88Å; R388-G413 WeakPolarHBondContact CG-O 3.46Å; R388-G413 PolarHBondContact NE-O 3.17Å; R388-E415 IonicContact CZ-OE1 2.97Å; R388-E415 IonicContact NH2-OE1 3.83Å; R388-E415 PolarHBondContact NH2-OE1 3.44Å; R388-A1086 PolarHBondContact NH2-O 3.1Å; R388-Y1087 PolarHBondContact NH1-O 2.99Å |
| 389 | I | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.8 | 178.3 | -58.3 | -176.8 | 0 | 0 | 0 | 110.8 | C355 I357 V377 V380 K381 I387 V391 D414 E415 | C355-I389 HydrophobicContact CB-CG1 4.44Å; C355-I389 WeakPolarHBondContact O-CA 3.34Å; I357-I389 HydrophobicContact CD1-CG2 4.08Å; I357-I389 HydrophobicContact CG1-CG2 4.28Å; V377-I389 HydrophobicContact CG1-CD1 4.07Å; V377-I389 HydrophobicContact CG1-CG2 4.49Å; V377-I389 HydrophobicContact CG2-CG2 4.15Å; V380-I389 HydrophobicContact CB-CD1 3.88Å; V380-I389 HydrophobicContact CG1-CD1 3.74Å; V380-I389 HydrophobicContact CG1-CG1 4.29Å; K381-I389 HydrophobicContact CD-CD1 3.68Å; K381-I389 HydrophobicContact CD-CG1 4.4Å; K381-I389 HydrophobicContact CG-CD1 3.58Å; I387-I389 HydrophobicContact CG2-CG1 4.45Å; I389-V391 HydrophobicContact CG2-CB 4.48Å; I389-D414 PolarHBondContact N-OD1 2.81Å; I389-D414 VanDerWaalsContact O-CA 3.32Å; I389-D414 WeakPolarHBondContact O-CA 3.46Å; I389-E415 PolarHBondContact O-N 2.94Å |
| 390 | I | 95 | Very high | 92.3 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 112.7 | 171.1 | -57.6 | 170.7 | 0 | 0 | 0 | 107.2 | C355 L356 I357 E415 I417 A1086 | C355-I390 PolarHBondContact O-N 2.79Å; L356-I390 CarbonylContact C-O 3.6Å; L356-I390 WeakPolarHBondContact CA-O 3.45Å; L356-I390 HydrophobicContact CG-CB 4.34Å; L356-I390 HydrophobicContact CG-CD1 4.49Å; I357-I390 PolarHBondContact N-O 3.4Å; I390-E415 WeakPolarHBondContact CA-O 3.49Å; I390-E415 HydrophobicContact CG1-CB 4.47Å; I390-I417 HydrophobicContact CG2-CD1 3.84Å; I390-I417 HydrophobicContact CG2-CG1 4.42Å; I390-A1086 HydrophobicContact CD1-CB 4.07Å; I390-A1086 HydrophobicContact CG2-CB 4.09Å |
| 391 | V | 95.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.1 | -175.1 | 60.6 | 0 | 0 | 0 | 0 | 111.1 | I357 N373 V377 I389 L393 L402 W408 E415 I416 I417 | I357-V391 HydrophobicContact CB-CB 4.28Å; I357-V391 HydrophobicContact CB-CG2 4.06Å; I357-V391 HydrophobicContact CG2-CG2 4.32Å; N373-V391 HydrophobicContact CB-CG2 4.16Å; V377-V391 HydrophobicContact CG2-CB 4.02Å; V377-V391 HydrophobicContact CG2-CG1 4.26Å; V377-V391 HydrophobicContact CG2-CG2 3.93Å; I389-V391 HydrophobicContact CG2-CB 4.48Å; V391-L393 HydrophobicContact CG2-CD2 4.08Å; V391-L393 HydrophobicContact CG2-CG 4.43Å; V391-L402 HydrophobicContact CG1-CD1 3.63Å; V391-W408 HydrophobicContact CG1-CH2 3.78Å; V391-W408 HydrophobicContact CG1-CZ3 4.01Å; V391-E415 PolarHBondContact N-O 3.34Å; V391-I416 HydrophobicContact CG1-CB 4.46Å; V391-I416 HydrophobicContact CG1-CG1 4.2Å; V391-I416 HydrophobicContact CG1-CG2 4.32Å; V391-I417 PolarHBondContact O-N 3.41Å |
| 392 | Q | 95 | Very high | 92.1 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126.7 | 169 | -67.8 | 177.6 | -30.7 | 0 | 0 | 109.8 | I357 L358 A359 N373 I417 F419 | I357-Q392 PolarHBondContact O-N 2.53Å; L358-Q392 VanDerWaalsContact CA-OE1 3.27Å; A359-Q392 HydrophobicContact CB-CB 3.77Å; A359-Q392 PolarHBondContact O-OE1 3.25Å; N373-Q392 PolarHBondContact ND2-O 3.31Å; Q392-I417 WeakPolarHBondContact CA-O 3.29Å; Q392-I417 HydrophobicContact CG-CB 4.28Å; Q392-F419 HydrophobicContact CB-CE1 4.03Å; Q392-F419 HydrophobicContact CB-CZ 4.47Å; Q392-F419 HydrophobicContact CG-CE1 3.87Å; Q392-F419 HydrophobicContact CG-CZ 4.34Å |
| 393 | L | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 148.8 | 171.5 | -63.4 | -176.3 | 0 | 0 | 0 | 109.6 | D370 N373 I374 V391 K399 L402 I416 I417 C418 F419 | D370-L393 HydrophobicContact CB-CD2 4.19Å; D370-L393 WeakPolarHBondContact OD1-CA 3.39Å; N373-L393 HydrophobicContact CB-CD2 4.16Å; I374-L393 HydrophobicContact CG1-CD2 4.23Å; V391-L393 HydrophobicContact CG2-CD2 4.08Å; V391-L393 HydrophobicContact CG2-CG 4.43Å; L393-K399 HydrophobicContact CD1-CB 4.37Å; L393-L402 HydrophobicContact CD1-CD1 3.97Å; L393-I416 HydrophobicContact CB-CG2 4.49Å; L393-I416 HydrophobicContact CD1-CG2 3.76Å; L393-I416 HydrophobicContact CG-CG2 4.04Å; L393-I417 PolarHBondContact N-O 3.11Å; L393-C418 CarbonylContact O-C 3.58Å; L393-C418 WeakPolarHBondContact O-CA 3.31Å; L393-F419 PolarHBondContact O-N 3.43Å |
| 394 | L | 92.3 | Very high | 91.5 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -91.5 | -39.7 | -177.5 | -62 | 174.2 | 0 | 0 | 0 | 112.1 | A359 T363 P366 T369 D370 F419 S420 | A359-L394 HydrophobicContact CB-CD2 4.1Å; A359-L394 HydrophobicContact CB-CG 4.22Å; T363-L394 HydrophobicContact CG2-CD1 3.29Å; P366-L394 HydrophobicContact CB-CB 3.93Å; P366-L394 HydrophobicContact CB-CD1 3.8Å; T369-L394 HydrophobicContact CG2-CD1 4.16Å; D370-L394 VanDerWaalsContact CG-N 3.34Å; D370-L394 WeakPolarHBondContact OD1-CB 3.29Å; D370-L394 PolarHBondContact OD1-N 3.17Å; D370-L394 PolarHBondContact OD2-N 3.16Å; L394-F419 HydrophobicContact CD2-CB 4.44Å; L394-F419 HydrophobicContact CD2-CD2 3.79Å; L394-F419 HydrophobicContact CD2-CE2 4.34Å; L394-F419 HydrophobicContact CD2-CG 4.24Å; L394-S420 VanDerWaalsContact O-CB 3.29Å; L394-S420 WeakPolarHBondContact O-CB 3.32Å; L394-S420 PolarHBondContact O-N 3.35Å; L394-S420 PolarHBondContact O-OG 3.31Å; L394-S420 VanDerWaalsContact O-OG 3.07Å |
| 395 | Q | 90.9 | Very high | 91.2 | Very high | 14 Ų | 14 | 33.9 Ų | 33.9 | 7% | 0.065 | 17% | 0.173 | C | C | . | . | trans | -108.9 | 139.1 | -176.9 | -65.4 | -65.8 | -21.7 | 0 | 0 | 112.1 | P366 Y367 D370 E397 N398 L911 | P366-Q395 HydrophobicContact CB-CG 4.12Å; P366-Q395 HydrophobicContact CG-CG 4.4Å; Y367-Q395 HydrophobicContact CD1-CG 4.35Å; Y367-Q395 HydrophobicContact CE1-CG 4.1Å; D370-Q395 PolarHBondContact OD2-N 2.93Å; Q395-E397 VanDerWaalsContact C-N 3.31Å; Q395-E397 PolarHBondContact O-N 2.7Å; Q395-N398 PolarHBondContact O-N 2.88Å; Q395-L911 PolarHBondContact NE2-O 2.95Å; Q395-L911 PolarHBondContact OE1-O 2.77Å; Q395-L911 VanDerWaalsContact OE1-O 3.11Å | ||
| 396 | T | 87.9 | Confident | 91 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 13% | 0.129 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -31.4 | 179.7 | -46.8 | 0 | 0 | 0 | 0 | 111.9 | N398 K399 C418 S420 H915 S916 | T396-N398 VanDerWaalsContact C-N 3.35Å; T396-N398 PolarHBondContact O-N 3.28Å; T396-K399 WeakPolarHBondContact O-CB 3.21Å; T396-K399 PolarHBondContact O-N 3.4Å; T396-C418 VanDerWaalsContact CA-SG 3.53Å; T396-S420 PolarHBondContact N-OG 3.04Å; T396-S420 PolarHBondContact OG1-OG 3.24Å; T396-H915 WeakPolarHBondContact CG2-NE2 3.45Å; T396-S916 PolarHBondContact OG1-OG 3.42Å |
| 397 | E | 86.9 | Confident | 90.6 | Very high | 71 Ų | 71 | 34.7 Ų | 34.7 | 33% | 0.332 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -39.6 | 179.9 | -63 | 173.2 | 172 | 0 | 0 | 112 | Q395 K399 A400 L911 N949 | Q395-E397 VanDerWaalsContact C-N 3.31Å; Q395-E397 PolarHBondContact O-N 2.7Å; E397-K399 PolarHBondContact O-N 3.35Å; E397-A400 WeakPolarHBondContact O-CB 3.42Å; E397-A400 PolarHBondContact O-N 3.06Å; E397-L911 VanDerWaalsContact OE1-CD1 3.28Å; E397-L911 WeakPolarHBondContact OE1-CD1 3.33Å; E397-N949 PolarHBondContact OE1-ND2 3.36Å |
| 398 | N | 91.4 | Very high | 90.3 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -17.4 | -178.7 | -68.1 | -30.3 | 0 | 0 | 0 | 113.2 | D370 I374 Q395 T396 A400 Y401 | D370-N398 HydrophobicContact CB-CB 3.95Å; D370-N398 WeakPolarHBondContact CB-ND2 3.46Å; D370-N398 PolarHBondContact OD2-ND2 3.47Å; I374-N398 HydrophobicContact CD1-CB 4.18Å; Q395-N398 PolarHBondContact O-N 2.88Å; T396-N398 VanDerWaalsContact C-N 3.35Å; T396-N398 PolarHBondContact O-N 3.28Å; N398-A400 PolarHBondContact O-N 3.44Å; N398-Y401 HydrophobicContact CB-CD2 4.28Å; N398-Y401 WeakPolarHBondContact O-CD2 3.49Å; N398-Y401 PolarHBondContact O-N 3.13Å |
| 399 | K | 90.5 | Very high | 89.8 | Confident | 10 Ų | 10 | 36.5 Ų | 36.5 | 4% | 0.043 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.1 | -34.6 | 175.4 | -173.6 | -177.8 | -174.6 | 174 | 0 | 112.2 | L393 T396 E397 Y401 L402 L403 I416 E421 E1109 | L393-K399 HydrophobicContact CD1-CB 4.37Å; T396-K399 WeakPolarHBondContact O-CB 3.21Å; T396-K399 PolarHBondContact O-N 3.4Å; E397-K399 PolarHBondContact O-N 3.35Å; K399-Y401 PolarHBondContact O-N 3.24Å; K399-L402 PolarHBondContact O-N 2.94Å; K399-L402 VanDerWaalsContact O-N 3.12Å; K399-L403 HydrophobicContact CD-CD1 4.36Å; K399-L403 HydrophobicContact CG-CD1 4.03Å; K399-L403 HydrophobicContact CG-CG 4.33Å; K399-L403 PolarHBondContact O-N 3.14Å; K399-I416 HydrophobicContact CG-CD1 3.89Å; K399-I416 HydrophobicContact CG-CG2 4.21Å; K399-E421 IonicContact NZ-OE1 3.46Å; K399-E421 IonicContact NZ-OE2 2.87Å; K399-E421 PolarHBondContact NZ-OE2 2.97Å; K399-E1109 WeakPolarHBondContact CE-OE2 3.32Å; K399-E1109 IonicContact NZ-OE1 3.33Å; K399-E1109 PolarHBondContact NZ-OE1 3.44Å; K399-E1109 IonicContact NZ-OE2 3.56Å; K399-E1109 PolarHBondContact NZ-OE2 3.26Å |
| 400 | A | 88.5 | Confident | 89.1 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 20% | 0.198 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.5 | -34.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | E397 N398 L402 L403 N404 A1113 | E397-A400 WeakPolarHBondContact O-CB 3.42Å; E397-A400 PolarHBondContact O-N 3.06Å; N398-A400 PolarHBondContact O-N 3.44Å; A400-L402 VanDerWaalsContact C-N 3.32Å; A400-L402 PolarHBondContact O-N 2.91Å; A400-L403 PolarHBondContact O-N 3.15Å; A400-N404 WeakPolarHBondContact O-CB 3.44Å; A400-N404 VanDerWaalsContact O-CG 3.28Å; A400-N404 PolarHBondContact O-N 2.87Å; A400-N404 PolarHBondContact O-ND2 3.37Å; A400-A1113 HydrophobicContact CB-CB 3.68Å |
| 401 | Y | 91.9 | Very high | 88.1 | Confident | 147 Ų | 147 | 48 Ų | 48 | 58% | 0.576 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -64.4 | -33 | 179.3 | -60.5 | -58.5 | 0 | 0 | 0 | 113.8 | I374 N398 K399 | I374-Y401 HydrophobicContact CD1-CD2 3.91Å; I374-Y401 HydrophobicContact CD1-CG 4.42Å; N398-Y401 HydrophobicContact CB-CD2 4.28Å; N398-Y401 WeakPolarHBondContact O-CD2 3.49Å; N398-Y401 PolarHBondContact O-N 3.13Å; K399-Y401 PolarHBondContact O-N 3.24Å |
| 402 | L | 92.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -80 | -41.4 | 176 | -69.2 | -178.9 | 0 | 0 | 0 | 111.4 | I374 V377 V391 L393 K399 A400 N404 S405 W408 I416 | I374-L402 HydrophobicContact CB-CD2 4.34Å; I374-L402 HydrophobicContact CG1-CD1 4.45Å; I374-L402 HydrophobicContact CG1-CD2 4.15Å; I374-L402 HydrophobicContact CG1-CG 4.06Å; I374-L402 HydrophobicContact CG2-CD2 3.94Å; V377-L402 HydrophobicContact CB-CD2 4.01Å; V377-L402 HydrophobicContact CG1-CD2 3.89Å; V377-L402 HydrophobicContact CG2-CD1 4.4Å; V377-L402 HydrophobicContact CG2-CD2 4.2Å; V391-L402 HydrophobicContact CG1-CD1 3.63Å; L393-L402 HydrophobicContact CD1-CD1 3.97Å; K399-L402 PolarHBondContact O-N 2.94Å; K399-L402 VanDerWaalsContact O-N 3.12Å; A400-L402 VanDerWaalsContact C-N 3.32Å; A400-L402 PolarHBondContact O-N 2.91Å; L402-N404 VanDerWaalsContact C-N 3.31Å; L402-N404 PolarHBondContact O-N 2.66Å; L402-S405 WeakPolarHBondContact O-CB 3.21Å; L402-S405 PolarHBondContact O-N 2.91Å; L402-W408 HydrophobicContact CB-CD2 4.38Å; L402-W408 HydrophobicContact CB-CE3 4.32Å; L402-W408 HydrophobicContact CD1-CE3 4.44Å; L402-W408 HydrophobicContact CD1-CZ3 4.22Å; L402-W408 HydrophobicContact CD2-CE3 4.48Å; L402-W408 WeakPolarHBondContact O-CB 3.25Å; L402-I416 HydrophobicContact CB-CD1 3.78Å; L402-I416 HydrophobicContact CD1-CD1 4.01Å; L402-I416 HydrophobicContact CD1-CG1 4.26Å |
| 403 | L | 88.2 | Confident | 86.6 | Confident | 30 Ų | 30 | 51 Ų | 51 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 178.3 | -71.5 | 178.2 | 0 | 0 | 0 | 112.1 | K399 A400 S405 I416 E1109 Q1110 A1113 | K399-L403 HydrophobicContact CD-CD1 4.36Å; K399-L403 HydrophobicContact CG-CD1 4.03Å; K399-L403 HydrophobicContact CG-CG 4.33Å; K399-L403 PolarHBondContact O-N 3.14Å; A400-L403 PolarHBondContact O-N 3.15Å; L403-S405 PolarHBondContact O-N 3.06Å; L403-I416 HydrophobicContact CD2-CD1 4.21Å; L403-I416 HydrophobicContact CG-CD1 4.27Å; L403-E1109 HydrophobicContact CD1-CB 3.9Å; L403-Q1110 PolarHBondContact O-OE1 2.65Å; L403-A1113 HydrophobicContact CB-CB 4.05Å; L403-A1113 HydrophobicContact CD1-CB 4.04Å |
| 404 | N | 86.7 | Confident | 86.5 | Confident | 77 Ų | 77 | 51.2 Ų | 51.2 | 41% | 0.412 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 0.9 | 175.7 | -62.7 | -20.1 | 0 | 0 | 0 | 113.4 | A400 L402 Q1110 A1113 | A400-N404 WeakPolarHBondContact O-CB 3.44Å; A400-N404 VanDerWaalsContact O-CG 3.28Å; A400-N404 PolarHBondContact O-N 2.87Å; A400-N404 PolarHBondContact O-ND2 3.37Å; L402-N404 VanDerWaalsContact C-N 3.31Å; L402-N404 PolarHBondContact O-N 2.66Å; N404-Q1110 PolarHBondContact OD1-NE2 2.87Å; N404-A1113 PolarHBondContact ND2-O 3.41Å |
| 405 | S | 86.8 | Confident | 86.4 | Confident | 20 Ų | 20 | 51.5 Ų | 51.5 | 14% | 0.14 | 26% | 0.255 | C | S | . | . | trans | -84.7 | 131.4 | 179.7 | -166.4 | 0 | 0 | 0 | 0 | 110.8 | L402 L403 Y407 W408 | L402-S405 WeakPolarHBondContact O-CB 3.21Å; L402-S405 PolarHBondContact O-N 2.91Å; L403-S405 PolarHBondContact O-N 3.06Å; S405-Y407 PolarHBondContact O-N 3.49Å; S405-Y407 VanDerWaalsContact O-N 3.11Å; S405-W408 PolarHBondContact O-N 3.42Å; S405-W408 VanDerWaalsContact O-N 3.12Å | ||
| 406 | P | 85.2 | Confident | 86.5 | Confident | 120 Ų | 120 | 51.5 Ų | 51.5 | 78% | 0.779 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19.1 | 178.6 | 28 | -36.1 | 0 | 0 | 0 | 112.9 | W408 | P406-W408 VanDerWaalsContact C-N 3.32Š|
| 407 | Y | 82.2 | Confident | 86.7 | Confident | 114 Ų | 114 | 50.5 Ų | 50.5 | 45% | 0.447 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -13 | 179.6 | -55.7 | -68.1 | 0 | 0 | 0 | 113.7 | K381 S405 | K381-Y407 HydrophobicContact CB-CD1 4.47Å; K381-Y407 HydrophobicContact CB-CG 4.27Å; K381-Y407 WeakPolarHBondContact CE-O 3.44Å; S405-Y407 PolarHBondContact O-N 3.49Å; S405-Y407 VanDerWaalsContact O-N 3.11Å |
| 408 | W | 85.4 | Confident | 87 | Confident | 25 Ų | 25 | 47.2 Ų | 47.2 | 10% | 0.095 | 23% | 0.234 | C | C | . | . | trans | -88.6 | 113.4 | -175.1 | -170.9 | -96 | 0 | 0 | 0 | 110.3 | V377 V391 L402 S405 P406 D414 I416 | V377-W408 HydrophobicContact CG1-CE3 4.07Å; V377-W408 HydrophobicContact CG1-CZ3 4.01Å; V391-W408 HydrophobicContact CG1-CH2 3.78Å; V391-W408 HydrophobicContact CG1-CZ3 4.01Å; L402-W408 HydrophobicContact CB-CD2 4.38Å; L402-W408 HydrophobicContact CB-CE3 4.32Å; L402-W408 HydrophobicContact CD1-CE3 4.44Å; L402-W408 HydrophobicContact CD1-CZ3 4.22Å; L402-W408 HydrophobicContact CD2-CE3 4.48Å; L402-W408 WeakPolarHBondContact O-CB 3.25Å; S405-W408 PolarHBondContact O-N 3.42Å; S405-W408 VanDerWaalsContact O-N 3.12Å; P406-W408 VanDerWaalsContact C-N 3.32Å; W408-D414 HydrophobicContact CD2-CB 4.04Å; W408-D414 HydrophobicContact CE3-CB 4.16Å; W408-D414 HydrophobicContact CH2-CB 3.66Å; W408-D414 HydrophobicContact CZ2-CB 3.49Å; W408-D414 VanDerWaalsContact CZ2-CB 3.49Å; W408-D414 HydrophobicContact CZ3-CB 4Å; W408-I416 HydrophobicContact CH2-CD1 4.43Å; W408-I416 HydrophobicContact CH2-CG1 3.58Å; W408-I416 HydrophobicContact CZ2-CB 4.41Å; W408-I416 HydrophobicContact CZ2-CD1 3.89Å; W408-I416 HydrophobicContact CZ2-CG1 3.17Å; W408-I416 HydrophobicContact CZ3-CG1 4.45Å | ||
| 409 | N | 84.2 | Confident | 87 | Confident | 61 Ų | 61 | 47 Ų | 47 | 33% | 0.326 | 23% | 0.233 | S | C | . | . | trans | -122.3 | 99 | 178.8 | -169.1 | -15 | 0 | 0 | 0 | 110.9 | E411 C412 D414 | N409-E411 VanDerWaalsContact C-N 3.25Å; N409-E411 PolarHBondContact O-N 3.04Å; N409-E411 WeakPolarHBondContact OD1-CA 3.32Å; N409-E411 VanDerWaalsContact OD1-CB 3.26Å; N409-E411 WeakPolarHBondContact OD1-CB 3.18Å; N409-E411 PolarHBondContact OD1-N 3.49Å; N409-C412 HydrophobicContact CB-CB 4.08Å; N409-C412 PolarHBondContact ND2-SG 2.85Å; N409-C412 PolarHBondContact O-N 2.88Å; N409-C412 PolarHBondContact OD1-N 3.32Å; N409-D414 PolarHBondContact N-OD2 3.31Å; N409-D414 VanDerWaalsContact N-OD2 3.11Å; N409-D414 WeakPolarHBondContact O-CB 3.3Å; N409-D414 PolarHBondContact O-N 3.37Å | ||
| 410 | W | 80.5 | Confident | 87 | Confident | 143 Ų | 143 | 46.9 Ų | 46.9 | 54% | 0.542 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -31 | 174.6 | 62.9 | -76.1 | 0 | 0 | 0 | 111.8 | C412 G413 R1090 | W410-C412 VanDerWaalsContact C-N 3.32Å; W410-C412 PolarHBondContact O-N 3.41Å; W410-G413 PolarHBondContact O-N 3.07Å; W410-G413 VanDerWaalsContact O-N 3.1Å; W410-R1090 PolarHBondContact O-NH1 3.46Å; W410-R1090 PolarHBondContact O-NH2 3.39Å |
| 411 | E | 75 | Confident | 87.1 | Confident | 100 Ų | 100 | 46.3 Ų | 46.3 | 47% | 0.467 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -39.6 | 175.3 | -58.1 | -165.9 | 161.9 | 0 | 0 | 111.4 | N409 G413 K679 R1090 | N409-E411 VanDerWaalsContact C-N 3.25Å; N409-E411 PolarHBondContact O-N 3.04Å; N409-E411 WeakPolarHBondContact OD1-CA 3.32Å; N409-E411 VanDerWaalsContact OD1-CB 3.26Å; N409-E411 WeakPolarHBondContact OD1-CB 3.18Å; N409-E411 PolarHBondContact OD1-N 3.49Å; E411-G413 PolarHBondContact O-N 3.17Å; E411-G413 VanDerWaalsContact O-N 3.15Å; E411-K679 IonicContact OE1-NZ 2.82Å; E411-K679 IonicContact OE2-NZ 2.83Å; E411-K679 PolarHBondContact OE2-NZ 3.18Å; E411-R1090 PolarHBondContact O-NH1 3.21Å |
| 412 | C | 77.2 | Confident | 87.1 | Confident | 62 Ų | 62 | 39.4 Ų | 39.4 | 42% | 0.419 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -4.7 | 175.8 | -69.8 | 0 | 0 | 0 | 0 | 114.7 | N409 W410 | N409-C412 HydrophobicContact CB-CB 4.08Å; N409-C412 PolarHBondContact ND2-SG 2.85Å; N409-C412 PolarHBondContact O-N 2.88Å; N409-C412 PolarHBondContact OD1-N 3.32Å; W410-C412 VanDerWaalsContact C-N 3.32Å; W410-C412 PolarHBondContact O-N 3.41Å |
| 413 | G | 81.7 | Confident | 87.1 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 13.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | R388 W410 E411 E415 R1090 | R388-G413 WeakPolarHBondContact CG-O 3.46Å; R388-G413 PolarHBondContact NE-O 3.17Å; W410-G413 PolarHBondContact O-N 3.07Å; W410-G413 VanDerWaalsContact O-N 3.1Å; E411-G413 PolarHBondContact O-N 3.17Å; E411-G413 VanDerWaalsContact O-N 3.15Å; G413-E415 PolarHBondContact O-N 3.28Å; G413-R1090 VanDerWaalsContact CA-NH1 3.28Å |
| 414 | D | 90.8 | Very high | 87.4 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.027 | 20% | 0.197 | C | C | . | . | trans | -66.1 | 128.8 | 170.4 | -63.6 | -32.4 | 0 | 0 | 0 | 110 | K381 I389 W408 N409 | K381-D414 WeakPolarHBondContact CE-OD2 3.34Å; K381-D414 IonicContact NZ-OD1 3.65Å; K381-D414 PolarHBondContact NZ-OD1 3.22Å; K381-D414 IonicContact NZ-OD2 3.51Å; K381-D414 PolarHBondContact NZ-OD2 3.21Å; I389-D414 PolarHBondContact N-OD1 2.81Å; I389-D414 VanDerWaalsContact O-CA 3.32Å; I389-D414 WeakPolarHBondContact O-CA 3.46Å; W408-D414 HydrophobicContact CD2-CB 4.04Å; W408-D414 HydrophobicContact CE3-CB 4.16Å; W408-D414 HydrophobicContact CH2-CB 3.66Å; W408-D414 HydrophobicContact CZ2-CB 3.49Å; W408-D414 VanDerWaalsContact CZ2-CB 3.49Å; W408-D414 HydrophobicContact CZ3-CB 4Å; N409-D414 PolarHBondContact N-OD2 3.31Å; N409-D414 VanDerWaalsContact N-OD2 3.11Å; N409-D414 WeakPolarHBondContact O-CB 3.3Å; N409-D414 PolarHBondContact O-N 3.37Å | ||
| 415 | E | 91 | Very high | 87.7 | Confident | 20 Ų | 20 | 35.6 Ų | 35.6 | 9% | 0.093 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.5 | -173.4 | -76 | 176.8 | -138 | 0 | 0 | 112.3 | R388 I389 I390 V391 G413 A1086 R1090 | R388-E415 IonicContact CZ-OE1 2.97Å; R388-E415 IonicContact NH2-OE1 3.83Å; R388-E415 PolarHBondContact NH2-OE1 3.44Å; I389-E415 PolarHBondContact O-N 2.94Å; I390-E415 WeakPolarHBondContact CA-O 3.49Å; I390-E415 HydrophobicContact CG1-CB 4.47Å; V391-E415 PolarHBondContact N-O 3.34Å; G413-E415 PolarHBondContact O-N 3.28Å; E415-A1086 VanDerWaalsContact OE2-CB 3.22Å; E415-A1086 WeakPolarHBondContact OE2-CB 3.11Å; E415-R1090 WeakPolarHBondContact OE1-CB 3.31Å; E415-R1090 WeakPolarHBondContact OE1-CG 3.43Å |
| 416 | I | 92.5 | Very high | 88 | Confident | 14 Ų | 14 | 34.7 Ų | 34.7 | 7% | 0.072 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 119.6 | 174.7 | -48.1 | 178.4 | 0 | 0 | 0 | 108.6 | V391 L393 K399 L402 L403 W408 | V391-I416 HydrophobicContact CG1-CB 4.46Å; V391-I416 HydrophobicContact CG1-CG1 4.2Å; V391-I416 HydrophobicContact CG1-CG2 4.32Å; L393-I416 HydrophobicContact CB-CG2 4.49Å; L393-I416 HydrophobicContact CD1-CG2 3.76Å; L393-I416 HydrophobicContact CG-CG2 4.04Å; K399-I416 HydrophobicContact CG-CD1 3.89Å; K399-I416 HydrophobicContact CG-CG2 4.21Å; L402-I416 HydrophobicContact CB-CD1 3.78Å; L402-I416 HydrophobicContact CD1-CD1 4.01Å; L402-I416 HydrophobicContact CD1-CG1 4.26Å; L403-I416 HydrophobicContact CD2-CD1 4.21Å; L403-I416 HydrophobicContact CG-CD1 4.27Å; W408-I416 HydrophobicContact CH2-CD1 4.43Å; W408-I416 HydrophobicContact CH2-CG1 3.58Å; W408-I416 HydrophobicContact CZ2-CB 4.41Å; W408-I416 HydrophobicContact CZ2-CD1 3.89Å; W408-I416 HydrophobicContact CZ2-CG1 3.17Å; W408-I416 HydrophobicContact CZ3-CG1 4.45Å |
| 417 | I | 92.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 99.7 | 172.3 | -57.7 | 174.6 | 0 | 0 | 0 | 107.4 | I390 V391 Q392 L393 F419 L422 L1082 A1083 A1086 M1093 | I390-I417 HydrophobicContact CG2-CD1 3.84Å; I390-I417 HydrophobicContact CG2-CG1 4.42Å; V391-I417 PolarHBondContact O-N 3.41Å; Q392-I417 WeakPolarHBondContact CA-O 3.29Å; Q392-I417 HydrophobicContact CG-CB 4.28Å; L393-I417 PolarHBondContact N-O 3.11Å; I417-F419 HydrophobicContact CG2-CD1 4.3Å; I417-F419 HydrophobicContact CG2-CE1 4.2Å; I417-L422 HydrophobicContact CG2-CD1 3.81Å; I417-L1082 HydrophobicContact CD1-CB 4.12Å; I417-L1082 WeakPolarHBondContact CD1-O 3.48Å; I417-L1082 HydrophobicContact CG2-CB 4.25Å; I417-L1082 HydrophobicContact CG2-CD1 4.43Å; I417-A1083 HydrophobicContact CD1-CB 4.23Å; I417-A1086 HydrophobicContact CD1-CB 4.08Å; I417-M1093 HydrophobicContact CG1-CE 4.48Å |
| 418 | C | 92.3 | Very high | 89 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 118.2 | 178.2 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | L393 T396 S420 E421 L422 | L393-C418 CarbonylContact O-C 3.58Å; L393-C418 WeakPolarHBondContact O-CA 3.31Å; T396-C418 VanDerWaalsContact CA-SG 3.53Å; C418-S420 PolarHBondContact SG-OG 3.01Å; C418-E421 HydrophobicContact CB-CB 3.83Å; C418-L422 WeakPolarHBondContact O-CG 3.18Å; C418-L422 PolarHBondContact O-N 2.94Å; C418-L422 VanDerWaalsContact O-N 3.12Å |
| 419 | F | 91.9 | Very high | 89.4 | Confident | 10 Ų | 10 | 22.7 Ų | 22.7 | 4% | 0.044 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.1 | -46.2 | -175.1 | -79.5 | 21.4 | 0 | 0 | 0 | 111.8 | A361 Q392 L393 L394 I417 E421 K423 L1079 D1080 | A361-F419 HydrophobicContact CB-CD2 4.21Å; A361-F419 HydrophobicContact CB-CE2 4.19Å; Q392-F419 HydrophobicContact CB-CE1 4.03Å; Q392-F419 HydrophobicContact CB-CZ 4.47Å; Q392-F419 HydrophobicContact CG-CE1 3.87Å; Q392-F419 HydrophobicContact CG-CZ 4.34Å; L393-F419 PolarHBondContact O-N 3.43Å; L394-F419 HydrophobicContact CD2-CB 4.44Å; L394-F419 HydrophobicContact CD2-CD2 3.79Å; L394-F419 HydrophobicContact CD2-CE2 4.34Å; L394-F419 HydrophobicContact CD2-CG 4.24Å; I417-F419 HydrophobicContact CG2-CD1 4.3Å; I417-F419 HydrophobicContact CG2-CE1 4.2Å; F419-E421 PolarHBondContact O-N 2.84Å; F419-K423 WeakPolarHBondContact O-CB 3.35Å; F419-K423 PolarHBondContact O-N 2.93Å; F419-L1079 HydrophobicContact CB-CD1 4.12Å; F419-L1079 HydrophobicContact CD1-CB 4.24Å; F419-L1079 HydrophobicContact CD1-CD1 4.37Å; F419-L1079 HydrophobicContact CD2-CD1 4.35Å; F419-L1079 HydrophobicContact CE1-CB 4.05Å; F419-L1079 HydrophobicContact CE2-CB 4.47Å; F419-L1079 HydrophobicContact CG-CD1 4.04Å; F419-L1079 HydrophobicContact CZ-CB 4.18Å; F419-D1080 WeakPolarHBondContact CZ-OD1 3.43Å |
| 420 | S | 90.8 | Very high | 89.8 | Confident | 6 Ų | 6 | 19.8 Ų | 19.8 | 4% | 0.042 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 177.4 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | L394 T396 C418 L424 | L394-S420 VanDerWaalsContact O-CB 3.29Å; L394-S420 WeakPolarHBondContact O-CB 3.32Å; L394-S420 PolarHBondContact O-N 3.35Å; L394-S420 PolarHBondContact O-OG 3.31Å; L394-S420 VanDerWaalsContact O-OG 3.07Å; T396-S420 PolarHBondContact N-OG 3.04Å; T396-S420 PolarHBondContact OG1-OG 3.24Å; C418-S420 PolarHBondContact SG-OG 3.01Å; S420-L424 VanDerWaalsContact O-CB 3.25Å; S420-L424 WeakPolarHBondContact O-CB 3.47Å; S420-L424 VanDerWaalsContact O-CG 3.29Å; S420-L424 WeakPolarHBondContact O-CG 3.36Å; S420-L424 PolarHBondContact O-N 2.83Å |
| 421 | E | 91 | Very high | 90.4 | Very high | 12 Ų | 12 | 13 Ų | 13 | 6% | 0.056 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -59.2 | -55 | 178.9 | -178.8 | -171.5 | 159.5 | 0 | 0 | 111.6 | K399 C418 F419 G425 R1097 T1101 | K399-E421 IonicContact NZ-OE1 3.46Å; K399-E421 IonicContact NZ-OE2 2.87Å; K399-E421 PolarHBondContact NZ-OE2 2.97Å; C418-E421 HydrophobicContact CB-CB 3.83Å; F419-E421 PolarHBondContact O-N 2.84Å; E421-G425 PolarHBondContact O-N 3.01Å; E421-R1097 IonicContact OE1-NE 3.09Å; E421-R1097 PolarHBondContact OE1-NE 3.28Å; E421-R1097 IonicContact OE1-NH2 3.82Å; E421-T1101 HydrophobicContact CG-CG2 4.16Å |
| 422 | L | 92 | Very high | 91.1 | Very high | 3 Ų | 3 | 10.1 Ų | 10.1 | 2% | 0.016 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -70.3 | -43.2 | -175.7 | -67.1 | 173 | 0 | 0 | 0 | 111.7 | I417 C418 G425 F426 L1079 L1082 M1093 V1100 | I417-L422 HydrophobicContact CG2-CD1 3.81Å; C418-L422 WeakPolarHBondContact O-CG 3.18Å; C418-L422 PolarHBondContact O-N 2.94Å; C418-L422 VanDerWaalsContact O-N 3.12Å; L422-G425 PolarHBondContact O-N 2.87Å; L422-F426 HydrophobicContact CB-CE2 4.36Å; L422-F426 WeakPolarHBondContact O-CD2 3.32Å; L422-F426 PolarHBondContact O-N 3.23Å; L422-L1079 HydrophobicContact CB-CD2 4.13Å; L422-L1082 HydrophobicContact CD1-CD1 3.61Å; L422-M1093 HydrophobicContact CD1-CE 3.87Å; L422-M1093 HydrophobicContact CD2-CE 4.5Å; L422-V1100 HydrophobicContact CD2-CG1 4.38Å |
| 423 | K | 92.8 | Very high | 91.7 | Very high | 27 Ų | 27 | 7.1 Ų | 7.1 | 12% | 0.117 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -56.1 | -54.2 | 176.6 | 179.7 | 179.5 | 79.4 | 165.4 | 0 | 111.1 | F419 G425 F426 L427 E1040 F1074 L1079 | F419-K423 WeakPolarHBondContact O-CB 3.35Å; F419-K423 PolarHBondContact O-N 2.93Å; K423-G425 VanDerWaalsContact C-N 3.32Å; K423-G425 PolarHBondContact O-N 3.12Å; K423-F426 PolarHBondContact O-N 3.44Å; K423-L427 HydrophobicContact CG-CD1 4.35Å; K423-L427 VanDerWaalsContact O-CG 3.3Å; K423-L427 WeakPolarHBondContact O-CG 3.46Å; K423-L427 PolarHBondContact O-N 3.47Å; K423-E1040 HydrophobicContact CD-CG 4.21Å; K423-E1040 VanDerWaalsContact CD-OE1 3.24Å; K423-E1040 WeakPolarHBondContact CD-OE1 3.24Å; K423-E1040 WeakPolarHBondContact CE-OE1 3.28Å; K423-E1040 VanDerWaalsContact NZ-CD 3.3Å; K423-E1040 IonicContact NZ-OE1 3.46Å; K423-E1040 PolarHBondContact NZ-OE1 3.23Å; K423-E1040 IonicContact NZ-OE2 2.78Å; K423-E1040 PolarHBondContact NZ-OE2 3.33Å; K423-F1074 HydrophobicContact CB-CE1 4.3Å; K423-F1074 HydrophobicContact CG-CD1 4.27Å; K423-F1074 HydrophobicContact CG-CE1 3.83Å; K423-L1079 HydrophobicContact CB-CD1 4.12Å |
| 424 | L | 93.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -68.6 | -34.2 | -178.4 | -69 | -180 | 0 | 0 | 0 | 111.7 | S420 L427 A428 L912 G913 F917 L983 | S420-L424 VanDerWaalsContact O-CB 3.25Å; S420-L424 WeakPolarHBondContact O-CB 3.47Å; S420-L424 VanDerWaalsContact O-CG 3.29Å; S420-L424 WeakPolarHBondContact O-CG 3.36Å; S420-L424 PolarHBondContact O-N 2.83Å; L424-L427 PolarHBondContact O-N 3.28Å; L424-A428 VanDerWaalsContact O-CB 3.26Å; L424-A428 WeakPolarHBondContact O-CB 3.21Å; L424-A428 PolarHBondContact O-N 2.98Å; L424-L912 VanDerWaalsContact CD1-O 3.3Å; L424-L912 WeakPolarHBondContact CD1-O 3.29Å; L424-G913 WeakPolarHBondContact CD1-O 3.46Å; L424-F917 HydrophobicContact CB-CB 4.03Å; L424-F917 HydrophobicContact CD1-CB 4.44Å; L424-F917 HydrophobicContact CD2-CB 4.39Å; L424-F917 HydrophobicContact CD2-CD2 4.48Å; L424-L983 HydrophobicContact CD2-CD1 3.97Å; L424-L983 HydrophobicContact CD2-CD2 4.31Å |
| 425 | G | 93.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.01 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E421 L422 K423 L427 A428 Q429 V1100 | E421-G425 PolarHBondContact O-N 3.01Å; L422-G425 PolarHBondContact O-N 2.87Å; K423-G425 VanDerWaalsContact C-N 3.32Å; K423-G425 PolarHBondContact O-N 3.12Å; G425-L427 VanDerWaalsContact C-N 3.32Å; G425-L427 PolarHBondContact O-N 2.98Å; G425-A428 PolarHBondContact O-N 3.32Å; G425-Q429 WeakPolarHBondContact O-CG 3.47Å; G425-Q429 PolarHBondContact O-N 2.86Å; G425-V1100 VanDerWaalsContact C-CG1 3.47Å |
| 426 | F | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 176.8 | -81.3 | -60.4 | 0 | 0 | 0 | 111.7 | L422 K423 S430 V440 F444 F1074 L1079 I1096 V1100 | L422-F426 HydrophobicContact CB-CE2 4.36Å; L422-F426 WeakPolarHBondContact O-CD2 3.32Å; L422-F426 PolarHBondContact O-N 3.23Å; K423-F426 PolarHBondContact O-N 3.44Å; F426-S430 VanDerWaalsContact O-CB 3.31Å; F426-S430 WeakPolarHBondContact O-CB 3.37Å; F426-S430 PolarHBondContact O-N 3.01Å; F426-S430 PolarHBondContact O-OG 3.09Å; F426-V440 HydrophobicContact CE1-CB 3.85Å; F426-V440 HydrophobicContact CE1-CG1 3.66Å; F426-V440 HydrophobicContact CZ-CG1 4.22Å; F426-F444 HydrophobicContact CE1-CE1 4.44Å; F426-F444 AromaticContact CZ-CE1 3.82Å; F426-F444 HydrophobicContact CZ-CE1 3.82Å; F426-F444 HydrophobicContact CZ-CZ 4.28Å; F426-F1074 HydrophobicContact CB-CD2 4.45Å; F426-F1074 HydrophobicContact CB-CE2 3.85Å; F426-F1074 HydrophobicContact CB-CZ 4.11Å; F426-F1074 AromaticContact CD2-CE2 3.9Å; F426-F1074 HydrophobicContact CD2-CE2 3.9Å; F426-F1074 AromaticContact CD2-CZ 3.75Å; F426-F1074 HydrophobicContact CD2-CZ 3.75Å; F426-F1074 AromaticContact CG-CE2 3.95Å; F426-F1074 HydrophobicContact CG-CE2 3.95Å; F426-F1074 HydrophobicContact CG-CZ 4.19Å; F426-L1079 HydrophobicContact CD2-CD2 4.27Å; F426-L1079 HydrophobicContact CE2-CD2 3.98Å; F426-I1096 HydrophobicContact CZ-CG2 4.17Å; F426-V1100 HydrophobicContact CD1-CG1 4.46Å; F426-V1100 HydrophobicContact CD1-CG2 3.71Å; F426-V1100 HydrophobicContact CE1-CG2 3.32Å; F426-V1100 HydrophobicContact CE2-CG2 4.34Å; F426-V1100 HydrophobicContact CG-CG1 4.35Å; F426-V1100 HydrophobicContact CG-CG2 4.34Å; F426-V1100 HydrophobicContact CZ-CG2 3.68Å |
| 427 | L | 94.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -68.4 | -38.4 | 177.2 | -63.6 | 175.7 | 0 | 0 | 0 | 111.8 | K423 L424 G425 S430 C431 F917 V981 L983 I1038 F1074 | K423-L427 HydrophobicContact CG-CD1 4.35Å; K423-L427 VanDerWaalsContact O-CG 3.3Å; K423-L427 WeakPolarHBondContact O-CG 3.46Å; K423-L427 PolarHBondContact O-N 3.47Å; L424-L427 PolarHBondContact O-N 3.28Å; G425-L427 VanDerWaalsContact C-N 3.32Å; G425-L427 PolarHBondContact O-N 2.98Å; L427-S430 PolarHBondContact O-N 2.83Å; L427-C431 PolarHBondContact O-N 2.75Å; L427-C431 VanDerWaalsContact O-N 3.12Å; L427-C431 PolarHBondContact O-SG 3.38Å; L427-F917 HydrophobicContact CB-CD2 4.33Å; L427-F917 HydrophobicContact CB-CE2 4.07Å; L427-V981 HydrophobicContact CB-CG1 4.46Å; L427-V981 HydrophobicContact CD1-CG1 4.37Å; L427-L983 HydrophobicContact CD1-CD2 3.4Å; L427-L983 VanDerWaalsContact CD1-CD2 3.4Å; L427-I1038 HydrophobicContact CD2-CG2 3.4Å; L427-I1038 VanDerWaalsContact CD2-CG2 3.4Å; L427-F1074 HydrophobicContact CD2-CB 3.88Å; L427-F1074 HydrophobicContact CD2-CD1 4.44Å; L427-F1074 HydrophobicContact CD2-CG 4.17Å |
| 428 | A | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -63.3 | -50.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L424 G425 S430 C431 F917 P920 L921 | L424-A428 VanDerWaalsContact O-CB 3.26Å; L424-A428 WeakPolarHBondContact O-CB 3.21Å; L424-A428 PolarHBondContact O-N 2.98Å; G425-A428 PolarHBondContact O-N 3.32Å; A428-S430 PolarHBondContact O-N 3.24Å; A428-C431 VanDerWaalsContact O-CB 3.27Å; A428-C431 WeakPolarHBondContact O-CB 3.39Å; A428-C431 PolarHBondContact O-N 3.01Å; A428-F917 HydrophobicContact CB-CD2 3.94Å; A428-F917 HydrophobicContact CB-CE2 4.17Å; A428-F917 HydrophobicContact CB-CG 4.37Å; A428-F917 VanDerWaalsContact CB-O 3.3Å; A428-F917 WeakPolarHBondContact CB-O 3.45Å; A428-P920 HydrophobicContact CB-CB 4.24Å; A428-P920 HydrophobicContact CB-CG 4.16Å; A428-L921 HydrophobicContact CB-CD1 4.44Å; A428-L921 HydrophobicContact CB-CG 4.13Å; A428-L921 WeakPolarHBondContact O-CD2 3.39Å |
| 429 | Q | 92.9 | Very high | 92.1 | Very high | 7 Ų | 7 | 6.9 Ų | 6.9 | 3% | 0.033 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -62.8 | -33.5 | 176.2 | -67 | -61.5 | -17.7 | 0 | 0 | 112.2 | G425 C431 I432 A433 F436 L1099 V1100 I1158 | G425-Q429 WeakPolarHBondContact O-CG 3.47Å; G425-Q429 PolarHBondContact O-N 2.86Å; Q429-C431 VanDerWaalsContact C-N 3.25Å; Q429-C431 PolarHBondContact O-N 3.24Å; Q429-I432 WeakPolarHBondContact O-CB 3.36Å; Q429-I432 PolarHBondContact O-N 2.88Å; Q429-A433 PolarHBondContact O-N 3.08Å; Q429-F436 HydrophobicContact CB-CD1 3.37Å; Q429-F436 HydrophobicContact CB-CE1 3.57Å; Q429-F436 HydrophobicContact CB-CG 4.28Å; Q429-F436 HydrophobicContact CG-CD1 4.29Å; Q429-F436 HydrophobicContact CG-CE1 3.98Å; Q429-L1099 PolarHBondContact NE2-O 3.28Å; Q429-V1100 WeakPolarHBondContact CG-O 3.14Å; Q429-V1100 PolarHBondContact NE2-O 3.4Å; Q429-I1158 HydrophobicContact CG-CD1 4.29Å |
| 430 | S | 93 | Very high | 92.1 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -69.1 | -21.2 | 174.8 | -59.6 | 0 | 0 | 0 | 0 | 113.5 | F426 L427 A428 I432 A433 P434 S437 | F426-S430 VanDerWaalsContact O-CB 3.31Å; F426-S430 WeakPolarHBondContact O-CB 3.37Å; F426-S430 PolarHBondContact O-N 3.01Å; F426-S430 PolarHBondContact O-OG 3.09Å; L427-S430 PolarHBondContact O-N 2.83Å; A428-S430 PolarHBondContact O-N 3.24Å; S430-I432 VanDerWaalsContact C-N 3.32Å; S430-A433 WeakPolarHBondContact CA-O 3.43Å; S430-A433 CarbonylContact O-C 3.6Å; S430-A433 VanDerWaalsContact O-C 3.32Å; S430-P434 VanDerWaalsContact O-CA 3.31Å; S430-P434 WeakPolarHBondContact O-CA 3.14Å; S430-S437 VanDerWaalsContact OG-CB 3.22Å; S430-S437 WeakPolarHBondContact OG-CB 3.35Å; S430-S437 PolarHBondContact OG-N 3.23Å; S430-S437 PolarHBondContact OG-OG 3.4Å |
| 431 | C | 92.9 | Very high | 92 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.007 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -71.1 | -27.7 | 168.8 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | L427 A428 Q429 I899 L921 V981 | L427-C431 PolarHBondContact O-N 2.75Å; L427-C431 VanDerWaalsContact O-N 3.12Å; L427-C431 PolarHBondContact O-SG 3.38Å; A428-C431 VanDerWaalsContact O-CB 3.27Å; A428-C431 WeakPolarHBondContact O-CB 3.39Å; A428-C431 PolarHBondContact O-N 3.01Å; Q429-C431 VanDerWaalsContact C-N 3.25Å; Q429-C431 PolarHBondContact O-N 3.24Å; C431-I899 HydrophobicContact CB-CD1 3.89Å; C431-I899 HydrophobicContact CB-CG1 4.41Å; C431-I899 HydrophobicContact CB-CG2 4.43Å; C431-L921 HydrophobicContact CB-CD2 4.37Å; C431-V981 WeakPolarHBondContact SG-CG2 3.33Å |
| 432 | I | 90.4 | Very high | 91.9 | Very high | 39 Ų | 39 | 5.8 Ų | 5.8 | 20% | 0.2 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -79 | -50.3 | 174.8 | -62.6 | 159 | 0 | 0 | 0 | 109.2 | Q429 S430 L921 F926 I1158 | Q429-I432 WeakPolarHBondContact O-CB 3.36Å; Q429-I432 PolarHBondContact O-N 2.88Å; S430-I432 VanDerWaalsContact C-N 3.32Å; I432-L921 HydrophobicContact CD1-CD2 3.82Å; I432-L921 HydrophobicContact CG1-CD2 3.72Å; I432-F926 HydrophobicContact CD1-CE2 4.05Å; I432-F926 HydrophobicContact CD1-CZ 3.62Å; I432-F926 HydrophobicContact CG1-CZ 4.27Å; I432-F926 HydrophobicContact CG2-CE1 4.49Å; I432-F926 HydrophobicContact CG2-CZ 4.36Å; I432-I1158 VanDerWaalsContact CG2-O 3.26Å; I432-I1158 WeakPolarHBondContact CG2-O 3.1Å |
| 433 | A | 90.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -128.6 | 95.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q429 S430 G435 F436 I1158 Q1160 F1339 | Q429-A433 PolarHBondContact O-N 3.08Å; S430-A433 WeakPolarHBondContact CA-O 3.43Å; S430-A433 CarbonylContact O-C 3.6Å; S430-A433 VanDerWaalsContact O-C 3.32Å; A433-G435 PolarHBondContact O-N 2.91Å; A433-F436 HydrophobicContact CB-CB 4.15Å; A433-F436 WeakPolarHBondContact O-CB 3.41Å; A433-F436 PolarHBondContact O-N 3.44Å; A433-I1158 HydrophobicContact CB-CG2 3.82Å; A433-Q1160 HydrophobicContact CB-CG 3.83Å; A433-F1339 HydrophobicContact CB-CD1 4.25Å; A433-F1339 HydrophobicContact CB-CE1 4.16Å |
| 434 | P | 90.1 | Very high | 91.3 | Very high | 32 Ų | 32 | 5.2 Ų | 5.2 | 21% | 0.208 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 126.2 | -179.5 | -29.5 | 35.3 | 0 | 0 | 0 | 113.8 | S430 V979 Q1160 Y1202 F1339 | S430-P434 VanDerWaalsContact O-CA 3.31Å; S430-P434 WeakPolarHBondContact O-CA 3.14Å; P434-V979 HydrophobicContact CG-CG2 4.41Å; P434-Q1160 PolarHBondContact O-NE2 2.79Å; P434-Y1202 HydrophobicContact CB-CE1 4.31Å; P434-F1339 WeakPolarHBondContact O-CZ 3.35Å |
| 435 | G | 89 | Confident | 90.7 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 0.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115.1 | A433 S437 T438 L439 V1322 | A433-G435 PolarHBondContact O-N 2.91Å; G435-S437 VanDerWaalsContact C-N 3.31Å; G435-S437 PolarHBondContact O-N 2.92Å; G435-T438 PolarHBondContact O-N 3.41Å; G435-L439 PolarHBondContact O-N 3.12Å; G435-V1322 WeakPolarHBondContact O-CG2 3.47Å |
| 436 | F | 92.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 7 Ų | 7 | 1% | 0.013 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -60.2 | -37.9 | 174.1 | 179.7 | -97.7 | 0 | 0 | 0 | 113.1 | Q429 A433 T438 L439 V440 I1158 F1339 | Q429-F436 HydrophobicContact CB-CD1 3.37Å; Q429-F436 HydrophobicContact CB-CE1 3.57Å; Q429-F436 HydrophobicContact CB-CG 4.28Å; Q429-F436 HydrophobicContact CG-CD1 4.29Å; Q429-F436 HydrophobicContact CG-CE1 3.98Å; A433-F436 HydrophobicContact CB-CB 4.15Å; A433-F436 WeakPolarHBondContact O-CB 3.41Å; A433-F436 PolarHBondContact O-N 3.44Å; F436-T438 PolarHBondContact O-N 3.36Å; F436-L439 HydrophobicContact CD2-CD2 4.24Å; F436-L439 WeakPolarHBondContact O-CB 3.37Å; F436-L439 PolarHBondContact O-N 3.35Å; F436-V440 HydrophobicContact CD1-CG2 4.14Å; F436-V440 HydrophobicContact CD2-CG2 4.23Å; F436-V440 HydrophobicContact CE1-CG2 3.6Å; F436-V440 HydrophobicContact CE2-CG2 3.69Å; F436-V440 HydrophobicContact CG-CG2 4.44Å; F436-V440 HydrophobicContact CZ-CG2 3.34Å; F436-V440 PolarHBondContact O-N 3.22Å; F436-I1158 HydrophobicContact CD2-CD1 4.34Å; F436-I1158 HydrophobicContact CD2-CG2 3.71Å; F436-I1158 HydrophobicContact CE1-CD1 3.87Å; F436-I1158 HydrophobicContact CE2-CD1 3.55Å; F436-I1158 HydrophobicContact CE2-CG1 3.92Å; F436-I1158 HydrophobicContact CE2-CG2 3.86Å; F436-I1158 HydrophobicContact CG-CG2 4.37Å; F436-I1158 HydrophobicContact CZ-CD1 3.27Å; F436-I1158 HydrophobicContact CZ-CG1 4.15Å; F436-F1339 HydrophobicContact CB-CE1 4.32Å |
| 437 | S | 92.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 8.7 Ų | 8.7 | 1% | 0.007 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -55 | -51.8 | 174.2 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | S430 G435 L439 V440 T441 | S430-S437 VanDerWaalsContact OG-CB 3.22Å; S430-S437 WeakPolarHBondContact OG-CB 3.35Å; S430-S437 PolarHBondContact OG-N 3.23Å; S430-S437 PolarHBondContact OG-OG 3.4Å; G435-S437 VanDerWaalsContact C-N 3.31Å; G435-S437 PolarHBondContact O-N 2.92Å; S437-L439 VanDerWaalsContact C-N 3.34Å; S437-L439 PolarHBondContact O-N 3.27Å; S437-V440 PolarHBondContact O-N 3.21Å; S437-T441 WeakPolarHBondContact O-CB 3.41Å; S437-T441 PolarHBondContact O-N 3.27Å; S437-T441 PolarHBondContact O-OG1 3.32Å |
| 438 | T | 91.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 176.2 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | G435 F436 N442 Y588 F1068 G1071 V1322 | G435-T438 PolarHBondContact O-N 3.41Å; F436-T438 PolarHBondContact O-N 3.36Å; T438-N442 WeakPolarHBondContact O-CB 3.5Å; T438-N442 VanDerWaalsContact O-CG 3.25Å; T438-N442 PolarHBondContact O-N 3.44Å; T438-Y588 HydrophobicContact CG2-CE2 4.11Å; T438-F1068 HydrophobicContact CG2-CD1 3.88Å; T438-F1068 HydrophobicContact CG2-CE1 3.74Å; T438-F1068 WeakPolarHBondContact CG2-O 3.27Å; T438-F1068 PolarHBondContact OG1-O 3.17Å; T438-G1071 VanDerWaalsContact OG1-CA 3.31Å; T438-G1071 WeakPolarHBondContact OG1-CA 3.36Å; T438-V1322 HydrophobicContact CG2-CB 4.26Å; T438-V1322 HydrophobicContact CG2-CG2 4.24Å |
| 439 | L | 92.5 | Very high | 85.6 | Confident | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -56 | -53.2 | 177.2 | -177.1 | 78.6 | 0 | 0 | 0 | 110.4 | G435 F436 S437 L443 L1199 V1322 S1324 F1339 | G435-L439 PolarHBondContact O-N 3.12Å; F436-L439 HydrophobicContact CD2-CD2 4.24Å; F436-L439 WeakPolarHBondContact O-CB 3.37Å; F436-L439 PolarHBondContact O-N 3.35Å; S437-L439 VanDerWaalsContact C-N 3.34Å; S437-L439 PolarHBondContact O-N 3.27Å; L439-L443 WeakPolarHBondContact O-CG 3.44Å; L439-L1199 HydrophobicContact CD2-CB 4.31Å; L439-L1199 HydrophobicContact CD2-CD1 4.37Å; L439-V1322 HydrophobicContact CB-CG1 3.83Å; L439-V1322 HydrophobicContact CD1-CG1 3.6Å; L439-V1322 HydrophobicContact CG-CG1 4.35Å; L439-S1324 WeakPolarHBondContact CD1-OG 3.42Å; L439-F1339 HydrophobicContact CD1-CD2 4.48Å; L439-F1339 HydrophobicContact CD2-CB 4.15Å; L439-F1339 HydrophobicContact CD2-CD1 4.25Å; L439-F1339 HydrophobicContact CD2-CD2 4.41Å; L439-F1339 HydrophobicContact CD2-CG 4.06Å |
| 440 | V | 91.4 | Very high | 83.9 | Confident | 5 Ų | 5 | 19.4 Ų | 19.4 | 3% | 0.03 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -72.9 | -38.5 | -176.7 | -178.1 | 0 | 0 | 0 | 0 | 111.8 | F426 F436 S437 N442 L443 F444 I1096 | F426-V440 HydrophobicContact CE1-CB 3.85Å; F426-V440 HydrophobicContact CE1-CG1 3.66Å; F426-V440 HydrophobicContact CZ-CG1 4.22Å; F436-V440 HydrophobicContact CD1-CG2 4.14Å; F436-V440 HydrophobicContact CD2-CG2 4.23Å; F436-V440 HydrophobicContact CE1-CG2 3.6Å; F436-V440 HydrophobicContact CE2-CG2 3.69Å; F436-V440 HydrophobicContact CG-CG2 4.44Å; F436-V440 HydrophobicContact CZ-CG2 3.34Å; F436-V440 PolarHBondContact O-N 3.22Å; S437-V440 PolarHBondContact O-N 3.21Å; V440-N442 VanDerWaalsContact C-N 3.32Å; V440-N442 PolarHBondContact O-N 3.09Å; V440-L443 WeakPolarHBondContact O-CB 3.47Å; V440-L443 PolarHBondContact O-N 3.02Å; V440-F444 HydrophobicContact CG1-CD1 4.14Å; V440-F444 HydrophobicContact CG1-CE1 4.1Å; V440-F444 WeakPolarHBondContact O-CD1 3.35Å; V440-F444 WeakPolarHBondContact O-CE1 3.48Å; V440-I1096 HydrophobicContact CG1-CG2 4.27Å |
| 441 | T | 89.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.9 | -48.8 | 175.7 | -63.8 | 0 | 0 | 0 | 0 | 112.2 | S437 L443 F444 T445 F1068 V1078 | S437-T441 WeakPolarHBondContact O-CB 3.41Å; S437-T441 PolarHBondContact O-N 3.27Å; S437-T441 PolarHBondContact O-OG1 3.32Å; T441-L443 PolarHBondContact O-N 3Å; T441-L443 VanDerWaalsContact O-N 3.12Å; T441-F444 HydrophobicContact CG2-CE2 4.37Å; T441-F444 HydrophobicContact CG2-CZ 4.15Å; T441-F444 PolarHBondContact O-N 3.43Å; T441-F444 VanDerWaalsContact O-N 3.17Å; T441-T445 HydrophobicContact CG2-CG2 3.82Å; T441-T445 WeakPolarHBondContact O-CG2 3.24Å; T441-T445 PolarHBondContact O-N 3.09Å; T441-T445 VanDerWaalsContact O-N 3.12Å; T441-T445 PolarHBondContact O-OG1 3.17Å; T441-T445 VanDerWaalsContact O-OG1 3.09Å; T441-F1068 HydrophobicContact CG2-CE1 4.43Å; T441-F1068 HydrophobicContact CG2-CE2 4.44Å; T441-F1068 HydrophobicContact CG2-CZ 3.58Å; T441-V1078 HydrophobicContact CG2-CB 4.09Å; T441-V1078 HydrophobicContact CG2-CG1 3.22Å; T441-V1078 HydrophobicContact CG2-CG2 3.7Å; T441-V1078 WeakPolarHBondContact OG1-CG1 3.47Å |
| 442 | N | 88.7 | Confident | 80.7 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.1 | -28.1 | 178.2 | -76.7 | 1.6 | 0 | 0 | 0 | 112.6 | T438 V440 Y588 | T438-N442 WeakPolarHBondContact O-CB 3.5Å; T438-N442 VanDerWaalsContact O-CG 3.25Å; T438-N442 PolarHBondContact O-N 3.44Å; V440-N442 VanDerWaalsContact C-N 3.32Å; V440-N442 PolarHBondContact O-N 3.09Å; N442-Y588 WeakPolarHBondContact ND2-CE2 3.4Å; N442-Y588 PolarHBondContact ND2-OH 3.1Å; N442-Y588 PolarHBondContact OD1-OH 2.92Å |
| 443 | L | 87.9 | Confident | 79.2 | Confident | 12 Ų | 12 | 26.4 Ų | 26.4 | 6% | 0.063 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -78.1 | -14.4 | -178 | -69 | 176.8 | 0 | 0 | 0 | 115 | L439 V440 T441 M594 E595 I596 I705 | L439-L443 WeakPolarHBondContact O-CG 3.44Å; V440-L443 WeakPolarHBondContact O-CB 3.47Å; V440-L443 PolarHBondContact O-N 3.02Å; T441-L443 PolarHBondContact O-N 3Å; T441-L443 VanDerWaalsContact O-N 3.12Å; L443-M594 WeakPolarHBondContact CA-O 3.47Å; L443-M594 HydrophobicContact CD2-CB 4.21Å; L443-E595 CarbonylContact O-C 3.52Å; L443-E595 VanDerWaalsContact O-CA 3.25Å; L443-E595 WeakPolarHBondContact O-CA 3.28Å; L443-I596 HydrophobicContact CB-CD1 4.02Å; L443-I596 HydrophobicContact CB-CG1 4.05Å; L443-I596 HydrophobicContact CD1-CD1 4.31Å; L443-I596 HydrophobicContact CD1-CG1 4.4Å; L443-I596 PolarHBondContact O-N 2.96Å; L443-I705 HydrophobicContact CD1-CD1 3.66Å; L443-I705 HydrophobicContact CD1-CG1 4.27Å; L443-I705 HydrophobicContact CD2-CB 4.4Å; L443-I705 HydrophobicContact CD2-CD1 3.81Å; L443-I705 HydrophobicContact CD2-CG1 3.9Å; L443-I705 HydrophobicContact CD2-CG2 3.56Å; L443-I705 HydrophobicContact CG-CD1 4.41Å |
| 444 | F | 84.7 | Confident | 77.5 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -119.8 | -11.8 | 178.3 | 64.1 | -109.4 | 0 | 0 | 0 | 113.6 | F426 V440 T441 V1078 V1081 L1082 T1085 I1096 | F426-F444 HydrophobicContact CE1-CE1 4.44Å; F426-F444 AromaticContact CZ-CE1 3.82Å; F426-F444 HydrophobicContact CZ-CE1 3.82Å; F426-F444 HydrophobicContact CZ-CZ 4.28Å; V440-F444 HydrophobicContact CG1-CD1 4.14Å; V440-F444 HydrophobicContact CG1-CE1 4.1Å; V440-F444 WeakPolarHBondContact O-CD1 3.35Å; V440-F444 WeakPolarHBondContact O-CE1 3.48Å; T441-F444 HydrophobicContact CG2-CE2 4.37Å; T441-F444 HydrophobicContact CG2-CZ 4.15Å; T441-F444 PolarHBondContact O-N 3.43Å; T441-F444 VanDerWaalsContact O-N 3.17Å; F444-V1078 HydrophobicContact CE2-CG1 3.67Å; F444-V1078 HydrophobicContact CZ-CG1 3.46Å; F444-V1078 VanDerWaalsContact CZ-CG1 3.46Å; F444-V1081 HydrophobicContact CD2-CG1 4.24Å; F444-L1082 HydrophobicContact CD1-CD2 4.16Å; F444-L1082 HydrophobicContact CD2-CD2 3.76Å; F444-L1082 HydrophobicContact CE1-CD2 4.11Å; F444-L1082 HydrophobicContact CE2-CD2 3.74Å; F444-L1082 HydrophobicContact CE2-CG 4.13Å; F444-L1082 HydrophobicContact CG-CD2 3.98Å; F444-L1082 HydrophobicContact CZ-CD2 3.91Å; F444-L1082 HydrophobicContact CZ-CG 4.37Å; F444-T1085 HydrophobicContact CB-CG2 4.04Å; F444-T1085 VanDerWaalsContact O-CG2 3.28Å; F444-T1085 WeakPolarHBondContact O-CG2 3.39Å; F444-I1096 HydrophobicContact CB-CD1 3.93Å; F444-I1096 HydrophobicContact CD1-CD1 3.95Å; F444-I1096 HydrophobicContact CG-CD1 4.27Å |
| 445 | T | 80.2 | Confident | 75.8 | Confident | 12 Ų | 12 | 29.9 Ų | 29.9 | 7% | 0.074 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -82.7 | 122.9 | 173.1 | 53 | 0 | 0 | 0 | 0 | 110.8 | T441 H447 V1081 | T441-T445 HydrophobicContact CG2-CG2 3.82Å; T441-T445 WeakPolarHBondContact O-CG2 3.24Å; T441-T445 PolarHBondContact O-N 3.09Å; T441-T445 VanDerWaalsContact O-N 3.12Å; T441-T445 PolarHBondContact O-OG1 3.17Å; T441-T445 VanDerWaalsContact O-OG1 3.09Å; T445-H447 PolarHBondContact O-N 3.35Å; T445-V1081 HydrophobicContact CG2-CG1 4.31Å; T445-V1081 HydrophobicContact CG2-CG2 4.4Å |
| 446 | M | 73.9 | Confident | 74.2 | Confident | 27 Ų | 27 | 31.6 Ų | 31.6 | 13% | 0.133 | 17% | 0.165 | C | C | . | . | trans | -69.3 | 122.7 | 176.4 | -59.4 | -71.1 | 96.4 | 0 | 0 | 110.7 | D295 H298 E595 | D295-M446 VanDerWaalsContact OD1-CB 3.29Å; D295-M446 WeakPolarHBondContact OD1-CB 3.33Å; D295-M446 WeakPolarHBondContact OD1-CG 3.29Å; D295-M446 PolarHBondContact OD1-N 3.27Å; D295-M446 VanDerWaalsContact OD1-N 3.1Å; H298-M446 HydrophobicContact CB-CB 4.24Å; H298-M446 HydrophobicContact CB-CG 4.49Å; M446-E595 WeakPolarHBondContact CA-OE1 3.46Å; M446-E595 HydrophobicContact CE-CB 4.13Å; M446-E595 HydrophobicContact CE-CG 3.64Å; M446-E595 WeakPolarHBondContact CE-OE1 3.12Å; M446-E595 WeakPolarHBondContact CE-OE2 3.42Å; M446-E595 VanDerWaalsContact SD-CD 3.59Å | ||
| 447 | H | 72.2 | Confident | 72.3 | Confident | 34 Ų | 34 | 38.6 Ų | 38.6 | 16% | 0.157 | 20% | 0.195 | C | C | . | . | trans | -127.2 | 107.3 | 175.8 | -75.3 | -36 | 0 | 0 | 0 | 110.7 | T445 I449 L452 A592 E595 S1063 | T445-H447 PolarHBondContact O-N 3.35Å; H447-I449 PolarHBondContact O-N 3.32Å; H447-I449 VanDerWaalsContact O-N 3.11Å; H447-L452 HydrophobicContact CB-CD1 3.85Å; H447-L452 HydrophobicContact CB-CD2 4.38Å; H447-L452 HydrophobicContact CB-CG 4.21Å; H447-A592 PolarHBondContact CD2-O 2.83Å; H447-E595 PolarHBondContact N-OE1 3.3Å; H447-S1063 PolarHBondContact CE1-OG 2.98Å; H447-S1063 VanDerWaalsContact CE1-OG 3.25Å; H447-S1063 PolarHBondContact NE2-OG 2.99Å; H447-S1063 VanDerWaalsContact NE2-OG 3.13Å | ||
| 448 | S | 59.7 | Low | 70.2 | Confident | 25 Ų | 25 | 44.4 Ų | 44.4 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | trans | -55.1 | 121.6 | 173.3 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | H298 R450 G451 L452 | H298-S448 PolarHBondContact CE1-N 2.96Å; H298-S448 PolarHBondContact NE2-N 3.01Å; S448-R450 PolarHBondContact O-N 3.35Å; S448-R450 PolarHBondContact OG-N 3.39Å; S448-G451 CarbonylContact O-C 3.58Å; S448-G451 WeakPolarHBondContact O-CA 3.49Å; S448-G451 PolarHBondContact O-N 3.42Å; S448-G451 PolarHBondContact OG-N 2.77Å; S448-L452 WeakPolarHBondContact O-CG 3.47Å; S448-L452 PolarHBondContact O-N 2.81Å | ||
| 449 | I | 62.3 | Low | 68.1 | Low | 64 Ų | 64 | 46.4 Ų | 46.4 | 33% | 0.328 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -54.7 | -35.9 | 173 | -65.8 | 168 | 0 | 0 | 0 | 110.6 | H447 L452 K453 D707 | H447-I449 PolarHBondContact O-N 3.32Å; H447-I449 VanDerWaalsContact O-N 3.11Å; I449-L452 PolarHBondContact O-N 3.28Å; I449-K453 HydrophobicContact CG2-CD 4.45Å; I449-K453 WeakPolarHBondContact O-CG 3.18Å; I449-K453 PolarHBondContact O-N 3.36Å; I449-D707 HydrophobicContact CD1-CB 4.26Å |
| 450 | R | 57.2 | Low | 65.8 | Low | 144 Ų | 144 | 52.2 Ų | 52.2 | 54% | 0.543 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 174.8 | -176.5 | -179.8 | 172.4 | 175.9 | 0.1 | 111 | S448 L452 K453 E454 | S448-R450 PolarHBondContact O-N 3.35Å; S448-R450 PolarHBondContact OG-N 3.39Å; R450-L452 VanDerWaalsContact C-N 3.32Å; R450-L452 PolarHBondContact O-N 3.14Å; R450-K453 PolarHBondContact O-N 3.24Å; R450-E454 IonicContact NE-OE1 3.43Å; R450-E454 PolarHBondContact NE-OE1 3.29Å; R450-E454 IonicContact NH2-OE1 3.82Å; R450-E454 WeakPolarHBondContact O-CG 3.43Å; R450-E454 PolarHBondContact O-N 3.01Å |
| 451 | G | 57.5 | Low | 63.4 | Low | 34 Ų | 34 | 57 Ų | 57 | 35% | 0.351 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S448 E454 A455 | S448-G451 CarbonylContact O-C 3.58Å; S448-G451 WeakPolarHBondContact O-CA 3.49Å; S448-G451 PolarHBondContact O-N 3.42Å; S448-G451 PolarHBondContact OG-N 2.77Å; G451-E454 PolarHBondContact O-N 3.47Å; G451-A455 VanDerWaalsContact O-CB 3.24Å; G451-A455 WeakPolarHBondContact O-CB 3.48Å; G451-A455 PolarHBondContact O-N 3.28Å |
| 452 | L | 60.7 | Low | 60.9 | Low | 13 Ų | 13 | 64.6 Ų | 64.6 | 7% | 0.068 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 175.7 | -69.9 | 164.2 | 0 | 0 | 0 | 111.8 | H447 S448 I449 R450 A455 A456 L589 L1064 | H447-L452 HydrophobicContact CB-CD1 3.85Å; H447-L452 HydrophobicContact CB-CD2 4.38Å; H447-L452 HydrophobicContact CB-CG 4.21Å; S448-L452 WeakPolarHBondContact O-CG 3.47Å; S448-L452 PolarHBondContact O-N 2.81Å; I449-L452 PolarHBondContact O-N 3.28Å; R450-L452 VanDerWaalsContact C-N 3.32Å; R450-L452 PolarHBondContact O-N 3.14Å; L452-A455 PolarHBondContact O-N 3.04Å; L452-A456 VanDerWaalsContact O-CB 3.32Å; L452-A456 WeakPolarHBondContact O-CB 3.15Å; L452-A456 PolarHBondContact O-N 2.66Å; L452-L589 HydrophobicContact CD2-CB 4.25Å; L452-L589 HydrophobicContact CD2-CD2 3.41Å; L452-L589 VanDerWaalsContact CD2-CD2 3.41Å; L452-L589 HydrophobicContact CD2-CG 4.35Å; L452-L1064 HydrophobicContact CD2-CD2 3.91Å |
| 453 | K | 59.2 | Low | 58.6 | Low | 140 Ų | 140 | 67.7 Ų | 67.7 | 61% | 0.609 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.1 | -39.5 | 174.2 | -75.6 | 177.8 | -177.2 | -179.9 | 0 | 112.2 | I449 R450 K457 | I449-K453 HydrophobicContact CG2-CD 4.45Å; I449-K453 WeakPolarHBondContact O-CG 3.18Å; I449-K453 PolarHBondContact O-N 3.36Å; R450-K453 PolarHBondContact O-N 3.24Å; K453-K457 WeakPolarHBondContact O-CG 3.39Å; K453-K457 PolarHBondContact O-N 3.4Å |
| 454 | E | 55.1 | Low | 56 | Low | 82 Ų | 82 | 71 Ų | 71 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.8 | -44.8 | 175 | -72 | 177.8 | -167.8 | 0 | 0 | 110.8 | R450 G451 A456 K457 F458 | R450-E454 IonicContact NE-OE1 3.43Å; R450-E454 PolarHBondContact NE-OE1 3.29Å; R450-E454 IonicContact NH2-OE1 3.82Å; R450-E454 WeakPolarHBondContact O-CG 3.43Å; R450-E454 PolarHBondContact O-N 3.01Å; G451-E454 PolarHBondContact O-N 3.47Å; E454-A456 VanDerWaalsContact C-N 3.35Å; E454-A456 PolarHBondContact O-N 3.09Å; E454-K457 WeakPolarHBondContact O-CB 3.35Å; E454-K457 PolarHBondContact O-N 2.85Å; E454-K457 VanDerWaalsContact O-N 3.09Å; E454-F458 WeakPolarHBondContact O-CD2 3.49Å; E454-F458 PolarHBondContact O-N 3.42Å |
| 455 | A | 53.7 | Low | 53.6 | Low | 23 Ų | 23 | 74.6 Ų | 74.6 | 19% | 0.19 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.4 | -47.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | G451 L452 K457 F458 T459 L1064 | G451-A455 VanDerWaalsContact O-CB 3.24Å; G451-A455 WeakPolarHBondContact O-CB 3.48Å; G451-A455 PolarHBondContact O-N 3.28Å; L452-A455 PolarHBondContact O-N 3.04Å; A455-K457 VanDerWaalsContact C-N 3.26Å; A455-K457 PolarHBondContact O-N 3.39Å; A455-F458 CarbonylContact O-C 3.58Å; A455-F458 WeakPolarHBondContact O-CA 3.45Å; A455-F458 WeakPolarHBondContact O-CB 3.47Å; A455-F458 PolarHBondContact O-N 3.13Å; A455-T459 PolarHBondContact O-N 3.12Å; A455-T459 PolarHBondContact O-OG1 3.22Å; A455-L1064 HydrophobicContact CB-CD1 4.16Å |
| 456 | A | 55.1 | Low | 51.3 | Low | 36 Ų | 36 | 82.5 Ų | 82.5 | 30% | 0.298 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56 | -38.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L452 E454 K460 L589 | L452-A456 VanDerWaalsContact O-CB 3.32Å; L452-A456 WeakPolarHBondContact O-CB 3.15Å; L452-A456 PolarHBondContact O-N 2.66Å; E454-A456 VanDerWaalsContact C-N 3.35Å; E454-A456 PolarHBondContact O-N 3.09Å; A456-K460 WeakPolarHBondContact O-CB 3.24Å; A456-K460 PolarHBondContact O-N 3.13Å; A456-K460 VanDerWaalsContact O-N 3.08Å; A456-L589 HydrophobicContact CB-CD1 3.69Å |
| 457 | K | 52.1 | Low | 49.4 | Very low | 150 Ų | 150 | 88 Ų | 88 | 65% | 0.652 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66 | -41.3 | 173.5 | -70.2 | 173.6 | -177.7 | 179.6 | 0 | 111.4 | K453 E454 A455 K460 V461 | K453-K457 WeakPolarHBondContact O-CG 3.39Å; K453-K457 PolarHBondContact O-N 3.4Å; E454-K457 WeakPolarHBondContact O-CB 3.35Å; E454-K457 PolarHBondContact O-N 2.85Å; E454-K457 VanDerWaalsContact O-N 3.09Å; A455-K457 VanDerWaalsContact C-N 3.26Å; A455-K457 PolarHBondContact O-N 3.39Å; K457-K460 WeakPolarHBondContact O-CB 3.26Å; K457-K460 PolarHBondContact O-N 3.47Å; K457-V461 WeakPolarHBondContact O-CG2 3.43Å; K457-V461 PolarHBondContact O-N 3.36Å |
| 458 | F | 48.5 | Very low | 47.4 | Very low | 123 Ų | 123 | 91.8 Ų | 91.8 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 176.2 | -78.6 | -71.9 | 0 | 0 | 0 | 112.6 | E454 A455 K460 V461 Y462 | E454-F458 WeakPolarHBondContact O-CD2 3.49Å; E454-F458 PolarHBondContact O-N 3.42Å; A455-F458 CarbonylContact O-C 3.58Å; A455-F458 WeakPolarHBondContact O-CA 3.45Å; A455-F458 WeakPolarHBondContact O-CB 3.47Å; A455-F458 PolarHBondContact O-N 3.13Å; F458-K460 PolarHBondContact O-N 3.37Å; F458-V461 PolarHBondContact O-N 2.9Å; F458-Y462 PolarHBondContact O-N 2.72Å; F458-Y462 VanDerWaalsContact O-N 3.14Å |
| 459 | T | 48.4 | Very low | 46 | Very low | 42 Ų | 42 | 99.8 Ų | 99.8 | 26% | 0.258 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -36.1 | 175.8 | -7.4 | 0 | 0 | 0 | 0 | 110.9 | A455 V461 Y462 I463 | A455-T459 PolarHBondContact O-N 3.12Å; A455-T459 PolarHBondContact O-OG1 3.22Å; T459-V461 PolarHBondContact O-N 2.87Å; T459-Y462 PolarHBondContact O-N 2.68Å; T459-I463 HydrophobicContact CG2-CD1 3.55Å; T459-I463 HydrophobicContact CG2-CG1 4.18Å; T459-I463 WeakPolarHBondContact O-CB 3.25Å; T459-I463 WeakPolarHBondContact O-CD1 3.48Å; T459-I463 WeakPolarHBondContact O-CG1 3.3Å; T459-I463 PolarHBondContact O-N 3.01Å |
| 460 | K | 43.9 | Very low | 44.4 | Very low | 123 Ų | 123 | 104 Ų | 104 | 54% | 0.535 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -29.2 | 173.5 | -161.1 | 173.7 | -175.4 | 175.6 | 0 | 113.1 | A456 K457 F458 | A456-K460 WeakPolarHBondContact O-CB 3.24Å; A456-K460 PolarHBondContact O-N 3.13Å; A456-K460 VanDerWaalsContact O-N 3.08Å; K457-K460 WeakPolarHBondContact O-CB 3.26Å; K457-K460 PolarHBondContact O-N 3.47Å; F458-K460 PolarHBondContact O-N 3.37Å |
| 461 | V | 41.2 | Very low | 43.1 | Very low | 107 Ų | 107 | 103.2 Ų | 103.2 | 65% | 0.648 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -83.8 | -30.8 | 178.9 | 174.8 | 0 | 0 | 0 | 0 | 112.6 | K457 F458 T459 | K457-V461 WeakPolarHBondContact O-CG2 3.43Å; K457-V461 PolarHBondContact O-N 3.36Å; F458-V461 PolarHBondContact O-N 2.9Å; T459-V461 PolarHBondContact O-N 2.87Å |
| 462 | Y | 36.6 | Very low | 41.8 | Very low | 159 Ų | 159 | 110.8 Ų | 110.8 | 62% | 0.624 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -95.4 | -17.7 | -176.2 | -83.9 | -87.3 | 0 | 0 | 0 | 114.8 | F458 T459 | F458-Y462 PolarHBondContact O-N 2.72Å; F458-Y462 VanDerWaalsContact O-N 3.14Å; T459-Y462 PolarHBondContact O-N 2.68Å |
| 463 | I | 41.4 | Very low | 40.1 | Very low | 66 Ų | 66 | 119.9 Ų | 119.9 | 34% | 0.338 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -80 | -17.7 | 179 | -69 | 170.9 | 0 | 0 | 0 | 112.6 | T459 P465 | T459-I463 HydrophobicContact CG2-CD1 3.55Å; T459-I463 HydrophobicContact CG2-CG1 4.18Å; T459-I463 WeakPolarHBondContact O-CB 3.25Å; T459-I463 WeakPolarHBondContact O-CD1 3.48Å; T459-I463 WeakPolarHBondContact O-CG1 3.3Å; T459-I463 PolarHBondContact O-N 3.01Å; I463-P465 VanDerWaalsContact C-CD 3.46Å; I463-P465 WeakPolarHBondContact O-CD 3.19Å |
| 464 | D | 31.6 | Very low | 38.6 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 43% | 0.428 | 60% | 0.595 | S | S | . | * | trans | -112.5 | 76.5 | 178.5 | -83.1 | -31 | 0 | 0 | 0 | 114.7 | ||||
| 465 | P | 34.8 | Very low | 37.3 | Very low | 83 Ų | 83 | 119.7 Ų | 119.7 | 54% | 0.539 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -82.9 | -6.9 | 167.8 | -3.9 | 20 | 0 | 0 | 0 | 114.2 | I463 | I463-P465 VanDerWaalsContact C-CD 3.46Å; I463-P465 WeakPolarHBondContact O-CD 3.19Å |
| 466 | Y | 32.3 | Very low | 36.2 | Very low | 177 Ų | 177 | 126.6 Ų | 126.6 | 69% | 0.694 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -115.2 | -0.7 | -157.1 | -83.8 | -78.4 | 0 | 0 | 0 | 118 | ||
| 467 | H | 32.9 | Very low | 34.9 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 67% | 0.667 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -111.7 | -3 | -177.1 | -105.3 | -71.4 | 0 | 0 | 0 | 117.1 | K469 | H467-K469 PolarHBondContact O-N 3Š|
| 468 | S | 31.8 | Very low | 33.9 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 7.5 | -178.2 | 65 | 0 | 0 | 0 | 0 | 116 | ||
| 469 | K | 30 | Very low | 32.8 | Very low | 193 Ų | 193 | 130.2 Ų | 130.2 | 84% | 0.839 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | -0.2 | -176.2 | -90.3 | -175 | 176.1 | -179.5 | 0 | 117.5 | H467 | H467-K469 PolarHBondContact O-N 3Š|
| 470 | N | 27.7 | Very low | 31.9 | Very low | 152 Ų | 152 | 134.5 Ų | 134.5 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -129.2 | 18.8 | -173.5 | -79.1 | -17 | 0 | 0 | 0 | 115.9 | ||
| 471 | I | 29.9 | Very low | 31.3 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 65% | 0.651 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -134.8 | 69.4 | 179.8 | -51 | 175.4 | 0 | 0 | 0 | 108.8 | ||
| 472 | H | 29.9 | Very low | 30.6 | Very low | 193 Ų | 193 | 139.9 Ų | 139.9 | 89% | 0.894 | 72% | 0.721 | S | S | * | * | trans | -174.3 | 68.2 | 155.8 | -87.1 | -55.3 | 0 | 0 | 0 | 107.6 | ||||
| 473 | Q | 26.9 | Very low | 30.3 | Very low | 204 Ų | 204 | 137.7 Ų | 137.7 | 95% | 0.953 | 73% | 0.729 | S | S | * | * | trans | -152.3 | 67.8 | 165 | -121.2 | 171.4 | 4.3 | 0 | 0 | 109.7 | ||||
| 474 | S | 26.6 | Very low | 29.7 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -135.4 | 133 | 154 | 53.8 | 0 | 0 | 0 | 0 | 107 | ||
| 475 | S | 28.6 | Very low | 29.6 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 84.7 | 117.4 | -179.3 | 75.7 | 0 | 0 | 0 | 0 | 117.9 | ||
| 476 | L | 30.5 | Very low | 29.1 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | trans | 89.3 | 78.9 | 155.8 | -60.2 | 155.1 | 0 | 0 | 0 | 118.3 | ||||
| 477 | L | 26.3 | Very low | 28.8 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -30.7 | 163.6 | 134.6 | -81.7 | 174.3 | 0 | 0 | 0 | 115.4 | ||||
| 478 | P | 31.8 | Very low | 28.5 | Very low | 93 Ų | 93 | 140.9 Ų | 140.9 | 60% | 0.604 | 79% | 0.787 | S | S | * | * | cis | -145.3 | -179.5 | -0.3 | 37.3 | -15.1 | 0 | 0 | 0 | 116.8 | ||||
| 479 | D | 26.6 | Very low | 28.1 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | 79.9 | 108.8 | 145.2 | -59.3 | -22.9 | 0 | 0 | 0 | 121.5 | ||||
| 480 | D | 29.7 | Very low | 27.9 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | 123.6 | 131.6 | 117.6 | -83.9 | -18.5 | 0 | 0 | 0 | 119.3 | |||||
| 481 | F | 29.8 | Very low | 27.7 | Very low | 187 Ų | 187 | 135.5 Ų | 135.5 | 82% | 0.82 | 77% | 0.774 | S | S | * | * | trans | 89.9 | 75.7 | 166 | -65.6 | -74.5 | 0 | 0 | 0 | 120.8 | ||||
| 482 | N | 26.6 | Very low | 27.6 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | -1.7 | 125.2 | 122.3 | -84.3 | -28.2 | 0 | 0 | 0 | 118.2 | |||||
| 483 | S | 31.4 | Very low | 27.4 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | -171 | 108.7 | 118.4 | 61.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 484 | N | 28.9 | Very low | 27.4 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | 24.7 | 145.5 | 148.2 | -71.5 | -22.1 | 0 | 0 | 0 | 125.3 | ||||
| 485 | P | 28.4 | Very low | 27.4 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | trans | -100.4 | 141.6 | -174.7 | 38 | -26.7 | 0 | 0 | 0 | 113.1 | ||||
| 486 | S | 24.8 | Very low | 27.2 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -166.8 | 142.8 | 152.7 | 52 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 487 | S | 25.8 | Very low | 27 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | 69.9 | 106.9 | 161.9 | 76.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 488 | T | 26.7 | Very low | 26.9 | Very low | 128 Ų | 128 | 139 Ų | 139 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | 170.4 | 128.4 | 96.4 | 19.2 | 0 | 0 | 0 | 0 | 111.1 | V490 | T488-V490 PolarHBondContact O-N 2.98Š| |||
| 489 | V | 23.7 | Very low | 26.7 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -57.9 | 120.6 | 160 | 172 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 490 | V | 25.2 | Very low | 26.6 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | -132.3 | 110.6 | 169.1 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | T488 | T488-V490 PolarHBondContact O-N 2.98Š| ||
| 491 | S | 24.1 | Very low | 26.5 | Very low | 86 Ų | 86 | 144.9 Ų | 144.9 | 60% | 0.601 | 80% | 0.803 | S | S | * | * | trans | -53 | 130.1 | 158.2 | 52.9 | 0 | 0 | 0 | 0 | 112.2 | K493 | S491-K493 PolarHBondContact O-N 2.85Å; S491-K493 VanDerWaalsContact O-N 3.15Å | ||
| 492 | H | 27.3 | Very low | 26.6 | Very low | 198 Ų | 198 | 143.7 Ų | 143.7 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -80.9 | 89 | 159.2 | -97.2 | -82.1 | 0 | 0 | 0 | 109.6 | ||||
| 493 | K | 25.1 | Very low | 26.5 | Very low | 169 Ų | 169 | 145 Ų | 145 | 74% | 0.735 | 80% | 0.801 | S | S | * | * | trans | -75.3 | 122.8 | 156.1 | -88.8 | 177.6 | 171.8 | 175.7 | 0 | 108.1 | S491 R495 | S491-K493 PolarHBondContact O-N 2.85Å; S491-K493 VanDerWaalsContact O-N 3.15Å; K493-R495 VanDerWaalsContact C-N 3.33Å; K493-R495 PolarHBondContact O-N 3.45Å | ||
| 494 | S | 27 | Very low | 26.3 | Very low | 128 Ų | 128 | 143.1 Ų | 143.1 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -70.1 | 94.8 | 155.5 | 48.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 495 | R | 26.4 | Very low | 26.2 | Very low | 219 Ų | 219 | 144.3 Ų | 144.3 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -80.9 | 132.4 | -177.9 | -134.4 | 173.5 | 171 | 170.8 | -5.6 | 109.6 | K493 | K493-R495 VanDerWaalsContact C-N 3.33Å; K493-R495 PolarHBondContact O-N 3.45Å | ||
| 496 | T | 25.9 | Very low | 26 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -43 | 130.8 | 154.5 | 35.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 497 | L | 24.6 | Very low | 26.1 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 94% | 0.942 | 80% | 0.796 | S | S | * | * | trans | -100.7 | 93.5 | 172.6 | -148.9 | 100.7 | 0 | 0 | 0 | 108.9 | ||||
| 498 | T | 25.3 | Very low | 26.1 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -131.7 | 134.3 | 157.4 | 39.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 499 | K | 26.5 | Very low | 26.2 | Very low | 199 Ų | 199 | 144.3 Ų | 144.3 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | trans | 102.3 | 117.4 | 164.9 | -66.6 | -175.9 | 173.1 | 179.8 | 0 | 119.9 | ||||
| 500 | S | 25.1 | Very low | 26.3 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | 69.5 | 106.1 | 136.6 | 62.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 501 | I | 28.6 | Very low | 26.5 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -124.1 | 120.9 | 142.6 | -67.5 | 179 | 0 | 0 | 0 | 107.2 | ||||
| 502 | Q | 30.4 | Very low | 26.6 | Very low | 161 Ų | 161 | 147.4 Ų | 147.4 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | -68.4 | 146.1 | 172.4 | -82.1 | 163.4 | -73 | 0 | 0 | 111.7 | ||||
| 503 | E | 24.7 | Very low | 26.5 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | 31.3 | 123.7 | 136.2 | -61.1 | 174.8 | 164.1 | 0 | 0 | 119.5 | ||||
| 504 | G | 27.8 | Very low | 26.6 | Very low | 74 Ų | 74 | 148.7 Ų | 148.7 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | trans | 162.1 | 74.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 505 | H | 26.6 | Very low | 26.6 | Very low | 184 Ų | 184 | 152.1 Ų | 152.1 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | trans | 25.4 | 125.4 | 144.7 | -77.2 | -70.9 | 0 | 0 | 0 | 122.2 | ||||
| 506 | C | 23.7 | Very low | 26.7 | Very low | 112 Ų | 112 | 148.5 Ų | 148.5 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | 127 | 134.9 | 107.5 | -113.1 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 507 | S | 27.7 | Very low | 26.9 | Very low | 100 Ų | 100 | 148.3 Ų | 148.3 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | trans | 67 | 108.5 | 156 | 57.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 508 | S | 26.2 | Very low | 27.2 | Very low | 109 Ų | 109 | 150.9 Ų | 150.9 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | 83.9 | 106.9 | 53.2 | 76.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 509 | T | 28.5 | Very low | 27.3 | Very low | 137 Ų | 137 | 154.4 Ų | 154.4 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -168.6 | 81.4 | 152.4 | 1.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 510 | S | 26.6 | Very low | 27.4 | Very low | 106 Ų | 106 | 152.3 Ų | 152.3 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | 60.1 | 94 | 96.4 | 74 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 511 | L | 29.1 | Very low | 27.5 | Very low | 177 Ų | 177 | 155.6 Ų | 155.6 | 93% | 0.927 | 81% | 0.81 | S | S | * | * | trans | -132.6 | 113.1 | 151.1 | -101.2 | 158 | 0 | 0 | 0 | 108.1 | ||||
| 512 | T | 24.8 | Very low | 27.6 | Very low | 126 Ų | 126 | 155.9 Ų | 155.9 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -64.2 | 131.8 | -177.1 | 46.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 513 | F | 26.4 | Very low | 27.7 | Very low | 213 Ų | 213 | 156.4 Ų | 156.4 | 93% | 0.934 | 81% | 0.807 | S | S | * | * | trans | -124.9 | 119.2 | 152.5 | -134 | -94.9 | 0 | 0 | 0 | 109.3 | K515 | F513-K515 PolarHBondContact O-N 3Š| ||
| 514 | K | 26.9 | Very low | 28.7 | Very low | 182 Ų | 182 | 153.1 Ų | 153.1 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -56.1 | 129.9 | -174.9 | -88.1 | 170.9 | 167.7 | 174.1 | 0 | 111.5 | D516 | K514-D516 PolarHBondContact O-N 3.48Š| ||
| 515 | K | 26.2 | Very low | 29.2 | Very low | 199 Ų | 199 | 151.6 Ų | 151.6 | 87% | 0.865 | 77% | 0.774 | S | S | * | * | trans | -59.7 | 112.3 | 152.7 | -93 | 174.2 | 170.3 | 172.9 | 0 | 108.3 | F513 | F513-K515 PolarHBondContact O-N 3Š| ||
| 516 | D | 29.4 | Very low | 29.7 | Very low | 143 Ų | 143 | 149.1 Ų | 149.1 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | -108.1 | 100 | 155.8 | -97.4 | -36 | 0 | 0 | 0 | 109.1 | K514 R518 | K514-D516 PolarHBondContact O-N 3.48Å; D516-R518 PolarHBondContact O-N 3.22Å | ||
| 517 | T | 29.4 | Very low | 30.6 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | trans | -69.6 | 107.6 | 162.7 | 40.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 518 | R | 30.7 | Very low | 31.2 | Very low | 233 Ų | 233 | 148.5 Ų | 148.5 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | trans | -138 | 92.8 | 158.1 | -76.9 | -168.5 | -179.9 | -178.8 | 0.4 | 111.8 | D516 | D516-R518 PolarHBondContact O-N 3.22Š| ||
| 519 | K | 29 | Very low | 31.6 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | 24.7 | 117.9 | 128.6 | -77.2 | -175.8 | 179.3 | 179.5 | 0 | 117.9 | |||||
| 520 | M | 27.2 | Very low | 32.4 | Very low | 156 Ų | 156 | 148.3 Ų | 148.3 | 77% | 0.768 | 73% | 0.734 | S | S | * | * | 85.1 | 127.4 | 121.9 | -125.1 | 156.3 | 119.1 | 0 | 0 | 119.6 | |||||
| 521 | K | 27.7 | Very low | 32.9 | Very low | 175 Ų | 175 | 151.3 Ų | 151.3 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | trans | 86.9 | 90.5 | 158.6 | -59 | -179.1 | 177.7 | 178.9 | 0 | 117.7 | ||||
| 522 | W | 30.2 | Very low | 33.3 | Very low | 181 Ų | 181 | 146.9 Ų | 146.9 | 69% | 0.686 | 72% | 0.718 | S | S | * | * | trans | -149.1 | 32.8 | 152.1 | -133 | 74.5 | 0 | 0 | 0 | 115.7 | T524 N525 | W522-T524 PolarHBondContact O-N 2.55Å; W522-N525 HydrophobicContact CD2-CB 3.92Å; W522-N525 HydrophobicContact CE3-CB 3.62Å; W522-N525 HydrophobicContact CH2-CB 3.23Å; W522-N525 HydrophobicContact CZ2-CB 3.54Å; W522-N525 VanDerWaalsContact CZ2-CG 3.5Å; W522-N525 WeakPolarHBondContact CZ2-ND2 3.38Å; W522-N525 HydrophobicContact CZ3-CB 3.27Å; W522-N525 PolarHBondContact NE1-ND2 3.12Å | ||
| 523 | L | 32.8 | Very low | 33.8 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 90% | 0.901 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 18.2 | 169.4 | -101.7 | 159.8 | 0 | 0 | 0 | 113.5 | ||
| 524 | T | 45.5 | Very low | 34.3 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | 10.2 | -174.2 | 49 | 0 | 0 | 0 | 0 | 114.6 | W522 | W522-T524 PolarHBondContact O-N 2.55Š|
| 525 | N | 38.2 | Very low | 34.5 | Very low | 43 Ų | 43 | 145.8 Ų | 145.8 | 23% | 0.23 | 71% | 0.708 | C | S | . | * | trans | -126.8 | 16.2 | -176.1 | -86.7 | -44.6 | 0 | 0 | 0 | 115.7 | W522 P527 N528 | W522-N525 HydrophobicContact CD2-CB 3.92Å; W522-N525 HydrophobicContact CE3-CB 3.62Å; W522-N525 HydrophobicContact CH2-CB 3.23Å; W522-N525 HydrophobicContact CZ2-CB 3.54Å; W522-N525 VanDerWaalsContact CZ2-CG 3.5Å; W522-N525 WeakPolarHBondContact CZ2-ND2 3.38Å; W522-N525 HydrophobicContact CZ3-CB 3.27Å; W522-N525 PolarHBondContact NE1-ND2 3.12Å; N525-P527 VanDerWaalsContact C-N 3.26Å; N525-N528 PolarHBondContact O-N 3.28Å; N525-N528 PolarHBondContact OD1-ND2 2.99Å | ||
| 526 | L | 37.8 | Very low | 34.7 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -56.8 | -26.8 | 172.9 | -138.5 | 75.7 | 0 | 0 | 0 | 114.8 | N528 | L526-N528 VanDerWaalsContact C-N 3.34Å; L526-N528 PolarHBondContact O-N 3.07Å |
| 527 | P | 41.7 | Very low | 34.7 | Very low | 98 Ų | 98 | 144.5 Ų | 144.5 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -76.1 | -12.9 | 174.4 | -15.8 | 30.8 | 0 | 0 | 0 | 115.2 | N525 | N525-P527 VanDerWaalsContact C-N 3.26Å |
| 528 | N | 41 | Very low | 34.4 | Very low | 100 Ų | 100 | 149.8 Ų | 149.8 | 54% | 0.535 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -99.7 | -19.4 | -177.2 | -73 | -27.7 | 0 | 0 | 0 | 113.5 | N525 L526 | N525-N528 PolarHBondContact O-N 3.28Å; N525-N528 PolarHBondContact OD1-ND2 2.99Å; L526-N528 VanDerWaalsContact C-N 3.34Å; L526-N528 PolarHBondContact O-N 3.07Å |
| 529 | M | 35.3 | Very low | 34.4 | Very low | 123 Ų | 123 | 145 Ų | 145 | 61% | 0.606 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -76.1 | -23.3 | 179.2 | -144.1 | 179.1 | 85.3 | 0 | 0 | 113 | S532 | M529-S532 PolarHBondContact O-OG 2.77Å |
| 530 | I | 43.7 | Very low | 34.3 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 61% | 0.61 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -24.6 | 177.6 | -60.3 | 176.4 | 0 | 0 | 0 | 111.4 | ||
| 531 | K | 39 | Very low | 34.5 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 74% | 0.735 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -16.3 | 173.5 | -95.6 | 179.1 | 176 | 176 | 0 | 114.1 | ||
| 532 | S | 35.8 | Very low | 34.4 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 59% | 0.587 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -9.2 | 176.5 | 52.8 | 0 | 0 | 0 | 0 | 114.7 | M529 | M529-S532 PolarHBondContact O-OG 2.77Š|
| 533 | L | 36.4 | Very low | 34.4 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 71% | 0.712 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -83.4 | -9.7 | 178 | -82.5 | 158.6 | 0 | 0 | 0 | 113.7 | ||
| 534 | F | 37.3 | Very low | 34.1 | Very low | 189 Ų | 189 | 146 Ų | 146 | 83% | 0.829 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -125.1 | 26.8 | -174.8 | -78.3 | -79.2 | 0 | 0 | 0 | 114.9 | ||
| 535 | K | 30.4 | Very low | 33.2 | Very low | 174 Ų | 174 | 149.2 Ų | 149.2 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -125.1 | 128.9 | 167.8 | -88 | -173.1 | 174.6 | -175.2 | 0 | 111.2 | K537 | K535-K537 PolarHBondContact O-N 2.84Š|
| 536 | P | 30.4 | Very low | 32.6 | Very low | 127 Ų | 127 | 155 Ų | 155 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -72.1 | 110.1 | 172.5 | 30.1 | -29.5 | 0 | 0 | 0 | 108.3 | R538 | P536-R538 PolarHBondContact O-N 3.11Š| ||
| 537 | K | 28.6 | Very low | 32.2 | Very low | 187 Ų | 187 | 153.1 Ų | 153.1 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | trans | -79.3 | 101.5 | 171.9 | -91.6 | -176.1 | 173.7 | 179.7 | 0 | 109.5 | K535 | K535-K537 PolarHBondContact O-N 2.84Š| ||
| 538 | R | 24.6 | Very low | 31.5 | Very low | 236 Ų | 236 | 160 Ų | 160 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | trans | -61.9 | 125.4 | 142.2 | -95.7 | 177.8 | 169.9 | 164.7 | -4.4 | 107 | P536 | P536-R538 PolarHBondContact O-N 3.11Š| ||
| 539 | N | 29.9 | Very low | 30.9 | Very low | 134 Ų | 134 | 163.6 Ų | 163.6 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | trans | -152.8 | 104.5 | 159.4 | -103.1 | 4.1 | 0 | 0 | 0 | 108.4 | ||||
| 540 | E | 27.4 | Very low | 30.5 | Very low | 188 Ų | 188 | 167 Ų | 167 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -59.4 | 130.7 | 148.8 | -68 | 170.4 | 137.6 | 0 | 0 | 108.5 | ||||
| 541 | Q | 31.9 | Very low | 29.7 | Very low | 179 Ų | 179 | 166 Ų | 166 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -168.8 | 110.9 | 147.2 | -108.3 | 165.9 | 12.1 | 0 | 0 | 109.7 | ||||
| 542 | S | 24.9 | Very low | 29.1 | Very low | 99 Ų | 99 | 163.8 Ų | 163.8 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | -36.1 | 138.3 | 155.9 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 543 | R | 29.4 | Very low | 28.6 | Very low | 229 Ų | 229 | 167.5 Ų | 167.5 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | 166.5 | 120.3 | 125.7 | -90.4 | 162.8 | -174.4 | -170.1 | 2.3 | 113 | |||||
| 544 | K | 27.9 | Very low | 28.1 | Very low | 205 Ų | 205 | 170 Ų | 170 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | 59.3 | 117 | 137.2 | -66.9 | -176.9 | 173.9 | -176.5 | 0 | 120.6 | ||||
| 545 | M | 25.3 | Very low | 27.4 | Very low | 182 Ų | 182 | 166.2 Ų | 166.2 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -43.5 | 146.8 | 162.6 | -94.4 | 172 | 154.6 | 0 | 0 | 115.6 | ||||
| 546 | D | 27 | Very low | 27.1 | Very low | 164 Ų | 164 | 166.4 Ų | 166.4 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -134.9 | 121.2 | 143.6 | -134 | -11.9 | 0 | 0 | 0 | 108 | ||||
| 547 | P | 27.6 | Very low | 26.8 | Very low | 94 Ų | 94 | 167.9 Ų | 167.9 | 61% | 0.61 | 82% | 0.815 | S | S | * | * | trans | -104.7 | 113.4 | -171.3 | 34.7 | -25 | 0 | 0 | 0 | 111.3 | ||||
| 548 | R | 27.8 | Very low | 26.7 | Very low | 242 Ų | 242 | 164.9 Ų | 164.9 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | -170 | 79.4 | 164.6 | -105 | 168.1 | -154.4 | -163.6 | 6.5 | 110.8 | ||||
| 549 | L | 29.3 | Very low | 26.6 | Very low | 175 Ų | 175 | 164.8 Ų | 164.8 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -161 | 84 | 149.7 | -125.8 | 110 | 0 | 0 | 0 | 107.7 | ||||
| 550 | Q | 25.5 | Very low | 26.4 | Very low | 195 Ų | 195 | 163.6 Ų | 163.6 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | trans | -85.4 | 122.3 | 168.8 | -88.1 | 175.1 | -29.6 | 0 | 0 | 108.5 | ||||
| 551 | S | 28.1 | Very low | 26.3 | Very low | 98 Ų | 98 | 159.8 Ų | 159.8 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | trans | -133.4 | 96.2 | 157 | 57.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 552 | T | 26.5 | Very low | 25.9 | Very low | 122 Ų | 122 | 157.4 Ų | 157.4 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | 43.1 | 123.4 | 140.7 | 51 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 553 | Q | 24.8 | Very low | 25.9 | Very low | 162 Ų | 162 | 159.4 Ų | 159.4 | 76% | 0.757 | 81% | 0.808 | S | S | * | * | cis | -167 | 129.5 | 4.4 | -90.1 | 162.4 | -29.3 | 0 | 0 | 101 | ||||
| 554 | Y | 24.8 | Very low | 25.8 | Very low | 189 Ų | 189 | 156.4 Ų | 156.4 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | -155.4 | 102 | 77.3 | -79.6 | -90.1 | 0 | 0 | 0 | 108 | |||||
| 555 | S | 22.8 | Very low | 25.6 | Very low | 109 Ų | 109 | 152.5 Ų | 152.5 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -143.9 | 108.1 | 157.8 | 68.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 556 | M | 25.4 | Very low | 25.9 | Very low | 179 Ų | 179 | 149.2 Ų | 149.2 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -131.1 | 117.4 | 163.5 | -81.3 | -136.5 | -148.1 | 0 | 0 | 107.8 | ||||
| 557 | L | 24.6 | Very low | 26.2 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 80 | 73.5 | 153.3 | -57.4 | 160.1 | 0 | 0 | 0 | 117.4 | ||||
| 558 | T | 25.1 | Very low | 26.5 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | trans | -119.9 | 92.4 | 142.1 | 44.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 559 | R | 23.9 | Very low | 26.7 | Very low | 234 Ų | 234 | 142.2 Ų | 142.2 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | trans | -135.5 | 115.8 | 164.4 | -120.2 | -178.1 | -179.2 | 178.6 | -0.7 | 107.9 | ||||
| 560 | S | 23.9 | Very low | 26.9 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | trans | 51.6 | 100.8 | 158.2 | 61.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 561 | S | 25.9 | Very low | 27.2 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | 178.3 | 115.9 | 123.2 | 33.4 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 562 | T | 24 | Very low | 27.3 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -50.7 | 154.9 | 148.4 | 44.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 563 | I | 24.4 | Very low | 27.8 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 73% | 0.728 | 73% | 0.733 | S | S | * | * | trans | 92.7 | 101.1 | -179 | -50.1 | 154.2 | 0 | 0 | 0 | 111.4 | ||||
| 564 | F | 26.4 | Very low | 28.1 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | trans | -172.8 | 92 | 142.4 | -91.6 | -62.9 | 0 | 0 | 0 | 108.3 | S568 | F564-S568 WeakPolarHBondContact CD1-OG 3.45Š| ||
| 565 | D | 24.5 | Very low | 28.3 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 65% | 0.652 | 73% | 0.728 | S | S | * | * | trans | -67.5 | 143 | 163 | -72.3 | -45.1 | 0 | 0 | 0 | 109.4 | E567 S568 | D565-E567 PolarHBondContact O-N 3.16Å; D565-S568 PolarHBondContact O-N 2.89Å; D565-S568 PolarHBondContact O-OG 2.88Å | ||
| 566 | P | 32.4 | Very low | 28.5 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -6.6 | 179.3 | 11.3 | -9.5 | 0 | 0 | 0 | 114.1 | ||
| 567 | E | 32.6 | Very low | 28.6 | Very low | 171 Ų | 171 | 130.7 Ų | 130.7 | 80% | 0.799 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -15.2 | 177.2 | -66.5 | -174.9 | 163 | 0 | 0 | 113.7 | D565 | D565-E567 PolarHBondContact O-N 3.16Š|
| 568 | S | 33.6 | Very low | 28.8 | Very low | 64 Ų | 64 | 128 Ų | 128 | 45% | 0.448 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.6 | 0.1 | -177.2 | 80.1 | 0 | 0 | 0 | 0 | 115 | F564 D565 | F564-S568 WeakPolarHBondContact CD1-OG 3.45Å; D565-S568 PolarHBondContact O-N 2.89Å; D565-S568 PolarHBondContact O-OG 2.88Å |
| 569 | L | 32.7 | Very low | 29 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 62% | 0.618 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 1 | -178.5 | -97.4 | 129.7 | 0 | 0 | 0 | 114.2 | N571 | L569-N571 PolarHBondContact O-N 2.92Š|
| 570 | N | 33 | Very low | 29.7 | Very low | 140 Ų | 140 | 121.2 Ų | 121.2 | 75% | 0.749 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 9.1 | -173.6 | -85.4 | -15.6 | 0 | 0 | 0 | 115.8 | ||
| 571 | N | 32.2 | Very low | 30.6 | Very low | 142 Ų | 142 | 119.5 Ų | 119.5 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 1.7 | -168.1 | -73.7 | -17.9 | 0 | 0 | 0 | 117.1 | L569 | L569-N571 PolarHBondContact O-N 2.92Š|
| 572 | D | 30.8 | Very low | 32.2 | Very low | 113 Ų | 113 | 116 Ų | 116 | 60% | 0.604 | 63% | 0.626 | S | S | * | * | trans | -112.2 | 110 | 177.4 | -89.5 | -24.8 | 0 | 0 | 0 | 113.2 | Y574 Q575 | D572-Y574 PolarHBondContact O-N 3.13Å; D572-Y574 VanDerWaalsContact O-N 3.16Å; D572-Q575 PolarHBondContact O-N 3.19Å | ||
| 573 | P | 35 | Very low | 34.3 | Very low | 100 Ų | 100 | 113.9 Ų | 113.9 | 65% | 0.649 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -6.7 | -172.6 | 26.6 | -32.7 | 0 | 0 | 0 | 115.2 | S576 | P573-S576 PolarHBondContact O-OG 3.37Š|
| 574 | Y | 31.4 | Very low | 36.7 | Very low | 213 Ų | 213 | 109 Ų | 109 | 84% | 0.835 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -9.2 | 178.5 | -78.8 | -84.5 | 0 | 0 | 0 | 114.2 | D572 | D572-Y574 PolarHBondContact O-N 3.13Å; D572-Y574 VanDerWaalsContact O-N 3.16Å |
| 575 | Q | 28.9 | Very low | 39 | Very low | 119 Ų | 119 | 102 Ų | 102 | 56% | 0.556 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -14.8 | 175.2 | -82.2 | -177.6 | -3.1 | 0 | 0 | 113.8 | D572 S577 L578 | D572-Q575 PolarHBondContact O-N 3.19Å; Q575-S577 VanDerWaalsContact C-N 3.33Å; Q575-S577 PolarHBondContact O-N 3.12Å; Q575-L578 PolarHBondContact O-N 2.83Å |
| 576 | S | 28.1 | Very low | 41.4 | Very low | 70 Ų | 70 | 104.1 Ų | 104.1 | 49% | 0.49 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.4 | -33.8 | 179 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | P573 L578 L579 | P573-S576 PolarHBondContact O-OG 3.37Å; S576-L578 PolarHBondContact O-N 2.97Å; S576-L579 PolarHBondContact O-N 3.1Å |
| 577 | S | 28 | Very low | 43.8 | Very low | 91 Ų | 91 | 99.6 Ų | 99.6 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -71.6 | -15.5 | -179.3 | 72.8 | 0 | 0 | 0 | 0 | 114.5 | Q575 | Q575-S577 VanDerWaalsContact C-N 3.33Å; Q575-S577 PolarHBondContact O-N 3.12Å |
| 578 | L | 27.3 | Very low | 46.3 | Very low | 100 Ų | 100 | 91.6 Ų | 91.6 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -95.3 | -16.3 | -179.5 | -114.3 | 144.2 | 0 | 0 | 0 | 112.5 | Q575 S576 | Q575-L578 PolarHBondContact O-N 2.83Å; S576-L578 PolarHBondContact O-N 2.97Å |
| 579 | L | 30.2 | Very low | 48.6 | Very low | 108 Ų | 108 | 89.3 Ų | 89.3 | 57% | 0.565 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -81.3 | -25.5 | 174.4 | -92 | 122.8 | 0 | 0 | 0 | 112.8 | S576 S581 N582 | S576-L579 PolarHBondContact O-N 3.1Å; L579-S581 VanDerWaalsContact C-N 3.3Å; L579-S581 PolarHBondContact O-N 3.34Å; L579-N582 PolarHBondContact O-N 2.83Å |
| 580 | D | 37.8 | Very low | 51 | Low | 107 Ų | 107 | 86.4 Ų | 86.4 | 57% | 0.572 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -64.9 | -25.3 | -174.7 | -96.8 | -10.1 | 0 | 0 | 0 | 114.8 | N582 | D580-N582 PolarHBondContact O-N 2.93Š|
| 581 | S | 43.2 | Very low | 53.5 | Low | 74 Ų | 74 | 79.7 Ų | 79.7 | 52% | 0.517 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -77.8 | -18.8 | -175.1 | 58.7 | 0 | 0 | 0 | 0 | 114.7 | L579 | L579-S581 VanDerWaalsContact C-N 3.3Å; L579-S581 PolarHBondContact O-N 3.34Å |
| 582 | N | 58.8 | Low | 56.1 | Low | 36 Ų | 36 | 73 Ų | 73 | 19% | 0.193 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -125.3 | 16.8 | -169.4 | -71.7 | -49.8 | 0 | 0 | 0 | 114.4 | L579 D580 W584 V585 | L579-N582 PolarHBondContact O-N 2.83Å; D580-N582 PolarHBondContact O-N 2.93Å; N582-W584 PolarHBondContact O-N 2.86Å; N582-V585 PolarHBondContact O-N 2.95Å; N582-V585 VanDerWaalsContact O-N 3.14Å |
| 583 | I | 69.6 | Low | 58.6 | Low | 82 Ų | 82 | 68 Ų | 68 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -54.9 | -35.4 | 179.1 | -69.7 | 166.9 | 0 | 0 | 0 | 112.1 | V585 Y586 N587 | I583-V585 VanDerWaalsContact C-N 3.33Å; I583-V585 PolarHBondContact O-N 3.41Å; I583-Y586 PolarHBondContact O-N 2.88Å; I583-N587 PolarHBondContact O-N 3.45Å; I583-N587 VanDerWaalsContact O-N 3.16Å; I583-N587 PolarHBondContact O-ND2 3.03Å |
| 584 | W | 74.9 | Confident | 61.1 | Low | 41 Ų | 41 | 63.9 Ų | 63.9 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -37.3 | -178.5 | 80.2 | -93.4 | 0 | 0 | 0 | 112.9 | N582 N587 Y588 A1066 A1069 Y1321 | N582-W584 PolarHBondContact O-N 2.86Å; W584-N587 PolarHBondContact O-N 3.01Å; W584-Y588 WeakPolarHBondContact O-CB 3.37Å; W584-Y588 PolarHBondContact O-N 2.8Å; W584-A1066 HydrophobicContact CH2-CB 4.04Å; W584-A1066 HydrophobicContact CZ2-CB 4.47Å; W584-A1069 HydrophobicContact CZ3-CB 3.97Å; W584-Y1321 HydrophobicContact CB-CD1 3.9Å; W584-Y1321 HydrophobicContact CB-CE1 3.44Å; W584-Y1321 VanDerWaalsContact CB-CE1 3.44Å; W584-Y1321 HydrophobicContact CB-CE2 4.09Å; W584-Y1321 HydrophobicContact CB-CG 4.43Å; W584-Y1321 HydrophobicContact CE3-CD2 4.44Å; W584-Y1321 HydrophobicContact CE3-CG 4.19Å; W584-Y1321 WeakPolarHBondContact O-CE2 3.41Å |
| 585 | V | 73.5 | Confident | 63.8 | Low | 19 Ų | 19 | 53.9 Ų | 53.9 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65 | -46.3 | 179.5 | -179 | 0 | 0 | 0 | 0 | 109.4 | N582 I583 N587 Y588 L589 | N582-V585 PolarHBondContact O-N 2.95Å; N582-V585 VanDerWaalsContact O-N 3.14Å; I583-V585 VanDerWaalsContact C-N 3.33Å; I583-V585 PolarHBondContact O-N 3.41Å; V585-N587 PolarHBondContact O-N 3.03Å; V585-Y588 PolarHBondContact O-N 2.68Å; V585-L589 HydrophobicContact CG1-CD1 3.76Å; V585-L589 HydrophobicContact CG1-CG 4.09Å; V585-L589 WeakPolarHBondContact O-CB 3.41Å; V585-L589 WeakPolarHBondContact O-CG 3.19Å; V585-L589 PolarHBondContact O-N 3.24Å |
| 586 | Y | 74.9 | Confident | 66.6 | Low | 165 Ų | 165 | 49.2 Ų | 49.2 | 65% | 0.647 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59.2 | -47.1 | 178.8 | 179.6 | -96.2 | 0 | 0 | 0 | 112.2 | I583 Y588 L589 H590 | I583-Y586 PolarHBondContact O-N 2.88Å; Y586-Y588 PolarHBondContact O-N 2.77Å; Y586-L589 PolarHBondContact O-N 3.29Å; Y586-H590 PolarHBondContact O-N 3.22Å |
| 587 | N | 83 | Confident | 69.4 | Low | 18 Ų | 18 | 47 Ų | 47 | 10% | 0.096 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 178.3 | -67.9 | -21.7 | 0 | 0 | 0 | 112.2 | I583 W584 V585 G591 Y1321 I1323 | I583-N587 PolarHBondContact O-N 3.45Å; I583-N587 VanDerWaalsContact O-N 3.16Å; I583-N587 PolarHBondContact O-ND2 3.03Å; W584-N587 PolarHBondContact O-N 3.01Å; V585-N587 PolarHBondContact O-N 3.03Å; N587-G591 PolarHBondContact O-N 2.94Å; N587-Y1321 HydrophobicContact CB-CE2 3.9Å; N587-Y1321 PolarHBondContact ND2-OH 3.12Å; N587-I1323 HydrophobicContact CB-CD1 3.88Å; N587-I1323 HydrophobicContact CB-CG1 4.21Å |
| 588 | Y | 85.3 | Confident | 72.2 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.5 | -48.4 | 175.2 | 176.4 | -102 | 0 | 0 | 0 | 111.6 | T438 N442 W584 V585 Y586 H590 G591 A592 S1063 F1068 A1069 V1322 | T438-Y588 HydrophobicContact CG2-CE2 4.11Å; N442-Y588 WeakPolarHBondContact ND2-CE2 3.4Å; N442-Y588 PolarHBondContact ND2-OH 3.1Å; N442-Y588 PolarHBondContact OD1-OH 2.92Å; W584-Y588 WeakPolarHBondContact O-CB 3.37Å; W584-Y588 PolarHBondContact O-N 2.8Å; V585-Y588 PolarHBondContact O-N 2.68Å; Y586-Y588 PolarHBondContact O-N 2.77Å; Y588-H590 VanDerWaalsContact C-N 3.28Å; Y588-H590 PolarHBondContact O-N 3.11Å; Y588-G591 CarbonylContact O-C 3.49Å; Y588-G591 PolarHBondContact O-N 3.24Å; Y588-G591 VanDerWaalsContact O-N 3.08Å; Y588-A592 HydrophobicContact CE1-CB 4.41Å; Y588-A592 WeakPolarHBondContact O-CB 3.46Å; Y588-A592 PolarHBondContact O-N 3.25Å; Y588-S1063 WeakPolarHBondContact CE1-O 3.48Å; Y588-S1063 PolarHBondContact OH-O 3.29Å; Y588-F1068 WeakPolarHBondContact OH-CD1 3.35Å; Y588-A1069 HydrophobicContact CD1-CB 4.09Å; Y588-A1069 HydrophobicContact CD2-CB 3.6Å; Y588-A1069 HydrophobicContact CE1-CB 3.94Å; Y588-A1069 HydrophobicContact CE2-CB 3.47Å; Y588-A1069 VanDerWaalsContact CE2-CB 3.47Å; Y588-A1069 HydrophobicContact CG-CB 3.94Å; Y588-V1322 VanDerWaalsContact CD2-O 3.29Å; Y588-V1322 WeakPolarHBondContact CD2-O 3.28Å |
| 589 | L | 81.8 | Confident | 75.2 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -35.1 | 179.9 | -66.2 | 173.8 | 0 | 0 | 0 | 112 | L452 A456 V585 Y586 A592 S593 L1064 | L452-L589 HydrophobicContact CD2-CB 4.25Å; L452-L589 HydrophobicContact CD2-CD2 3.41Å; L452-L589 VanDerWaalsContact CD2-CD2 3.41Å; L452-L589 HydrophobicContact CD2-CG 4.35Å; A456-L589 HydrophobicContact CB-CD1 3.69Å; V585-L589 HydrophobicContact CG1-CD1 3.76Å; V585-L589 HydrophobicContact CG1-CG 4.09Å; V585-L589 WeakPolarHBondContact O-CB 3.41Å; V585-L589 WeakPolarHBondContact O-CG 3.19Å; V585-L589 PolarHBondContact O-N 3.24Å; Y586-L589 PolarHBondContact O-N 3.29Å; L589-A592 PolarHBondContact O-N 3.4Å; L589-S593 PolarHBondContact O-N 2.91Å; L589-S593 VanDerWaalsContact O-N 3.16Å; L589-L1064 HydrophobicContact CD2-CD2 3.51Å |
| 590 | H | 83.4 | Confident | 78 | Confident | 57 Ų | 57 | 37 Ų | 37 | 26% | 0.264 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 171.2 | 179.8 | -77.5 | 0 | 0 | 0 | 111.1 | Y586 Y588 A592 S593 | Y586-H590 PolarHBondContact O-N 3.22Å; Y588-H590 VanDerWaalsContact C-N 3.28Å; Y588-H590 PolarHBondContact O-N 3.11Å; H590-A592 VanDerWaalsContact C-N 3.27Å; H590-A592 PolarHBondContact O-N 2.85Å; H590-S593 PolarHBondContact O-N 2.89Å; H590-S593 VanDerWaalsContact O-N 3.14Å; H590-S593 PolarHBondContact O-OG 3.09Å |
| 591 | G | 85.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.7 | -31.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N587 Y588 S593 M594 S1324 | N587-G591 PolarHBondContact O-N 2.94Å; Y588-G591 CarbonylContact O-C 3.49Å; Y588-G591 PolarHBondContact O-N 3.24Å; Y588-G591 VanDerWaalsContact O-N 3.08Å; G591-S593 VanDerWaalsContact C-N 3.28Å; G591-S593 PolarHBondContact O-N 2.85Å; G591-M594 PolarHBondContact O-N 2.99Å; G591-S1324 WeakPolarHBondContact CA-O 3.49Å; G591-S1324 WeakPolarHBondContact O-CB 2.93Å; G591-S1324 PolarHBondContact O-OG 3.07Å |
| 592 | A | 85.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.3 | -17.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | H447 Y588 L589 H590 M594 | H447-A592 PolarHBondContact CD2-O 2.83Å; Y588-A592 HydrophobicContact CE1-CB 4.41Å; Y588-A592 WeakPolarHBondContact O-CB 3.46Å; Y588-A592 PolarHBondContact O-N 3.25Å; L589-A592 PolarHBondContact O-N 3.4Å; H590-A592 VanDerWaalsContact C-N 3.27Å; H590-A592 PolarHBondContact O-N 2.85Å; A592-M594 VanDerWaalsContact C-N 3.31Å |
| 593 | S | 83.2 | Confident | 84.1 | Confident | 10 Ų | 10 | 30 Ų | 30 | 7% | 0.07 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -1.5 | 174.2 | 66.2 | 0 | 0 | 0 | 0 | 114.4 | L589 H590 G591 | L589-S593 PolarHBondContact O-N 2.91Å; L589-S593 VanDerWaalsContact O-N 3.16Å; H590-S593 PolarHBondContact O-N 2.89Å; H590-S593 VanDerWaalsContact O-N 3.14Å; H590-S593 PolarHBondContact O-OG 3.09Å; G591-S593 VanDerWaalsContact C-N 3.28Å; G591-S593 PolarHBondContact O-N 2.85Å |
| 594 | M | 88.7 | Confident | 84.9 | Confident | 13 Ų | 13 | 27.2 Ų | 27.2 | 6% | 0.064 | 13% | 0.13 | C | C | . | . | trans | -91.7 | 136.2 | -178.6 | -61.7 | -71.1 | 133.6 | 0 | 0 | 109.8 | L443 G591 A592 I705 D707 N1325 | L443-M594 WeakPolarHBondContact CA-O 3.47Å; L443-M594 HydrophobicContact CD2-CB 4.21Å; G591-M594 PolarHBondContact O-N 2.99Å; A592-M594 VanDerWaalsContact C-N 3.31Å; M594-I705 HydrophobicContact CB-CG2 3.7Å; M594-I705 HydrophobicContact CG-CG2 4.48Å; M594-D707 HydrophobicContact CE-CB 3.95Å; M594-N1325 HydrophobicContact CB-CB 4.47Å; M594-N1325 HydrophobicContact CG-CB 4.07Å; M594-N1325 HydrophobicContact SD-CB 4.24Å | ||
| 595 | E | 87.2 | Confident | 85.6 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 160.4 | -174.3 | -63.9 | 166.2 | -178.4 | 0 | 0 | 111.1 | L443 M446 H447 Y597 I705 C706 | L443-E595 CarbonylContact O-C 3.52Å; L443-E595 VanDerWaalsContact O-CA 3.25Å; L443-E595 WeakPolarHBondContact O-CA 3.28Å; M446-E595 WeakPolarHBondContact CA-OE1 3.46Å; M446-E595 HydrophobicContact CE-CB 4.13Å; M446-E595 HydrophobicContact CE-CG 3.64Å; M446-E595 WeakPolarHBondContact CE-OE1 3.12Å; M446-E595 WeakPolarHBondContact CE-OE2 3.42Å; M446-E595 VanDerWaalsContact SD-CD 3.59Å; H447-E595 PolarHBondContact N-OE1 3.3Å; E595-Y597 HydrophobicContact CB-CD2 4.25Å; E595-Y597 HydrophobicContact CB-CE2 3.64Å; E595-Y597 PolarHBondContact OE2-OH 3.09Å; E595-I705 VanDerWaalsContact O-CA 3.32Å; E595-I705 WeakPolarHBondContact O-CA 3.27Å; E595-C706 PolarHBondContact N-O 3.22Å; E595-C706 PolarHBondContact O-N 3.18Å; E595-C706 VanDerWaalsContact O-N 3.09Å |
| 596 | I | 88.5 | Confident | 86.3 | Confident | 20 Ų | 20 | 28.4 Ų | 28.4 | 10% | 0.103 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 126.5 | 174.6 | -62.9 | 160.9 | 0 | 0 | 0 | 109.9 | L443 F703 F704 I705 S1092 L1095 I1096 | L443-I596 HydrophobicContact CB-CD1 4.02Å; L443-I596 HydrophobicContact CB-CG1 4.05Å; L443-I596 HydrophobicContact CD1-CD1 4.31Å; L443-I596 HydrophobicContact CD1-CG1 4.4Å; L443-I596 PolarHBondContact O-N 2.96Å; I596-F703 HydrophobicContact CG2-CD1 4.41Å; I596-F704 WeakPolarHBondContact CA-O 3.44Å; I596-I705 HydrophobicContact CG1-CG1 4.21Å; I596-S1092 WeakPolarHBondContact CG2-OG 3.31Å; I596-L1095 HydrophobicContact CG2-CD2 4.34Å; I596-I1096 HydrophobicContact CD1-CG1 4.25Å |
| 597 | Y | 86.6 | Confident | 86.8 | Confident | 25 Ų | 25 | 22.8 Ų | 22.8 | 10% | 0.098 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 146.2 | 178.5 | -72.1 | -69.8 | 0 | 0 | 0 | 110.9 | E595 F703 F704 C706 S708 Q709 A712 | E595-Y597 HydrophobicContact CB-CD2 4.25Å; E595-Y597 HydrophobicContact CB-CE2 3.64Å; E595-Y597 PolarHBondContact OE2-OH 3.09Å; Y597-F703 CarbonylContact O-C 3.52Å; Y597-F703 WeakPolarHBondContact O-CA 3.48Å; Y597-F704 PolarHBondContact N-O 3.13Å; Y597-F704 PolarHBondContact O-N 2.96Å; Y597-C706 VanDerWaalsContact CD2-SG 3.56Å; Y597-S708 VanDerWaalsContact CE2-C 3.47Å; Y597-Q709 VanDerWaalsContact CB-OE1 3.3Å; Y597-Q709 HydrophobicContact CD1-CB 3.78Å; Y597-Q709 HydrophobicContact CD1-CG 4.4Å; Y597-Q709 HydrophobicContact CE1-CB 3.69Å; Y597-A712 HydrophobicContact CG-CB 4.43Å |
| 598 | S | 87.9 | Confident | 87 | Confident | 17 Ų | 17 | 23.8 Ų | 23.8 | 12% | 0.119 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 139.5 | 171.8 | 47.4 | 0 | 0 | 0 | 0 | 110.6 | G702 Q709 D1089 | S598-G702 WeakPolarHBondContact CA-O 3.29Å; S598-Q709 PolarHBondContact O-NE2 3.43Å; S598-D1089 PolarHBondContact OG-OD2 2.88Å |
| 599 | A | 88.9 | Confident | 87.1 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 149.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G702 F704 A712 | A599-G702 PolarHBondContact N-O 3.48Å; A599-G702 PolarHBondContact O-N 3.5Å; A599-F704 HydrophobicContact CB-CD2 4.2Å; A599-F704 HydrophobicContact CB-CE2 3.97Å; A599-A712 HydrophobicContact CB-CB 4.3Å |
| 600 | E | 90.7 | Very high | 87.5 | Confident | 69 Ų | 69 | 26.2 Ų | 26.2 | 32% | 0.322 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 137.1 | 177 | -67.9 | -176.3 | -179.6 | 0 | 0 | 112.2 | V701 T716 I777 | E600-V701 HydrophobicContact CG-CG2 4.22Å; E600-T716 WeakPolarHBondContact O-CA 3.44Å; E600-T716 WeakPolarHBondContact O-CB 3.26Å; E600-T716 PolarHBondContact O-OG1 3.32Å; E600-I777 HydrophobicContact CG-CD1 4.21Å; E600-I777 VanDerWaalsContact OE1-CD1 3.23Å; E600-I777 WeakPolarHBondContact OE1-CD1 3.2Å |
| 601 | F | 90.7 | Very high | 87.8 | Confident | 5 Ų | 5 | 24.2 Ų | 24.2 | 2% | 0.022 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 138 | 174.5 | -75.2 | -77.7 | 0 | 0 | 0 | 112.6 | F605 L625 V628 I696 T700 F704 V715 | F601-F605 HydrophobicContact CB-CB 4.17Å; F601-F605 HydrophobicContact CB-CD2 4.44Å; F601-F605 HydrophobicContact CD1-CB 3.85Å; F601-F605 AromaticContact CD1-CD1 3.86Å; F601-F605 HydrophobicContact CD1-CD1 3.86Å; F601-F605 AromaticContact CD1-CD2 3.7Å; F601-F605 HydrophobicContact CD1-CD2 3.7Å; F601-F605 HydrophobicContact CD1-CE1 4.31Å; F601-F605 HydrophobicContact CD1-CE2 4.16Å; F601-F605 AromaticContact CD1-CG 3.53Å; F601-F605 HydrophobicContact CD1-CG 3.53Å; F601-F605 HydrophobicContact CD1-CZ 4.44Å; F601-F605 HydrophobicContact CE1-CD1 4.02Å; F601-F605 HydrophobicContact CE1-CE1 4.25Å; F601-F605 HydrophobicContact CE1-CG 4.17Å; F601-F605 HydrophobicContact CG-CB 4.26Å; F601-F605 HydrophobicContact CG-CG 4.38Å; F601-L625 HydrophobicContact CE2-CD1 4.48Å; F601-L625 HydrophobicContact CZ-CD1 3.82Å; F601-L625 HydrophobicContact CZ-CD2 3.85Å; F601-V628 HydrophobicContact CE2-CG1 3.79Å; F601-V628 HydrophobicContact CZ-CG1 4.27Å; F601-I696 HydrophobicContact CB-CG2 3.98Å; F601-I696 HydrophobicContact CD1-CG2 4.35Å; F601-I696 HydrophobicContact CD2-CG2 3.67Å; F601-I696 HydrophobicContact CE1-CD1 4.45Å; F601-I696 HydrophobicContact CE2-CD1 4.25Å; F601-I696 HydrophobicContact CE2-CG2 4.23Å; F601-I696 HydrophobicContact CG-CG2 3.75Å; F601-I696 HydrophobicContact CZ-CD1 4.11Å; F601-T700 HydrophobicContact CD2-CG2 4.1Å; F601-T700 VanDerWaalsContact CD2-O 3.25Å; F601-T700 WeakPolarHBondContact CD2-O 3.46Å; F601-T700 HydrophobicContact CE2-CG2 4.41Å; F601-T700 PolarHBondContact N-O 3.38Å; F601-F704 HydrophobicContact CE1-CE1 4.32Å; F601-F704 AromaticContact CE1-CZ 3.81Å; F601-F704 HydrophobicContact CE1-CZ 3.81Å; F601-F704 HydrophobicContact CE2-CZ 4.33Å; F601-F704 HydrophobicContact CZ-CE1 4.24Å; F601-F704 AromaticContact CZ-CZ 3.65Å; F601-F704 HydrophobicContact CZ-CZ 3.65Å; F601-V715 HydrophobicContact CD1-CG1 3.33Å; F601-V715 HydrophobicContact CE1-CG1 3.7Å; F601-V715 HydrophobicContact CG-CG1 4.16Å |
| 602 | S | 89.4 | Confident | 88 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 167 | 169.9 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | A604 F605 V715 T716 Y718 | S602-A604 PolarHBondContact O-N 3.19Å; S602-F605 PolarHBondContact O-N 2.78Å; S602-F605 VanDerWaalsContact O-N 3.09Å; S602-F605 WeakPolarHBondContact OG-CD2 3.48Å; S602-V715 VanDerWaalsContact CB-O 3.23Å; S602-V715 WeakPolarHBondContact CB-O 3.45Å; S602-V715 PolarHBondContact N-O 3.02Å; S602-V715 PolarHBondContact OG-O 3.31Å; S602-T716 VanDerWaalsContact CB-O 3.24Å; S602-T716 WeakPolarHBondContact CB-O 3.43Å; S602-Y718 PolarHBondContact OG-O 3.12Å; S602-Y718 VanDerWaalsContact OG-O 3.12Å |
| 603 | I | 86.8 | Confident | 88.3 | Confident | 59 Ų | 59 | 28.4 Ų | 28.4 | 30% | 0.303 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -55.3 | -25.2 | 174.7 | -60.9 | 162.4 | 0 | 0 | 0 | 111.9 | F605 N606 Q698 | I603-F605 PolarHBondContact O-N 2.89Å; I603-N606 WeakPolarHBondContact O-CB 3.27Å; I603-N606 PolarHBondContact O-N 2.82Å; I603-N606 VanDerWaalsContact O-N 3.16Å; I603-Q698 HydrophobicContact CG1-CG 4.09Å |
| 604 | A | 86.9 | Confident | 88.7 | Confident | 24 Ų | 24 | 27.9 Ų | 27.9 | 20% | 0.198 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -62.5 | -21.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S602 Y718 I720 | S602-A604 PolarHBondContact O-N 3.19Å; A604-Y718 HydrophobicContact CB-CD1 4.01Å; A604-I720 HydrophobicContact CB-CD1 4.16Å; A604-I720 HydrophobicContact CB-CG1 4.09Å |
| 605 | F | 89.2 | Confident | 88.8 | Confident | 1 Ų | 1 | 29 Ų | 29 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -98.2 | -1.7 | 179.6 | -64.9 | -93.2 | 0 | 0 | 0 | 113.5 | F601 S602 I603 G607 L608 A613 I616 L621 I696 V715 Y718 | F601-F605 HydrophobicContact CB-CB 4.17Å; F601-F605 HydrophobicContact CB-CD2 4.44Å; F601-F605 HydrophobicContact CD1-CB 3.85Å; F601-F605 AromaticContact CD1-CD1 3.86Å; F601-F605 HydrophobicContact CD1-CD1 3.86Å; F601-F605 AromaticContact CD1-CD2 3.7Å; F601-F605 HydrophobicContact CD1-CD2 3.7Å; F601-F605 HydrophobicContact CD1-CE1 4.31Å; F601-F605 HydrophobicContact CD1-CE2 4.16Å; F601-F605 AromaticContact CD1-CG 3.53Å; F601-F605 HydrophobicContact CD1-CG 3.53Å; F601-F605 HydrophobicContact CD1-CZ 4.44Å; F601-F605 HydrophobicContact CE1-CD1 4.02Å; F601-F605 HydrophobicContact CE1-CE1 4.25Å; F601-F605 HydrophobicContact CE1-CG 4.17Å; F601-F605 HydrophobicContact CG-CB 4.26Å; F601-F605 HydrophobicContact CG-CG 4.38Å; S602-F605 PolarHBondContact O-N 2.78Å; S602-F605 VanDerWaalsContact O-N 3.09Å; S602-F605 WeakPolarHBondContact OG-CD2 3.48Å; I603-F605 PolarHBondContact O-N 2.89Å; F605-G607 PolarHBondContact O-N 2.98Å; F605-L608 HydrophobicContact CB-CD1 4.4Å; F605-L608 HydrophobicContact CD1-CD1 3.99Å; F605-L608 WeakPolarHBondContact O-CB 3.34Å; F605-L608 PolarHBondContact O-N 2.87Å; F605-L608 VanDerWaalsContact O-N 3.14Å; F605-A613 HydrophobicContact CD1-CB 3.86Å; F605-A613 HydrophobicContact CE1-CB 4.31Å; F605-I616 HydrophobicContact CE1-CB 4.18Å; F605-I616 HydrophobicContact CE1-CG2 3.81Å; F605-I616 HydrophobicContact CZ-CG2 4Å; F605-L621 HydrophobicContact CZ-CD1 4.43Å; F605-I696 HydrophobicContact CB-CG2 4.05Å; F605-V715 HydrophobicContact CD2-CG1 4.22Å; F605-V715 HydrophobicContact CE2-CG1 3.67Å; F605-V715 HydrophobicContact CZ-CG1 4.04Å; F605-Y718 AromaticContact CE2-CD1 3.73Å; F605-Y718 HydrophobicContact CE2-CD1 3.73Å; F605-Y718 HydrophobicContact CE2-CG 4.27Å; F605-Y718 AromaticContact CZ-CD1 3.9Å; F605-Y718 HydrophobicContact CZ-CD1 3.9Å; F605-Y718 HydrophobicContact CZ-CE1 4.48Å |
| 606 | N | 87.8 | Confident | 88.9 | Confident | 84 Ų | 84 | 30.5 Ų | 30.5 | 45% | 0.449 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 123.8 | -177.1 | -170.7 | 27.5 | 0 | 0 | 0 | 110.7 | I603 I696 | I603-N606 WeakPolarHBondContact O-CB 3.27Å; I603-N606 PolarHBondContact O-N 2.82Å; I603-N606 VanDerWaalsContact O-N 3.16Å; N606-I696 WeakPolarHBondContact CA-O 3.43Å |
| 607 | G | 84.9 | Confident | 89.1 | Confident | 48 Ų | 48 | 29.6 Ų | 29.6 | 50% | 0.495 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89 | -6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | F605 I696 | F605-G607 PolarHBondContact O-N 2.98Å; G607-I696 PolarHBondContact N-O 3.46Å |
| 608 | L | 87.5 | Confident | 89.3 | Confident | 39 Ų | 39 | 28.4 Ų | 28.4 | 20% | 0.204 | 16% | 0.16 | C | C | . | . | trans | -77.5 | 148.6 | 176.8 | -62.9 | -177.2 | 0 | 0 | 0 | 111.5 | F605 E612 I616 I696 | F605-L608 HydrophobicContact CB-CD1 4.4Å; F605-L608 HydrophobicContact CD1-CD1 3.99Å; F605-L608 WeakPolarHBondContact O-CB 3.34Å; F605-L608 PolarHBondContact O-N 2.87Å; F605-L608 VanDerWaalsContact O-N 3.14Å; L608-E612 HydrophobicContact CB-CB 4.5Å; L608-I616 HydrophobicContact CD1-CD1 3.59Å; L608-I696 PolarHBondContact O-N 3.46Å | ||
| 609 | Q | 88.2 | Confident | 89.2 | Confident | 63 Ų | 63 | 33.5 Ų | 33.5 | 29% | 0.294 | 18% | 0.18 | S | C | . | . | B | Isolated β-bridge | trans | -74.9 | 158 | 168.6 | -61.2 | -173.2 | -11.2 | 0 | 0 | 110.9 | T611 E612 A613 N693 | Q609-T611 VanDerWaalsContact C-N 3.3Å; Q609-T611 PolarHBondContact O-N 3.06Å; Q609-E612 HydrophobicContact CB-CG 4.22Å; Q609-E612 PolarHBondContact N-OE2 3.11Å; Q609-E612 PolarHBondContact O-N 2.68Å; Q609-A613 PolarHBondContact O-N 3Å; Q609-N693 PolarHBondContact NE2-OD1 3.43Å |
| 610 | F | 90.2 | Very high | 89.1 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.1 | -43.7 | 177.2 | 177.7 | -91.9 | 0 | 0 | 0 | 113.1 | A613 A614 L625 I626 V628 P688 | F610-A613 PolarHBondContact O-N 2.96Å; F610-A614 VanDerWaalsContact O-CB 3.3Å; F610-A614 WeakPolarHBondContact O-CB 3.33Å; F610-A614 PolarHBondContact O-N 3.12Å; F610-L625 HydrophobicContact CD2-CD2 3.99Å; F610-L625 HydrophobicContact CD2-CG 4.39Å; F610-L625 HydrophobicContact CE2-CD1 4.29Å; F610-L625 HydrophobicContact CE2-CD2 3.73Å; F610-L625 HydrophobicContact CE2-CG 3.64Å; F610-L625 HydrophobicContact CZ-CD2 4.29Å; F610-L625 HydrophobicContact CZ-CG 3.99Å; F610-I626 WeakPolarHBondContact CZ-O 3.47Å; F610-V628 HydrophobicContact CD2-CG1 3.89Å; F610-V628 HydrophobicContact CD2-CG2 4.14Å; F610-V628 HydrophobicContact CE2-CG1 4.07Å; F610-P688 HydrophobicContact CB-CG 3.57Å; F610-P688 HydrophobicContact CD1-CG 3.95Å; F610-P688 HydrophobicContact CD2-CG 3.95Å; F610-P688 HydrophobicContact CG-CG 3.54Å |
| 611 | T | 89.4 | Confident | 88.9 | Confident | 14 Ų | 14 | 34 Ų | 34 | 9% | 0.086 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.5 | -43.8 | -179.7 | 50.5 | 0 | 0 | 0 | 0 | 111.9 | Q609 A614 I615 L690 I1191 | Q609-T611 VanDerWaalsContact C-N 3.3Å; Q609-T611 PolarHBondContact O-N 3.06Å; T611-A614 PolarHBondContact O-N 2.9Å; T611-I615 VanDerWaalsContact O-CG1 3.31Å; T611-I615 WeakPolarHBondContact O-CG1 3.31Å; T611-I615 PolarHBondContact O-N 2.93Å; T611-L690 HydrophobicContact CG2-CD1 4.12Å; T611-L690 HydrophobicContact CG2-CG 4.36Å; T611-I1191 HydrophobicContact CG2-CG1 4.28Å |
| 612 | E | 90 | Very high | 88.8 | Confident | 88 Ų | 88 | 36.5 Ų | 36.5 | 41% | 0.411 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.2 | -45.8 | 176.9 | -61.5 | 176.6 | 145.8 | 0 | 0 | 111.4 | L608 Q609 A614 I615 I616 | L608-E612 HydrophobicContact CB-CB 4.5Å; Q609-E612 HydrophobicContact CB-CG 4.22Å; Q609-E612 PolarHBondContact N-OE2 3.11Å; Q609-E612 PolarHBondContact O-N 2.68Å; E612-A614 VanDerWaalsContact C-N 3.35Å; E612-A614 PolarHBondContact O-N 2.99Å; E612-I615 PolarHBondContact O-N 3.25Å; E612-I616 WeakPolarHBondContact O-CG1 3.43Å; E612-I616 PolarHBondContact O-N 2.98Å |
| 613 | A | 90.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -41.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F605 Q609 F610 I615 I616 C617 L625 I696 | F605-A613 HydrophobicContact CD1-CB 3.86Å; F605-A613 HydrophobicContact CE1-CB 4.31Å; Q609-A613 PolarHBondContact O-N 3Å; F610-A613 PolarHBondContact O-N 2.96Å; A613-I615 PolarHBondContact O-N 2.74Å; A613-I616 PolarHBondContact O-N 3.03Å; A613-C617 WeakPolarHBondContact O-CB 3.22Å; A613-C617 PolarHBondContact O-N 3.46Å; A613-C617 PolarHBondContact O-SG 2.8Å; A613-L625 HydrophobicContact CB-CD2 4.21Å; A613-I696 HydrophobicContact CB-CD1 3.28Å |
| 614 | A | 91.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.2 | -40.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F610 T611 E612 C617 R618 L625 I1191 | F610-A614 VanDerWaalsContact O-CB 3.3Å; F610-A614 WeakPolarHBondContact O-CB 3.33Å; F610-A614 PolarHBondContact O-N 3.12Å; T611-A614 PolarHBondContact O-N 2.9Å; E612-A614 VanDerWaalsContact C-N 3.35Å; E612-A614 PolarHBondContact O-N 2.99Å; A614-C617 PolarHBondContact O-N 3.41Å; A614-R618 WeakPolarHBondContact O-CB 3.27Å; A614-R618 PolarHBondContact O-N 3.3Å; A614-L625 HydrophobicContact CB-CB 4.24Å; A614-L625 HydrophobicContact CB-CD2 4.19Å; A614-I1191 HydrophobicContact CB-CD1 3.46Å; A614-I1191 VanDerWaalsContact CB-CD1 3.46Å |
| 615 | I | 91.2 | Very high | 89.5 | Confident | 37 Ų | 37 | 32.3 Ų | 32.3 | 19% | 0.19 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 174.9 | -67.2 | 164.8 | 0 | 0 | 0 | 110.9 | T611 E612 A613 R618 K619 I1191 Q1192 | T611-I615 VanDerWaalsContact O-CG1 3.31Å; T611-I615 WeakPolarHBondContact O-CG1 3.31Å; T611-I615 PolarHBondContact O-N 2.93Å; E612-I615 PolarHBondContact O-N 3.25Å; A613-I615 PolarHBondContact O-N 2.74Å; I615-R618 PolarHBondContact O-N 3.3Å; I615-K619 VanDerWaalsContact O-CB 3.26Å; I615-K619 WeakPolarHBondContact O-CB 3.4Å; I615-K619 PolarHBondContact O-N 3.44Å; I615-I1191 HydrophobicContact CD1-CG2 4.09Å; I615-I1191 HydrophobicContact CG1-CG2 3.69Å; I615-Q1192 HydrophobicContact CD1-CB 4.07Å; I615-Q1192 HydrophobicContact CD1-CG 4.38Å |
| 616 | I | 90 | Very high | 89.7 | Confident | 34 Ų | 34 | 32.5 Ų | 32.5 | 17% | 0.174 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.8 | -48.1 | 178.1 | -68.4 | 169.2 | 0 | 0 | 0 | 110.5 | F605 L608 E612 A613 R618 K619 Y620 Y718 | F605-I616 HydrophobicContact CE1-CB 4.18Å; F605-I616 HydrophobicContact CE1-CG2 3.81Å; F605-I616 HydrophobicContact CZ-CG2 4Å; L608-I616 HydrophobicContact CD1-CD1 3.59Å; E612-I616 WeakPolarHBondContact O-CG1 3.43Å; E612-I616 PolarHBondContact O-N 2.98Å; A613-I616 PolarHBondContact O-N 3.03Å; I616-R618 VanDerWaalsContact C-N 3.3Å; I616-R618 PolarHBondContact O-N 3.34Å; I616-K619 PolarHBondContact O-N 3.01Å; I616-Y620 HydrophobicContact CB-CD2 4.37Å; I616-Y620 HydrophobicContact CG2-CD2 3.99Å; I616-Y620 WeakPolarHBondContact O-CB 3.36Å; I616-Y620 WeakPolarHBondContact O-CD2 3.43Å; I616-Y620 PolarHBondContact O-N 2.97Å; I616-Y718 HydrophobicContact CG2-CE1 3.91Å |
| 617 | C | 91.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -58 | -43.6 | 177.1 | -71 | 0 | 0 | 0 | 0 | 111.4 | A613 A614 L621 D622 L623 | A613-C617 WeakPolarHBondContact O-CB 3.22Å; A613-C617 PolarHBondContact O-N 3.46Å; A613-C617 PolarHBondContact O-SG 2.8Å; A614-C617 PolarHBondContact O-N 3.41Å; C617-L621 CarbonylContact O-C 3.56Å; C617-L621 WeakPolarHBondContact O-CA 3.32Å; C617-L621 WeakPolarHBondContact O-CB 3.45Å; C617-L621 PolarHBondContact O-N 3.37Å; C617-L621 VanDerWaalsContact O-N 3.13Å; C617-D622 PolarHBondContact O-N 3.45Å; C617-L623 CarbonylContact C-O 3.52Å; C617-L623 VanDerWaalsContact C-O 3.28Å; C617-L623 HydrophobicContact CB-CB 4.32Å; C617-L623 PolarHBondContact O-N 3.22Å |
| 618 | R | 90.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | I | π-helix | trans | -68.8 | -48.1 | -180 | -173.9 | 69.3 | -170.6 | 174.4 | 4.9 | 112.7 | A614 I615 I616 D622 L623 F1187 N1325 P1326 N1328 | A614-R618 WeakPolarHBondContact O-CB 3.27Å; A614-R618 PolarHBondContact O-N 3.3Å; I615-R618 PolarHBondContact O-N 3.3Å; I616-R618 VanDerWaalsContact C-N 3.3Å; I616-R618 PolarHBondContact O-N 3.34Å; R618-D622 PolarHBondContact O-N 3.17Å; R618-L623 WeakPolarHBondContact CA-O 3.41Å; R618-L623 PolarHBondContact N-O 3.34Å; R618-F1187 HydrophobicContact CB-CD1 3.9Å; R618-F1187 HydrophobicContact CB-CE1 3.61Å; R618-F1187 HydrophobicContact CB-CZ 4.42Å; R618-F1187 HydrophobicContact CG-CD1 3.53Å; R618-F1187 HydrophobicContact CG-CE1 3.75Å; R618-F1187 HydrophobicContact CG-CG 4.18Å; R618-N1325 PolarHBondContact NH1-OD1 3.32Å; R618-P1326 PolarHBondContact NH2-O 2.99Å; R618-N1328 VanDerWaalsContact CZ-OD1 3.23Å; R618-N1328 PolarHBondContact NE-OD1 3.13Å; R618-N1328 PolarHBondContact NH2-OD1 3.44Å; R618-N1328 VanDerWaalsContact NH2-OD1 3.1Å; R618-N1328 PolarHBondContact O-ND2 3.44Å |
| 619 | K | 86.8 | Confident | 90.1 | Very high | 124 Ų | 124 | 25.2 Ų | 25.2 | 54% | 0.539 | 12% | 0.119 | S | C | . | . | I | π-helix | trans | -75.7 | -39.9 | -171.7 | -172.4 | 177.2 | -179.8 | -177.6 | 0 | 113.1 | I615 I616 | I615-K619 VanDerWaalsContact O-CB 3.26Å; I615-K619 WeakPolarHBondContact O-CB 3.4Å; I615-K619 PolarHBondContact O-N 3.44Å; I616-K619 PolarHBondContact O-N 3.01Å |
| 620 | Y | 86 | Confident | 89.8 | Confident | 76 Ų | 76 | 22.6 Ų | 22.6 | 30% | 0.298 | 11% | 0.108 | S | C | . | . | I | π-helix | trans | -106.5 | -23.3 | -171.6 | -59.4 | -73.3 | 0 | 0 | 0 | 114.1 | I616 | I616-Y620 HydrophobicContact CB-CD2 4.37Å; I616-Y620 HydrophobicContact CG2-CD2 3.99Å; I616-Y620 WeakPolarHBondContact O-CB 3.36Å; I616-Y620 WeakPolarHBondContact O-CD2 3.43Å; I616-Y620 PolarHBondContact O-N 2.97Å |
| 621 | L | 86.9 | Confident | 89.1 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -113.1 | -12.3 | -177 | -55.6 | 177.3 | 0 | 0 | 0 | 113.3 | F605 C617 L623 K714 V715 Y718 V732 | F605-L621 HydrophobicContact CZ-CD1 4.43Å; C617-L621 CarbonylContact O-C 3.56Å; C617-L621 WeakPolarHBondContact O-CA 3.32Å; C617-L621 WeakPolarHBondContact O-CB 3.45Å; C617-L621 PolarHBondContact O-N 3.37Å; C617-L621 VanDerWaalsContact O-N 3.13Å; L621-L623 HydrophobicContact CB-CB 4.38Å; L621-L623 HydrophobicContact CB-CD1 3.75Å; L621-L623 HydrophobicContact CB-CG 3.8Å; L621-L623 HydrophobicContact CD1-CD1 4.13Å; L621-L623 PolarHBondContact O-N 3.46Å; L621-K714 HydrophobicContact CD2-CB 4.2Å; L621-V715 HydrophobicContact CD1-CB 4.4Å; L621-V715 HydrophobicContact CD1-CG2 3.68Å; L621-Y718 HydrophobicContact CD2-CD2 3.8Å; L621-Y718 HydrophobicContact CD2-CE2 4.28Å; L621-Y718 HydrophobicContact CG-CD2 4.48Å; L621-V732 HydrophobicContact CD2-CG1 4.3Å; L621-V732 HydrophobicContact CD2-CG2 3.96Å |
| 622 | D | 88 | Confident | 88.1 | Confident | 58 Ų | 58 | 28.7 Ų | 28.7 | 31% | 0.31 | 14% | 0.138 | S | C | . | . | trans | 56.5 | 38 | -171.7 | -155.6 | 25.7 | 0 | 0 | 0 | 112.6 | C617 R618 T729 N1328 | C617-D622 PolarHBondContact O-N 3.45Å; R618-D622 PolarHBondContact O-N 3.17Å; D622-T729 HydrophobicContact CB-CG2 4.07Å; D622-N1328 PolarHBondContact OD1-ND2 3.47Å | ||
| 623 | L | 91.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | trans | -112.8 | 140.8 | 179 | -58.4 | 174.9 | 0 | 0 | 0 | 110.4 | C617 R618 L621 F704 C706 N711 V715 | C617-L623 CarbonylContact C-O 3.52Å; C617-L623 VanDerWaalsContact C-O 3.28Å; C617-L623 HydrophobicContact CB-CB 4.32Å; C617-L623 PolarHBondContact O-N 3.22Å; R618-L623 WeakPolarHBondContact CA-O 3.41Å; R618-L623 PolarHBondContact N-O 3.34Å; L621-L623 HydrophobicContact CB-CB 4.38Å; L621-L623 HydrophobicContact CB-CD1 3.75Å; L621-L623 HydrophobicContact CB-CG 3.8Å; L621-L623 HydrophobicContact CD1-CD1 4.13Å; L621-L623 PolarHBondContact O-N 3.46Å; L623-F704 HydrophobicContact CB-CD1 4.14Å; L623-F704 HydrophobicContact CD1-CD1 4.48Å; L623-C706 HydrophobicContact CD2-CB 3.48Å; L623-C706 VanDerWaalsContact CD2-CB 3.48Å; L623-N711 WeakPolarHBondContact CD1-O 3.47Å; L623-N711 HydrophobicContact CD2-CB 4.25Å; L623-V715 HydrophobicContact CD1-CG2 3.38Å | ||
| 624 | L | 93.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 104.6 | 175.6 | 173.2 | 60.4 | 0 | 0 | 0 | 110.4 | F704 I705 F1187 L1197 L1199 N1325 | L624-F704 CarbonylContact O-C 3.59Å; L624-F704 VanDerWaalsContact O-CA 3.23Å; L624-F704 WeakPolarHBondContact O-CA 3.41Å; L624-I705 HydrophobicContact CB-CB 4.19Å; L624-I705 HydrophobicContact CD2-CB 4.24Å; L624-I705 HydrophobicContact CD2-CD1 3.79Å; L624-I705 HydrophobicContact CD2-CG1 4.49Å; L624-I705 HydrophobicContact CG-CB 4.47Å; L624-I705 PolarHBondContact N-O 3.29Å; L624-I705 PolarHBondContact O-N 3.41Å; L624-F1187 HydrophobicContact CD1-CD2 4.26Å; L624-F1187 HydrophobicContact CD1-CE2 3.33Å; L624-F1187 HydrophobicContact CD1-CZ 3.77Å; L624-L1197 HydrophobicContact CD1-CD1 3.99Å; L624-L1197 HydrophobicContact CD1-CG 4.43Å; L624-L1199 HydrophobicContact CD2-CD2 4.34Å; L624-N1325 HydrophobicContact CD2-CB 4.24Å |
| 625 | L | 94.2 | Very high | 82 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 125.1 | 175.7 | 176.5 | 63.6 | 0 | 0 | 0 | 110.8 | F601 F610 A613 A614 A627 V628 F704 L1197 | F601-L625 HydrophobicContact CE2-CD1 4.48Å; F601-L625 HydrophobicContact CZ-CD1 3.82Å; F601-L625 HydrophobicContact CZ-CD2 3.85Å; F610-L625 HydrophobicContact CD2-CD2 3.99Å; F610-L625 HydrophobicContact CD2-CG 4.39Å; F610-L625 HydrophobicContact CE2-CD1 4.29Å; F610-L625 HydrophobicContact CE2-CD2 3.73Å; F610-L625 HydrophobicContact CE2-CG 3.64Å; F610-L625 HydrophobicContact CZ-CD2 4.29Å; F610-L625 HydrophobicContact CZ-CG 3.99Å; A613-L625 HydrophobicContact CB-CD2 4.21Å; A614-L625 HydrophobicContact CB-CB 4.24Å; A614-L625 HydrophobicContact CB-CD2 4.19Å; L625-A627 WeakPolarHBondContact CD1-O 3.37Å; L625-V628 HydrophobicContact CD1-CG1 4.15Å; L625-F704 HydrophobicContact CB-CD1 4.1Å; L625-F704 HydrophobicContact CB-CE1 3.99Å; L625-F704 HydrophobicContact CD1-CD1 4.08Å; L625-F704 HydrophobicContact CD1-CE1 3.62Å; L625-F704 HydrophobicContact CD1-CZ 3.9Å; L625-F704 HydrophobicContact CG-CE1 4.3Å; L625-L1197 WeakPolarHBondContact O-CD1 3.42Å |
| 626 | I | 92.1 | Very high | 79.5 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | -42.5 | -179.7 | -53.5 | 160.4 | 0 | 0 | 0 | 113.2 | F610 I686 S687 F703 I705 L1197 L1199 L1341 | F610-I626 WeakPolarHBondContact CZ-O 3.47Å; I626-I686 HydrophobicContact CG2-CG2 4.31Å; I626-S687 PolarHBondContact O-N 3.46Å; I626-F703 PolarHBondContact N-O 3.43Å; I626-I705 HydrophobicContact CD1-CD1 3.46Å; I626-I705 VanDerWaalsContact CD1-CD1 3.46Å; I626-I705 HydrophobicContact CD1-CG1 3.44Å; I626-I705 VanDerWaalsContact CD1-CG1 3.44Å; I626-I705 HydrophobicContact CG1-CD1 4.14Å; I626-I705 HydrophobicContact CG1-CG1 4.26Å; I626-L1197 HydrophobicContact CB-CD2 4.29Å; I626-L1197 HydrophobicContact CG1-CD2 4.41Å; I626-L1197 HydrophobicContact CG2-CD2 4.1Å; I626-L1199 HydrophobicContact CG1-CD2 4.33Å; I626-L1341 HydrophobicContact CG2-CD1 4.04Å |
| 627 | A | 90.7 | Very high | 76.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 161.2 | -171 | 0 | 0 | 0 | 0 | 0 | 111.3 | L625 L684 A685 I686 G702 F703 L1095 | L625-A627 WeakPolarHBondContact CD1-O 3.37Å; A627-L684 HydrophobicContact CB-CD1 4Å; A627-A685 CarbonylContact C-O 3.5Å; A627-A685 VanDerWaalsContact CA-O 3.23Å; A627-A685 WeakPolarHBondContact CA-O 3.24Å; A627-A685 WeakPolarHBondContact CB-O 2.99Å; A627-I686 HydrophobicContact CB-CB 4.45Å; A627-I686 HydrophobicContact CB-CG1 4.18Å; A627-G702 WeakPolarHBondContact O-CA 3.36Å; A627-F703 HydrophobicContact CB-CB 4.23Å; A627-F703 HydrophobicContact CB-CD2 3.77Å; A627-F703 HydrophobicContact CB-CG 4.33Å; A627-F703 PolarHBondContact O-N 2.96Å; A627-L1095 HydrophobicContact CB-CD1 4.13Å |
| 628 | V | 90.5 | Very high | 73.9 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 147.9 | 175.4 | -64.6 | 0 | 0 | 0 | 0 | 111.2 | F601 F610 L625 A630 A685 V694 T700 V701 | F601-V628 HydrophobicContact CE2-CG1 3.79Å; F601-V628 HydrophobicContact CZ-CG1 4.27Å; F610-V628 HydrophobicContact CD2-CG1 3.89Å; F610-V628 HydrophobicContact CD2-CG2 4.14Å; F610-V628 HydrophobicContact CE2-CG1 4.07Å; L625-V628 HydrophobicContact CD1-CG1 4.15Å; V628-A630 PolarHBondContact O-N 2.95Å; V628-A685 HydrophobicContact CG2-CB 4.08Å; V628-A685 PolarHBondContact N-O 3.08Å; V628-A685 PolarHBondContact O-N 3.22Å; V628-V694 HydrophobicContact CG2-CG1 3.8Å; V628-T700 HydrophobicContact CB-CG2 4.04Å; V628-T700 HydrophobicContact CG1-CG2 4.49Å; V628-V701 WeakPolarHBondContact CA-O 3.31Å |
| 629 | V | 86.9 | Confident | 71.2 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 104.7 | 171.4 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | Y682 T700 V701 F703 | V629-Y682 HydrophobicContact CG1-CD1 4.03Å; V629-Y682 HydrophobicContact CG1-CG 4.44Å; V629-T700 WeakPolarHBondContact O-CG2 3.4Å; V629-V701 HydrophobicContact CB-CB 4.41Å; V629-V701 HydrophobicContact CG2-CB 4.06Å; V629-V701 PolarHBondContact N-O 3.02Å; V629-F703 HydrophobicContact CG2-CE2 3.7Å; V629-F703 HydrophobicContact CG2-CZ 4.06Å |
| 630 | A | 81.8 | Confident | 68.5 | Low | 7 Ų | 7 | 60.5 Ų | 60.5 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 153 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | V628 Y682 Y683 A685 V694 | V628-A630 PolarHBondContact O-N 2.95Å; A630-Y682 CarbonylContact O-C 3.28Å; A630-Y682 WeakPolarHBondContact O-CA 3.25Å; A630-Y683 HydrophobicContact CB-CD1 4.17Å; A630-Y683 HydrophobicContact CB-CD2 4.49Å; A630-Y683 HydrophobicContact CB-CE1 3.61Å; A630-Y683 HydrophobicContact CB-CE2 3.97Å; A630-Y683 VanDerWaalsContact CB-CZ 3.49Å; A630-Y683 PolarHBondContact N-O 3.26Å; A630-Y683 PolarHBondContact O-N 3.23Å; A630-A685 HydrophobicContact CB-CB 4.4Å; A630-V694 HydrophobicContact CB-CG1 3.8Å |
| 631 | K | 77.2 | Confident | 65.9 | Low | 93 Ų | 93 | 62.8 Ų | 62.8 | 40% | 0.404 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 140.3 | 174.2 | -68.7 | 178.9 | -176.5 | -176 | 0 | 110 | H633 I680 Y682 | K631-H633 PolarHBondContact O-N 3.01Å; K631-I680 HydrophobicContact CB-CG2 4.43Å; K631-I680 HydrophobicContact CD-CG2 4.43Å; K631-I680 HydrophobicContact CG-CG2 4.3Å; K631-Y682 HydrophobicContact CD-CE1 3.95Å; K631-Y682 VanDerWaalsContact CE-CE1 3.4Å; K631-Y682 VanDerWaalsContact CE-OH 3.3Å; K631-Y682 WeakPolarHBondContact CE-OH 3.44Å; K631-Y682 HydrophobicContact CG-CD1 3.71Å; K631-Y682 HydrophobicContact CG-CE1 3.35Å |
| 632 | V | 67.1 | Low | 63.2 | Low | 56 Ų | 56 | 66 Ų | 66 | 34% | 0.339 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 118.8 | 170.2 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | K681 Y683 | V632-K681 HydrophobicContact CB-CB 4.42Å; V632-K681 HydrophobicContact CG2-CB 4.08Å; V632-K681 WeakPolarHBondContact CG2-O 3.44Å; V632-K681 PolarHBondContact N-O 3.44Å; V632-Y683 HydrophobicContact CG2-CD1 3.67Å; V632-Y683 HydrophobicContact CG2-CE1 4.15Å |
| 633 | H | 59.6 | Low | 60.5 | Low | 130 Ų | 130 | 67.9 Ų | 67.9 | 60% | 0.602 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -79 | 132.7 | 172.9 | -84.7 | -77.4 | 0 | 0 | 0 | 110.5 | K631 N635 T636 | K631-H633 PolarHBondContact O-N 3.01Å; H633-N635 PolarHBondContact O-N 3.43Å; H633-T636 PolarHBondContact O-N 2.87Å; H633-T636 PolarHBondContact O-OG1 3.09Å |
| 634 | K | 45.1 | Very low | 57.6 | Low | 123 Ų | 123 | 72.1 Ų | 72.1 | 54% | 0.535 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -54.8 | -15.5 | -175.8 | -73.8 | -173 | 172.1 | -173 | 0 | 115.4 | T636 E637 A677 N678 | K634-T636 PolarHBondContact O-N 3.18Å; K634-E637 PolarHBondContact O-N 3.38Å; K634-A677 PolarHBondContact NZ-O 3.12Å; K634-N678 PolarHBondContact NZ-OD1 3.39Å |
| 635 | N | 39.5 | Very low | 54.5 | Low | 140 Ų | 140 | 78.9 Ų | 78.9 | 75% | 0.749 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -71.4 | -7.7 | -178.8 | -74 | 5.4 | 0 | 0 | 0 | 114.9 | H633 S638 | H633-N635 PolarHBondContact O-N 3.43Å; N635-S638 PolarHBondContact O-OG 2.75Å |
| 636 | T | 39.9 | Very low | 51.3 | Low | 77 Ų | 77 | 85.9 Ų | 85.9 | 47% | 0.472 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -91.5 | -19.6 | 176.8 | -28.6 | 0 | 0 | 0 | 0 | 113 | H633 K634 S638 | H633-T636 PolarHBondContact O-N 2.87Å; H633-T636 PolarHBondContact O-OG1 3.09Å; K634-T636 PolarHBondContact O-N 3.18Å; T636-S638 VanDerWaalsContact C-N 3.32Å; T636-S638 PolarHBondContact O-N 3.47Å |
| 637 | E | 35.3 | Very low | 48.5 | Very low | 96 Ų | 96 | 94.6 Ų | 94.6 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -72.8 | -23.7 | -179.5 | -71.9 | -175.8 | 157.2 | 0 | 0 | 112.9 | K634 Y639 L640 N641 | K634-E637 PolarHBondContact O-N 3.38Å; E637-Y639 PolarHBondContact O-N 3.25Å; E637-L640 PolarHBondContact O-N 3.15Å; E637-N641 PolarHBondContact O-N 3.17Å |
| 638 | S | 28.4 | Very low | 45.5 | Very low | 69 Ų | 69 | 102.7 Ų | 102.7 | 48% | 0.483 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -67.2 | -17.3 | 178.2 | 52.3 | 0 | 0 | 0 | 0 | 114.3 | N635 T636 S642 | N635-S638 PolarHBondContact O-OG 2.75Å; T636-S638 VanDerWaalsContact C-N 3.32Å; T636-S638 PolarHBondContact O-N 3.47Å; S638-S642 VanDerWaalsContact O-CB 3.25Å; S638-S642 WeakPolarHBondContact O-CB 3.01Å; S638-S642 PolarHBondContact O-OG 3.39Å |
| 639 | Y | 33.2 | Very low | 42.8 | Very low | 180 Ų | 180 | 107.2 Ų | 107.2 | 71% | 0.706 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -90.4 | -17.5 | 176.5 | -73.3 | -78.8 | 0 | 0 | 0 | 113.8 | E637 | E637-Y639 PolarHBondContact O-N 3.25Š|
| 640 | L | 31.6 | Very low | 40.2 | Very low | 138 Ų | 138 | 114.1 Ų | 114.1 | 72% | 0.723 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -28.2 | 178 | -78.6 | 158.4 | 0 | 0 | 0 | 112.3 | E637 | E637-L640 PolarHBondContact O-N 3.15Š|
| 641 | N | 30.4 | Very low | 37.9 | Very low | 124 Ų | 124 | 121 Ų | 121 | 66% | 0.663 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -98.1 | -5.4 | 179.3 | -75.4 | -10.3 | 0 | 0 | 0 | 115.1 | E637 | E637-N641 PolarHBondContact O-N 3.17Š|
| 642 | S | 30.3 | Very low | 35.9 | Very low | 71 Ų | 71 | 122.9 Ų | 122.9 | 50% | 0.497 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90 | 1.9 | -179.9 | 66.3 | 0 | 0 | 0 | 0 | 114.8 | S638 | S638-S642 VanDerWaalsContact O-CB 3.25Å; S638-S642 WeakPolarHBondContact O-CB 3.01Å; S638-S642 PolarHBondContact O-OG 3.39Å |
| 643 | S | 31.2 | Very low | 34.4 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 4.2 | -176 | -53.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 644 | S | 30.6 | Very low | 33.1 | Very low | 90 Ų | 90 | 126.6 Ų | 126.6 | 63% | 0.629 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -117.8 | 5.2 | -175.6 | 37.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 645 | N | 27.8 | Very low | 32.8 | Very low | 142 Ų | 142 | 130.6 Ų | 130.6 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -130.9 | 20.7 | -175.2 | -92.4 | -11 | 0 | 0 | 0 | 116.1 | ||
| 646 | N | 28.2 | Very low | 32.7 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | trans | -129.7 | 74 | 176.1 | -87 | -20.7 | 0 | 0 | 0 | 112 | ||||
| 647 | H | 33 | Very low | 32.5 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 87% | 0.866 | 70% | 0.701 | S | S | * | * | trans | -162.8 | 71.2 | 150.4 | -96.6 | -48 | 0 | 0 | 0 | 109.3 | ||||
| 648 | N | 28.1 | Very low | 32.7 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 91% | 0.914 | 72% | 0.723 | S | S | * | * | trans | -120.1 | 95.2 | 161.5 | -91.2 | -9.7 | 0 | 0 | 0 | 107.9 | ||||
| 649 | S | 33.4 | Very low | 33.2 | Very low | 94 Ų | 94 | 141 Ų | 141 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | trans | -161.5 | 112.5 | 159.9 | 59.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 650 | H | 31.7 | Very low | 33.6 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | 59.9 | 108.2 | 153.2 | -71.5 | -66.2 | 0 | 0 | 0 | 118.2 | ||||
| 651 | D | 35.1 | Very low | 34.1 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | -175.8 | 135.9 | 95.2 | -91.5 | -25.1 | 0 | 0 | 0 | 111.2 | |||||
| 652 | D | 33.6 | Very low | 34.8 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -65.5 | 149.1 | -177 | -56.5 | -59.4 | 0 | 0 | 0 | 113.2 | ||||
| 653 | N | 35.7 | Very low | 35.2 | Very low | 138 Ų | 138 | 143 Ų | 143 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | 157.9 | 117.3 | 121.9 | -75.6 | -44.7 | 0 | 0 | 0 | 111.4 | |||||
| 654 | D | 33.8 | Very low | 35.7 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | trans | 53.3 | 113.7 | 132.7 | -51.2 | -19.9 | 0 | 0 | 0 | 119.3 | ||||
| 655 | Y | 37.2 | Very low | 36.3 | Very low | 208 Ų | 208 | 149.9 Ų | 149.9 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | -177.5 | 111.3 | 104.2 | -89 | -66.9 | 0 | 0 | 0 | 109.9 | |||||
| 656 | E | 38.9 | Very low | 36.9 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | 15.7 | 147.6 | 130.1 | -59.8 | 171.8 | 177.8 | 0 | 0 | 117.2 | ||||
| 657 | D | 35.6 | Very low | 37.6 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 67% | 0.674 | 79% | 0.794 | S | S | * | * | cis | -174.4 | 153.3 | -6.2 | -92.2 | -27 | 0 | 0 | 0 | 102.3 | ||||
| 658 | D | 39.9 | Very low | 37.9 | Very low | 169 Ų | 169 | 144.6 Ų | 144.6 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | trans | 166.6 | 87 | 142.9 | -82.8 | -20.5 | 0 | 0 | 0 | 108.5 | ||||
| 659 | D | 37.2 | Very low | 38.5 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -67.4 | 148.3 | 160.3 | -66.8 | -49.6 | 0 | 0 | 0 | 110.3 | ||||
| 660 | D | 42.4 | Very low | 38.9 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -161.5 | 122 | 137.6 | -94.7 | -28 | 0 | 0 | 0 | 110.3 | ||||
| 661 | D | 42.8 | Very low | 39.1 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -59.4 | 156.1 | 178.7 | -82.6 | -51.2 | 0 | 0 | 0 | 114.8 | ||||
| 662 | D | 44.3 | Very low | 39.3 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | 175.1 | 117.3 | 116.1 | -86.6 | -27.6 | 0 | 0 | 0 | 110.2 | |||||
| 663 | G | 38.5 | Very low | 39.3 | Very low | 78 Ų | 78 | 142.9 Ų | 142.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -82.8 | 169.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 664 | D | 41.7 | Very low | 39.3 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -157.9 | 126.1 | 140.2 | -150.8 | 6.5 | 0 | 0 | 0 | 109.3 | ||||
| 665 | D | 43 | Very low | 39.6 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | -77.6 | 151.3 | 178.7 | -70.1 | -50.9 | 0 | 0 | 0 | 110.8 | ||||
| 666 | G | 41.4 | Very low | 39.9 | Very low | 66 Ų | 66 | 144 Ų | 144 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | -178.2 | 75.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 667 | D | 42.4 | Very low | 39.9 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 62.6 | 94.8 | 141.3 | -54.1 | -21.6 | 0 | 0 | 0 | 119.9 | ||||
| 668 | D | 38.5 | Very low | 40.2 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | 17.9 | 123.7 | 124.2 | -60.4 | -29 | 0 | 0 | 0 | 119 | |||||
| 669 | D | 42.1 | Very low | 40.8 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | -175.4 | 125.8 | 122.6 | -86.4 | -24.2 | 0 | 0 | 0 | 111.2 | |||||
| 670 | D | 41.8 | Very low | 41.8 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | 88.1 | 95.9 | 146.7 | -54.9 | -23.7 | 0 | 0 | 0 | 122.5 | ||||
| 671 | D | 35.2 | Very low | 42.9 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | 49.3 | 103 | 123.5 | -80.2 | -20.7 | 0 | 0 | 0 | 120.6 | |||||
| 672 | D | 39 | Very low | 44.3 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 95% | 0.947 | 75% | 0.748 | S | S | * | * | trans | -146.2 | 85.7 | 144.9 | -90.8 | -34.5 | 0 | 0 | 0 | 109.2 | ||||
| 673 | G | 33.8 | Very low | 45.9 | Very low | 61 Ų | 61 | 130.1 Ų | 130.1 | 63% | 0.629 | 73% | 0.726 | S | S | * | * | trans | -84.7 | 132.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D675 | G673-D675 PolarHBondContact O-N 3.19Å; G673-D675 VanDerWaalsContact O-N 3.09Å | ||
| 674 | D | 34.9 | Very low | 48 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 91% | 0.914 | 70% | 0.701 | S | S | * | * | trans | 47 | 40.2 | 137.9 | -77.7 | -14.1 | 0 | 0 | 0 | 121.2 | ||||
| 675 | D | 40.1 | Very low | 50 | Low | 162 Ų | 162 | 121.2 Ų | 121.2 | 87% | 0.866 | 66% | 0.661 | S | S | * | * | trans | -96.5 | 4.9 | 175.3 | -98.8 | -16.1 | 0 | 0 | 0 | 116.4 | G673 A677 | G673-D675 PolarHBondContact O-N 3.19Å; G673-D675 VanDerWaalsContact O-N 3.09Å; D675-A677 VanDerWaalsContact C-N 3.35Å; D675-A677 PolarHBondContact O-N 3.37Å | ||
| 676 | D | 44.7 | Very low | 52 | Low | 160 Ų | 160 | 114.1 Ų | 114.1 | 86% | 0.856 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -80.3 | -0.8 | -172.1 | -92.7 | -28.1 | 0 | 0 | 0 | 116.3 | N678 | D676-N678 PolarHBondContact O-N 3.49Š|
| 677 | A | 39.2 | Very low | 54.1 | Low | 77 Ų | 77 | 111.3 Ų | 111.3 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -85.2 | 0.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | K634 D675 | K634-A677 PolarHBondContact NZ-O 3.12Å; D675-A677 VanDerWaalsContact C-N 3.35Å; D675-A677 PolarHBondContact O-N 3.37Å |
| 678 | N | 41.8 | Very low | 55.8 | Low | 126 Ų | 126 | 104.7 Ų | 104.7 | 67% | 0.674 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -133.9 | 15.8 | -172.9 | -91 | -22.8 | 0 | 0 | 0 | 117.7 | K634 D676 I680 | K634-N678 PolarHBondContact NZ-OD1 3.39Å; D676-N678 PolarHBondContact O-N 3.49Å; N678-I680 PolarHBondContact O-N 3.25Å |
| 679 | K | 51.7 | Low | 57.3 | Low | 148 Ų | 148 | 98.5 Ų | 98.5 | 64% | 0.643 | 53% | 0.526 | S | S | * | . | trans | -72.9 | 89.5 | 174.9 | -150.7 | 174 | -175.9 | -173.2 | 0 | 110.7 | E411 K681 | E411-K679 IonicContact OE1-NZ 2.82Å; E411-K679 IonicContact OE2-NZ 2.83Å; E411-K679 PolarHBondContact OE2-NZ 3.18Å; K679-K681 PolarHBondContact O-N 3.24Å; K679-K681 VanDerWaalsContact O-N 3.11Å | ||
| 680 | I | 58.7 | Low | 58.3 | Low | 91 Ų | 91 | 95 Ų | 95 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | trans | -59 | 113.7 | 174.4 | -61.4 | 172.1 | 0 | 0 | 0 | 108.6 | K631 N678 Y682 | K631-I680 HydrophobicContact CB-CG2 4.43Å; K631-I680 HydrophobicContact CD-CG2 4.43Å; K631-I680 HydrophobicContact CG-CG2 4.3Å; N678-I680 PolarHBondContact O-N 3.25Å; I680-Y682 HydrophobicContact CB-CE2 4.36Å; I680-Y682 HydrophobicContact CG2-CD2 4.5Å; I680-Y682 HydrophobicContact CG2-CE2 4Å; I680-Y682 WeakPolarHBondContact O-CD2 2.9Å; I680-Y682 WeakPolarHBondContact O-CE2 3.41Å | ||
| 681 | K | 64.9 | Low | 59.1 | Low | 137 Ų | 137 | 95.2 Ų | 95.2 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | trans | -81.1 | 136.4 | 175.7 | -68.3 | 176.2 | -177.2 | 166.3 | 0 | 110.3 | V632 K679 | V632-K681 HydrophobicContact CB-CB 4.42Å; V632-K681 HydrophobicContact CG2-CB 4.08Å; V632-K681 WeakPolarHBondContact CG2-O 3.44Å; V632-K681 PolarHBondContact N-O 3.44Å; K679-K681 PolarHBondContact O-N 3.24Å; K679-K681 VanDerWaalsContact O-N 3.11Å | ||
| 682 | Y | 72.4 | Confident | 60.4 | Low | 101 Ų | 101 | 91.9 Ų | 91.9 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 148.4 | 174.6 | -66.3 | -98.2 | 0 | 0 | 0 | 109.5 | V629 A630 K631 I680 I776 | V629-Y682 HydrophobicContact CG1-CD1 4.03Å; V629-Y682 HydrophobicContact CG1-CG 4.44Å; A630-Y682 CarbonylContact O-C 3.28Å; A630-Y682 WeakPolarHBondContact O-CA 3.25Å; K631-Y682 HydrophobicContact CD-CE1 3.95Å; K631-Y682 VanDerWaalsContact CE-CE1 3.4Å; K631-Y682 VanDerWaalsContact CE-OH 3.3Å; K631-Y682 WeakPolarHBondContact CE-OH 3.44Å; K631-Y682 HydrophobicContact CG-CD1 3.71Å; K631-Y682 HydrophobicContact CG-CE1 3.35Å; I680-Y682 HydrophobicContact CB-CE2 4.36Å; I680-Y682 HydrophobicContact CG2-CD2 4.5Å; I680-Y682 HydrophobicContact CG2-CE2 4Å; I680-Y682 WeakPolarHBondContact O-CD2 2.9Å; I680-Y682 WeakPolarHBondContact O-CE2 3.41Å; Y682-I776 HydrophobicContact CD1-CD1 4.32Å; Y682-I776 HydrophobicContact CD2-CD1 3.48Å; Y682-I776 VanDerWaalsContact CD2-CD1 3.48Å; Y682-I776 HydrophobicContact CE2-CD1 3.96Å; Y682-I776 HydrophobicContact CG-CD1 3.7Å |
| 683 | Y | 77.4 | Confident | 61.5 | Low | 107 Ų | 107 | 88.3 Ų | 88.3 | 42% | 0.42 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 153.6 | 173.8 | 70.5 | -83.4 | 0 | 0 | 0 | 111.3 | A630 V632 A685 | A630-Y683 HydrophobicContact CB-CD1 4.17Å; A630-Y683 HydrophobicContact CB-CD2 4.49Å; A630-Y683 HydrophobicContact CB-CE1 3.61Å; A630-Y683 HydrophobicContact CB-CE2 3.97Å; A630-Y683 VanDerWaalsContact CB-CZ 3.49Å; A630-Y683 PolarHBondContact N-O 3.26Å; A630-Y683 PolarHBondContact O-N 3.23Å; V632-Y683 HydrophobicContact CG2-CD1 3.67Å; V632-Y683 HydrophobicContact CG2-CE1 4.15Å; Y683-A685 HydrophobicContact CD2-CB 4.32Å; Y683-A685 HydrophobicContact CE2-CB 3.82Å |
| 684 | L | 82.6 | Confident | 63.6 | Low | 51 Ų | 51 | 86 Ų | 86 | 27% | 0.267 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 113 | 175.8 | -177.8 | 65.9 | 0 | 0 | 0 | 109.5 | A627 I686 F703 L1095 | A627-L684 HydrophobicContact CB-CD1 4Å; L684-I686 HydrophobicContact CD2-CD1 4.39Å; L684-I686 HydrophobicContact CD2-CG1 4.25Å; L684-I686 HydrophobicContact CG-CG1 4.14Å; L684-F703 HydrophobicContact CD1-CD2 3.83Å; L684-F703 HydrophobicContact CD1-CE2 3.36Å; L684-F703 HydrophobicContact CD1-CZ 4.14Å; L684-L1095 HydrophobicContact CD2-CB 3.98Å; L684-L1095 HydrophobicContact CD2-CD1 4.03Å |
| 685 | A | 83.9 | Confident | 65.9 | Low | 9 Ų | 9 | 81.8 Ų | 81.8 | 7% | 0.074 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 106.9 | 175 | 0 | 0 | 0 | 0 | 0 | 109.7 | A627 V628 A630 Y683 P688 V694 | A627-A685 CarbonylContact C-O 3.5Å; A627-A685 VanDerWaalsContact CA-O 3.23Å; A627-A685 WeakPolarHBondContact CA-O 3.24Å; A627-A685 WeakPolarHBondContact CB-O 2.99Å; V628-A685 HydrophobicContact CG2-CB 4.08Å; V628-A685 PolarHBondContact N-O 3.08Å; V628-A685 PolarHBondContact O-N 3.22Å; A630-A685 HydrophobicContact CB-CB 4.4Å; Y683-A685 HydrophobicContact CD2-CB 4.32Å; Y683-A685 HydrophobicContact CE2-CB 3.82Å; A685-P688 HydrophobicContact CB-CG 4.45Å; A685-V694 HydrophobicContact CB-CG1 4.5Å; A685-V694 HydrophobicContact CB-CG2 4.24Å |
| 686 | I | 85.4 | Confident | 68.1 | Low | 13 Ų | 13 | 74 Ų | 74 | 7% | 0.067 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 120.2 | 177.2 | -53.8 | 174.1 | 0 | 0 | 0 | 108.4 | I626 A627 L684 L1095 H1098 L1099 P1156 L1341 | I626-I686 HydrophobicContact CG2-CG2 4.31Å; A627-I686 HydrophobicContact CB-CB 4.45Å; A627-I686 HydrophobicContact CB-CG1 4.18Å; L684-I686 HydrophobicContact CD2-CD1 4.39Å; L684-I686 HydrophobicContact CD2-CG1 4.25Å; L684-I686 HydrophobicContact CG-CG1 4.14Å; I686-L1095 HydrophobicContact CD1-CD1 3.56Å; I686-L1095 HydrophobicContact CG1-CD1 3.67Å; I686-L1095 HydrophobicContact CG2-CD1 4.43Å; I686-H1098 HydrophobicContact CD1-CB 4.11Å; I686-H1098 VanDerWaalsContact CD1-CD2 3.43Å; I686-H1098 WeakPolarHBondContact CD1-CD2 3.47Å; I686-L1099 HydrophobicContact CD1-CD2 4.38Å; I686-L1099 HydrophobicContact CG2-CD2 4.23Å; I686-P1156 HydrophobicContact CB-CG 4.15Å; I686-P1156 HydrophobicContact CG2-CG 4Å; I686-P1156 WeakPolarHBondContact O-CG 3.48Å; I686-L1341 HydrophobicContact CG2-CD1 3.96Å |
| 687 | S | 84.8 | Confident | 70 | Confident | 6 Ų | 6 | 69.7 Ų | 69.7 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 37.6 | 59.2 | 179.6 | -169.2 | 0 | 0 | 0 | 0 | 113.6 | I626 | I626-S687 PolarHBondContact O-N 3.46Š|
| 688 | P | 79.3 | Confident | 71.9 | Confident | 15 Ų | 15 | 71.3 Ų | 71.3 | 10% | 0.097 | 35% | 0.345 | C | S | . | . | trans | -56.2 | 141.7 | -177.6 | 24.7 | -34.4 | 0 | 0 | 0 | 111.4 | F610 A685 V694 | F610-P688 HydrophobicContact CB-CG 3.57Å; F610-P688 HydrophobicContact CD1-CG 3.95Å; F610-P688 HydrophobicContact CD2-CG 3.95Å; F610-P688 HydrophobicContact CG-CG 3.54Å; A685-P688 HydrophobicContact CB-CG 4.45Å; P688-V694 HydrophobicContact CB-CB 4.22Å; P688-V694 HydrophobicContact CB-CG2 3.66Å; P688-V694 HydrophobicContact CG-CB 4.02Å; P688-V694 HydrophobicContact CG-CG2 3.96Å | ||
| 689 | T | 69.8 | Low | 73.7 | Confident | 17 Ų | 17 | 67 Ų | 67 | 10% | 0.104 | 33% | 0.33 | C | S | . | . | trans | -67.7 | 159.2 | -177.3 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | D691 K692 P1343 | T689-D691 PolarHBondContact O-N 3.41Å; T689-D691 VanDerWaalsContact O-N 3.14Å; T689-K692 CarbonylContact O-C 3.58Å; T689-K692 PolarHBondContact O-N 3.17Å; T689-K692 PolarHBondContact OG1-N 2.79Å; T689-P1343 HydrophobicContact CG2-CB 3.59Å | ||
| 690 | L | 63.1 | Low | 75.4 | Confident | 74 Ų | 74 | 60.7 Ų | 60.7 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -30.5 | 175 | -87.5 | 88.2 | 0 | 0 | 0 | 112.6 | T611 G1195 | T611-L690 HydrophobicContact CG2-CD1 4.12Å; T611-L690 HydrophobicContact CG2-CG 4.36Å; L690-G1195 VanDerWaalsContact CD1-CA 3.47Å |
| 691 | D | 59 | Low | 76.8 | Confident | 146 Ų | 146 | 56.8 Ų | 56.8 | 78% | 0.781 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -25.2 | -179.1 | -55.8 | -34.8 | 0 | 0 | 0 | 112.9 | T689 N693 | T689-D691 PolarHBondContact O-N 3.41Å; T689-D691 VanDerWaalsContact O-N 3.14Å; D691-N693 PolarHBondContact O-N 2.79Å |
| 692 | K | 61.9 | Low | 78.1 | Confident | 80 Ų | 80 | 50.3 Ų | 50.3 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -96.2 | 88.9 | 176.8 | -79.8 | -179.7 | 161.9 | 164 | 0 | 108.9 | T689 V694 E1151 | T689-K692 CarbonylContact O-C 3.58Å; T689-K692 PolarHBondContact O-N 3.17Å; T689-K692 PolarHBondContact OG1-N 2.79Å; K692-V694 PolarHBondContact O-N 3.08Å; K692-E1151 PolarHBondContact NZ-O 3.04Å; K692-E1151 VanDerWaalsContact NZ-O 3.12Å |
| 693 | N | 62 | Low | 79 | Confident | 103 Ų | 103 | 45.5 Ų | 45.5 | 55% | 0.551 | 24% | 0.237 | S | C | * | . | trans | -62.2 | 74.5 | 177.4 | -72.1 | -24.2 | 0 | 0 | 0 | 112.4 | Q609 D691 I695 | Q609-N693 PolarHBondContact NE2-OD1 3.43Å; D691-N693 PolarHBondContact O-N 2.79Å; N693-I695 PolarHBondContact O-N 3.15Å; N693-I695 VanDerWaalsContact O-N 3.17Å | ||
| 694 | V | 78.1 | Confident | 79.7 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | trans | -76 | 102.5 | 166 | -178.3 | 0 | 0 | 0 | 0 | 107.1 | V628 A630 A685 P688 K692 | V628-V694 HydrophobicContact CG2-CG1 3.8Å; A630-V694 HydrophobicContact CB-CG1 3.8Å; A685-V694 HydrophobicContact CB-CG1 4.5Å; A685-V694 HydrophobicContact CB-CG2 4.24Å; P688-V694 HydrophobicContact CB-CB 4.22Å; P688-V694 HydrophobicContact CB-CG2 3.66Å; P688-V694 HydrophobicContact CG-CB 4.02Å; P688-V694 HydrophobicContact CG-CG2 3.96Å; K692-V694 PolarHBondContact O-N 3.08Å | ||
| 695 | I | 84.1 | Confident | 80.2 | Confident | 81 Ų | 81 | 38 Ų | 38 | 42% | 0.415 | 21% | 0.205 | S | C | . | . | B | Isolated β-bridge | trans | -84 | 130.8 | 177.5 | -59.5 | 173.4 | 0 | 0 | 0 | 108.4 | N693 | N693-I695 PolarHBondContact O-N 3.15Å; N693-I695 VanDerWaalsContact O-N 3.17Å |
| 696 | I | 85.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -80.8 | 130 | 176.4 | -66.2 | 165.2 | 0 | 0 | 0 | 108.7 | F601 F605 N606 G607 L608 A613 T700 | F601-I696 HydrophobicContact CB-CG2 3.98Å; F601-I696 HydrophobicContact CD1-CG2 4.35Å; F601-I696 HydrophobicContact CD2-CG2 3.67Å; F601-I696 HydrophobicContact CE1-CD1 4.45Å; F601-I696 HydrophobicContact CE2-CD1 4.25Å; F601-I696 HydrophobicContact CE2-CG2 4.23Å; F601-I696 HydrophobicContact CG-CG2 3.75Å; F601-I696 HydrophobicContact CZ-CD1 4.11Å; F605-I696 HydrophobicContact CB-CG2 4.05Å; N606-I696 WeakPolarHBondContact CA-O 3.43Å; G607-I696 PolarHBondContact N-O 3.46Å; L608-I696 PolarHBondContact O-N 3.46Å; A613-I696 HydrophobicContact CB-CD1 3.28Å; I696-T700 HydrophobicContact CG2-CG2 4.38Å | ||
| 697 | H | 83.9 | Confident | 80.4 | Confident | 68 Ų | 68 | 39.4 Ų | 39.4 | 32% | 0.315 | 21% | 0.212 | S | C | . | . | trans | -109.9 | 164.9 | 175.1 | -65.7 | -61.8 | 0 | 0 | 0 | 110.6 | G699 T700 | H697-G699 PolarHBondContact O-N 3.23Å; H697-T700 PolarHBondContact N-OG1 2.94Å; H697-T700 VanDerWaalsContact O-CB 3.28Å; H697-T700 WeakPolarHBondContact O-CB 3.48Å; H697-T700 PolarHBondContact O-N 3.32Å; H697-T700 VanDerWaalsContact O-N 3.09Å; H697-T700 PolarHBondContact O-OG1 3.08Å; H697-T700 VanDerWaalsContact O-OG1 3.1Å | ||
| 698 | Q | 78.8 | Confident | 80.3 | Confident | 112 Ų | 112 | 40.6 Ų | 40.6 | 52% | 0.523 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 131 | 171.8 | -177.5 | -179.4 | -3.6 | 0 | 0 | 110.2 | I603 T700 | I603-Q698 HydrophobicContact CG1-CG 4.09Å; Q698-T700 VanDerWaalsContact C-N 3.28Å; Q698-T700 PolarHBondContact O-N 3.2Å |
| 699 | G | 79.7 | Confident | 80.5 | Confident | 35 Ų | 35 | 41 Ų | 41 | 36% | 0.361 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 3.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | H697 V701 | H697-G699 PolarHBondContact O-N 3.23Å; G699-V701 PolarHBondContact O-N 3.04Å |
| 700 | T | 88.2 | Confident | 81.1 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 9% | 0.092 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 134.2 | 165.2 | -67 | 0 | 0 | 0 | 0 | 108.8 | F601 V628 V629 I696 H697 Q698 | F601-T700 HydrophobicContact CD2-CG2 4.1Å; F601-T700 VanDerWaalsContact CD2-O 3.25Å; F601-T700 WeakPolarHBondContact CD2-O 3.46Å; F601-T700 HydrophobicContact CE2-CG2 4.41Å; F601-T700 PolarHBondContact N-O 3.38Å; V628-T700 HydrophobicContact CB-CG2 4.04Å; V628-T700 HydrophobicContact CG1-CG2 4.49Å; V629-T700 WeakPolarHBondContact O-CG2 3.4Å; I696-T700 HydrophobicContact CG2-CG2 4.38Å; H697-T700 PolarHBondContact N-OG1 2.94Å; H697-T700 VanDerWaalsContact O-CB 3.28Å; H697-T700 WeakPolarHBondContact O-CB 3.48Å; H697-T700 PolarHBondContact O-N 3.32Å; H697-T700 VanDerWaalsContact O-N 3.09Å; H697-T700 PolarHBondContact O-OG1 3.08Å; H697-T700 VanDerWaalsContact O-OG1 3.1Å; Q698-T700 VanDerWaalsContact C-N 3.28Å; Q698-T700 PolarHBondContact O-N 3.2Å |
| 701 | V | 88.9 | Confident | 82.3 | Confident | 10 Ų | 10 | 45.2 Ų | 45.2 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 126.5 | 174.5 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | E600 V628 V629 G699 F703 I777 | E600-V701 HydrophobicContact CG-CG2 4.22Å; V628-V701 WeakPolarHBondContact CA-O 3.31Å; V629-V701 HydrophobicContact CB-CB 4.41Å; V629-V701 HydrophobicContact CG2-CB 4.06Å; V629-V701 PolarHBondContact N-O 3.02Å; G699-V701 PolarHBondContact O-N 3.04Å; V701-F703 HydrophobicContact CG1-CZ 4.43Å; V701-I777 HydrophobicContact CG2-CD1 3.31Å; V701-I777 HydrophobicContact CG2-CG1 4.37Å |
| 702 | G | 90.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 149.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S598 A599 A627 F704 | S598-G702 WeakPolarHBondContact CA-O 3.29Å; A599-G702 PolarHBondContact N-O 3.48Å; A599-G702 PolarHBondContact O-N 3.5Å; A627-G702 WeakPolarHBondContact O-CA 3.36Å; G702-F704 VanDerWaalsContact C-CE2 3.47Å; G702-F704 WeakPolarHBondContact O-CD2 3.49Å; G702-F704 VanDerWaalsContact O-CE2 3.28Å; G702-F704 WeakPolarHBondContact O-CE2 3.35Å |
| 703 | F | 92.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.8 | 172.1 | -63.4 | -87.4 | 0 | 0 | 0 | 109.8 | I596 Y597 I626 A627 V629 L684 V701 N1091 L1095 | I596-F703 HydrophobicContact CG2-CD1 4.41Å; Y597-F703 CarbonylContact O-C 3.52Å; Y597-F703 WeakPolarHBondContact O-CA 3.48Å; I626-F703 PolarHBondContact N-O 3.43Å; A627-F703 HydrophobicContact CB-CB 4.23Å; A627-F703 HydrophobicContact CB-CD2 3.77Å; A627-F703 HydrophobicContact CB-CG 4.33Å; A627-F703 PolarHBondContact O-N 2.96Å; V629-F703 HydrophobicContact CG2-CE2 3.7Å; V629-F703 HydrophobicContact CG2-CZ 4.06Å; L684-F703 HydrophobicContact CD1-CD2 3.83Å; L684-F703 HydrophobicContact CD1-CE2 3.36Å; L684-F703 HydrophobicContact CD1-CZ 4.14Å; V701-F703 HydrophobicContact CG1-CZ 4.43Å; F703-N1091 HydrophobicContact CE1-CB 3.47Å; F703-N1091 VanDerWaalsContact CE1-CB 3.47Å; F703-N1091 HydrophobicContact CZ-CB 3.37Å; F703-L1095 HydrophobicContact CB-CD2 4.06Å; F703-L1095 HydrophobicContact CD1-CD2 4.23Å; F703-L1095 HydrophobicContact CG-CD2 4.09Å |
| 704 | F | 92.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 140.8 | -173.3 | -56 | -84.8 | 0 | 0 | 0 | 110.8 | I596 Y597 A599 F601 L623 L624 L625 G702 V715 | I596-F704 WeakPolarHBondContact CA-O 3.44Å; Y597-F704 PolarHBondContact N-O 3.13Å; Y597-F704 PolarHBondContact O-N 2.96Å; A599-F704 HydrophobicContact CB-CD2 4.2Å; A599-F704 HydrophobicContact CB-CE2 3.97Å; F601-F704 HydrophobicContact CE1-CE1 4.32Å; F601-F704 AromaticContact CE1-CZ 3.81Å; F601-F704 HydrophobicContact CE1-CZ 3.81Å; F601-F704 HydrophobicContact CE2-CZ 4.33Å; F601-F704 HydrophobicContact CZ-CE1 4.24Å; F601-F704 AromaticContact CZ-CZ 3.65Å; F601-F704 HydrophobicContact CZ-CZ 3.65Å; L623-F704 HydrophobicContact CB-CD1 4.14Å; L623-F704 HydrophobicContact CD1-CD1 4.48Å; L624-F704 CarbonylContact O-C 3.59Å; L624-F704 VanDerWaalsContact O-CA 3.23Å; L624-F704 WeakPolarHBondContact O-CA 3.41Å; L625-F704 HydrophobicContact CB-CD1 4.1Å; L625-F704 HydrophobicContact CB-CE1 3.99Å; L625-F704 HydrophobicContact CD1-CD1 4.08Å; L625-F704 HydrophobicContact CD1-CE1 3.62Å; L625-F704 HydrophobicContact CD1-CZ 3.9Å; L625-F704 HydrophobicContact CG-CE1 4.3Å; G702-F704 VanDerWaalsContact C-CE2 3.47Å; G702-F704 WeakPolarHBondContact O-CD2 3.49Å; G702-F704 VanDerWaalsContact O-CE2 3.28Å; G702-F704 WeakPolarHBondContact O-CE2 3.35Å; F704-V715 HydrophobicContact CD1-CG2 4.46Å; F704-V715 HydrophobicContact CE1-CG2 3.83Å; F704-V715 HydrophobicContact CE2-CG2 4.28Å; F704-V715 HydrophobicContact CZ-CB 4.25Å; F704-V715 HydrophobicContact CZ-CG1 3.99Å; F704-V715 HydrophobicContact CZ-CG2 3.74Å |
| 705 | I | 92.6 | Very high | 86.7 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 121.9 | 161.2 | -63.4 | 167.6 | 0 | 0 | 0 | 108.5 | L443 M594 E595 I596 L624 I626 N1325 | L443-I705 HydrophobicContact CD1-CD1 3.66Å; L443-I705 HydrophobicContact CD1-CG1 4.27Å; L443-I705 HydrophobicContact CD2-CB 4.4Å; L443-I705 HydrophobicContact CD2-CD1 3.81Å; L443-I705 HydrophobicContact CD2-CG1 3.9Å; L443-I705 HydrophobicContact CD2-CG2 3.56Å; L443-I705 HydrophobicContact CG-CD1 4.41Å; M594-I705 HydrophobicContact CB-CG2 3.7Å; M594-I705 HydrophobicContact CG-CG2 4.48Å; E595-I705 VanDerWaalsContact O-CA 3.32Å; E595-I705 WeakPolarHBondContact O-CA 3.27Å; I596-I705 HydrophobicContact CG1-CG1 4.21Å; L624-I705 HydrophobicContact CB-CB 4.19Å; L624-I705 HydrophobicContact CD2-CB 4.24Å; L624-I705 HydrophobicContact CD2-CD1 3.79Å; L624-I705 HydrophobicContact CD2-CG1 4.49Å; L624-I705 HydrophobicContact CG-CB 4.47Å; L624-I705 PolarHBondContact N-O 3.29Å; L624-I705 PolarHBondContact O-N 3.41Å; I626-I705 HydrophobicContact CD1-CD1 3.46Å; I626-I705 VanDerWaalsContact CD1-CD1 3.46Å; I626-I705 HydrophobicContact CD1-CG1 3.44Å; I626-I705 VanDerWaalsContact CD1-CG1 3.44Å; I626-I705 HydrophobicContact CG1-CD1 4.14Å; I626-I705 HydrophobicContact CG1-CG1 4.26Å; I705-N1325 HydrophobicContact CB-CB 4.4Å; I705-N1325 HydrophobicContact CG2-CB 3.61Å; I705-N1325 PolarHBondContact O-ND2 3.28Å |
| 706 | C | 89.6 | Confident | 86.9 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.02 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 179.3 | 171.8 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | E595 Y597 L623 S708 | E595-C706 PolarHBondContact N-O 3.22Å; E595-C706 PolarHBondContact O-N 3.18Å; E595-C706 VanDerWaalsContact O-N 3.09Å; Y597-C706 VanDerWaalsContact CD2-SG 3.56Å; L623-C706 HydrophobicContact CD2-CB 3.48Å; L623-C706 VanDerWaalsContact CD2-CB 3.48Å; C706-S708 PolarHBondContact SG-O 2.84Å |
| 707 | D | 84.8 | Confident | 86.8 | Confident | 48 Ų | 48 | 33.3 Ų | 33.3 | 26% | 0.257 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -79.9 | -16.9 | -177 | 63.1 | -14.7 | 0 | 0 | 0 | 114.6 | I449 M594 N711 | I449-D707 HydrophobicContact CD1-CB 4.26Å; M594-D707 HydrophobicContact CE-CB 3.95Å; D707-N711 VanDerWaalsContact CG-ND2 3.3Å; D707-N711 WeakPolarHBondContact OD1-CB 3.47Å; D707-N711 PolarHBondContact OD1-ND2 2.9Å; D707-N711 PolarHBondContact OD2-ND2 3.22Å |
| 708 | S | 82.6 | Confident | 86.9 | Confident | 31 Ų | 31 | 30.3 Ų | 30.3 | 22% | 0.217 | 16% | 0.158 | C | C | . | . | trans | -162.1 | 149.3 | -174.8 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | Y597 C706 E710 N711 A712 | Y597-S708 VanDerWaalsContact CE2-C 3.47Å; C706-S708 PolarHBondContact SG-O 2.84Å; S708-E710 PolarHBondContact O-N 3Å; S708-E710 VanDerWaalsContact O-N 3.17Å; S708-N711 PolarHBondContact O-N 3.23Å; S708-N711 PolarHBondContact OG-N 3.2Å; S708-A712 PolarHBondContact O-N 3.48Å; S708-A712 VanDerWaalsContact O-N 3.14Å | ||
| 709 | Q | 82.5 | Confident | 87.2 | Confident | 23 Ų | 23 | 25.7 Ų | 25.7 | 11% | 0.107 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.4 | -28.3 | 172.4 | -174.7 | 59 | 8.9 | 0 | 0 | 112.1 | Y597 S598 N713 E779 | Y597-Q709 VanDerWaalsContact CB-OE1 3.3Å; Y597-Q709 HydrophobicContact CD1-CB 3.78Å; Y597-Q709 HydrophobicContact CD1-CG 4.4Å; Y597-Q709 HydrophobicContact CE1-CB 3.69Å; S598-Q709 PolarHBondContact O-NE2 3.43Å; Q709-N713 WeakPolarHBondContact CG-ND2 3.34Å; Q709-N713 PolarHBondContact NE2-ND2 2.95Å; Q709-N713 WeakPolarHBondContact O-CB 3.19Å; Q709-N713 PolarHBondContact O-N 3.43Å; Q709-N713 PolarHBondContact O-ND2 2.83Å; Q709-E779 PolarHBondContact NE2-OE1 3.42Å |
| 710 | E | 83.5 | Confident | 87.3 | Confident | 139 Ų | 139 | 27.8 Ų | 27.8 | 65% | 0.65 | 14% | 0.139 | S | C | * | . | H | α-helix | trans | -64 | -42.3 | 173.9 | -73.7 | -176.9 | -171 | 0 | 0 | 112.4 | R302 S708 N713 | R302-E710 VanDerWaalsContact NH2-CA 3.29Å; S708-E710 PolarHBondContact O-N 3Å; S708-E710 VanDerWaalsContact O-N 3.17Å; E710-N713 PolarHBondContact O-N 3.21Å |
| 711 | N | 86.8 | Confident | 86.9 | Confident | 40 Ų | 40 | 33.7 Ų | 33.7 | 21% | 0.214 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.1 | -40.6 | 176.6 | -78.2 | -16.9 | 0 | 0 | 0 | 111.6 | L623 D707 S708 N713 K714 | L623-N711 WeakPolarHBondContact CD1-O 3.47Å; L623-N711 HydrophobicContact CD2-CB 4.25Å; D707-N711 VanDerWaalsContact CG-ND2 3.3Å; D707-N711 WeakPolarHBondContact OD1-CB 3.47Å; D707-N711 PolarHBondContact OD1-ND2 2.9Å; D707-N711 PolarHBondContact OD2-ND2 3.22Å; S708-N711 PolarHBondContact O-N 3.23Å; S708-N711 PolarHBondContact OG-N 3.2Å; N711-N713 VanDerWaalsContact C-N 3.32Å; N711-N713 PolarHBondContact O-N 3.29Å; N711-K714 VanDerWaalsContact O-CB 3.3Å; N711-K714 WeakPolarHBondContact O-CB 3.39Å; N711-K714 WeakPolarHBondContact O-CG 3.42Å; N711-K714 PolarHBondContact O-N 3.34Å; N711-K714 WeakPolarHBondContact OD1-CE 3.42Å; N711-K714 PolarHBondContact OD1-NZ 2.82Å |
| 712 | A | 87.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.6 | -43.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y597 A599 S708 K714 V715 | Y597-A712 HydrophobicContact CG-CB 4.43Å; A599-A712 HydrophobicContact CB-CB 4.3Å; S708-A712 PolarHBondContact O-N 3.48Å; S708-A712 VanDerWaalsContact O-N 3.14Å; A712-K714 PolarHBondContact O-N 3.4Å; A712-K714 VanDerWaalsContact O-N 3.09Å; A712-V715 WeakPolarHBondContact O-CG2 3.43Å; A712-V715 PolarHBondContact O-N 3.32Å |
| 713 | N | 88.7 | Confident | 86 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 6% | 0.064 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -11.2 | -179.7 | -81.6 | -57.3 | 0 | 0 | 0 | 114.6 | R302 Q709 E710 N711 V715 T716 Y717 | R302-N713 PolarHBondContact NH1-ND2 2.78Å; R302-N713 PolarHBondContact NH2-ND2 3.14Å; Q709-N713 WeakPolarHBondContact CG-ND2 3.34Å; Q709-N713 PolarHBondContact NE2-ND2 2.95Å; Q709-N713 WeakPolarHBondContact O-CB 3.19Å; Q709-N713 PolarHBondContact O-N 3.43Å; Q709-N713 PolarHBondContact O-ND2 2.83Å; E710-N713 PolarHBondContact O-N 3.21Å; N711-N713 VanDerWaalsContact C-N 3.32Å; N711-N713 PolarHBondContact O-N 3.29Å; N713-V715 PolarHBondContact O-N 3.14Å; N713-T716 WeakPolarHBondContact O-CB 3.33Å; N713-T716 PolarHBondContact O-N 2.78Å; N713-T716 VanDerWaalsContact O-N 3.11Å; N713-Y717 HydrophobicContact CB-CE2 4.13Å; N713-Y717 WeakPolarHBondContact O-CD2 3.24Å; N713-Y717 WeakPolarHBondContact O-CE2 3.37Å |
| 714 | K | 89 | Confident | 85.1 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 11% | 0.113 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.9 | -29.5 | 172.6 | -67.7 | 176.8 | -178.4 | 172.4 | 0 | 112 | L621 N711 A712 T716 Y717 Y718 T729 V732 | L621-K714 HydrophobicContact CD2-CB 4.2Å; N711-K714 VanDerWaalsContact O-CB 3.3Å; N711-K714 WeakPolarHBondContact O-CB 3.39Å; N711-K714 WeakPolarHBondContact O-CG 3.42Å; N711-K714 PolarHBondContact O-N 3.34Å; N711-K714 WeakPolarHBondContact OD1-CE 3.42Å; N711-K714 PolarHBondContact OD1-NZ 2.82Å; A712-K714 PolarHBondContact O-N 3.4Å; A712-K714 VanDerWaalsContact O-N 3.09Å; K714-T716 VanDerWaalsContact C-N 3.3Å; K714-T716 PolarHBondContact O-N 2.83Å; K714-Y717 PolarHBondContact O-N 3.17Å; K714-Y718 PolarHBondContact O-N 2.92Å; K714-T729 PolarHBondContact NZ-O 3.23Å; K714-V732 HydrophobicContact CB-CB 4.44Å; K714-V732 HydrophobicContact CB-CG1 4.14Å; K714-V732 HydrophobicContact CD-CB 4.34Å; K714-V732 HydrophobicContact CG-CB 4.34Å; K714-V732 HydrophobicContact CG-CG1 4.49Å |
| 715 | V | 89.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -38.6 | 177.4 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | F601 S602 F605 L621 L623 F704 A712 N713 Y717 Y718 | F601-V715 HydrophobicContact CD1-CG1 3.33Å; F601-V715 HydrophobicContact CE1-CG1 3.7Å; F601-V715 HydrophobicContact CG-CG1 4.16Å; S602-V715 VanDerWaalsContact CB-O 3.23Å; S602-V715 WeakPolarHBondContact CB-O 3.45Å; S602-V715 PolarHBondContact N-O 3.02Å; S602-V715 PolarHBondContact OG-O 3.31Å; F605-V715 HydrophobicContact CD2-CG1 4.22Å; F605-V715 HydrophobicContact CE2-CG1 3.67Å; F605-V715 HydrophobicContact CZ-CG1 4.04Å; L621-V715 HydrophobicContact CD1-CB 4.4Å; L621-V715 HydrophobicContact CD1-CG2 3.68Å; L623-V715 HydrophobicContact CD1-CG2 3.38Å; F704-V715 HydrophobicContact CD1-CG2 4.46Å; F704-V715 HydrophobicContact CE1-CG2 3.83Å; F704-V715 HydrophobicContact CE2-CG2 4.28Å; F704-V715 HydrophobicContact CZ-CB 4.25Å; F704-V715 HydrophobicContact CZ-CG1 3.99Å; F704-V715 HydrophobicContact CZ-CG2 3.74Å; A712-V715 WeakPolarHBondContact O-CG2 3.43Å; A712-V715 PolarHBondContact O-N 3.32Å; N713-V715 PolarHBondContact O-N 3.14Å; V715-Y717 VanDerWaalsContact C-N 3.31Å; V715-Y717 PolarHBondContact O-N 3.11Å; V715-Y718 PolarHBondContact O-N 2.93Å |
| 716 | T | 87.6 | Confident | 82.5 | Confident | 31 Ų | 31 | 49.4 Ų | 49.4 | 19% | 0.19 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.3 | -30.6 | 179.8 | -45.7 | 0 | 0 | 0 | 0 | 112.2 | E600 S602 N713 K714 Q738 | E600-T716 WeakPolarHBondContact O-CA 3.44Å; E600-T716 WeakPolarHBondContact O-CB 3.26Å; E600-T716 PolarHBondContact O-OG1 3.32Å; S602-T716 VanDerWaalsContact CB-O 3.24Å; S602-T716 WeakPolarHBondContact CB-O 3.43Å; N713-T716 WeakPolarHBondContact O-CB 3.33Å; N713-T716 PolarHBondContact O-N 2.78Å; N713-T716 VanDerWaalsContact O-N 3.11Å; K714-T716 VanDerWaalsContact C-N 3.3Å; K714-T716 PolarHBondContact O-N 2.83Å; T716-Q738 PolarHBondContact O-NE2 3.11Å |
| 717 | Y | 84.1 | Confident | 81.1 | Confident | 104 Ų | 104 | 55.3 Ų | 55.3 | 41% | 0.408 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -99 | -3.1 | 179.4 | -51.8 | -59 | 0 | 0 | 0 | 113.9 | N713 K714 V715 | N713-Y717 HydrophobicContact CB-CE2 4.13Å; N713-Y717 WeakPolarHBondContact O-CD2 3.24Å; N713-Y717 WeakPolarHBondContact O-CE2 3.37Å; K714-Y717 PolarHBondContact O-N 3.17Å; V715-Y717 VanDerWaalsContact C-N 3.31Å; V715-Y717 PolarHBondContact O-N 3.11Å |
| 718 | Y | 86 | Confident | 80 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 2% | 0.024 | 30% | 0.303 | C | S | . | . | trans | -63.5 | 140.8 | -177.1 | -173.9 | -109.7 | 0 | 0 | 0 | 111.6 | S602 A604 F605 I616 L621 K714 V715 I720 H723 | S602-Y718 PolarHBondContact OG-O 3.12Å; S602-Y718 VanDerWaalsContact OG-O 3.12Å; A604-Y718 HydrophobicContact CB-CD1 4.01Å; F605-Y718 AromaticContact CE2-CD1 3.73Å; F605-Y718 HydrophobicContact CE2-CD1 3.73Å; F605-Y718 HydrophobicContact CE2-CG 4.27Å; F605-Y718 AromaticContact CZ-CD1 3.9Å; F605-Y718 HydrophobicContact CZ-CD1 3.9Å; F605-Y718 HydrophobicContact CZ-CE1 4.48Å; I616-Y718 HydrophobicContact CG2-CE1 3.91Å; L621-Y718 HydrophobicContact CD2-CD2 3.8Å; L621-Y718 HydrophobicContact CD2-CE2 4.28Å; L621-Y718 HydrophobicContact CG-CD2 4.48Å; K714-Y718 PolarHBondContact O-N 2.92Å; V715-Y718 PolarHBondContact O-N 2.93Å; Y718-I720 HydrophobicContact CE1-CG1 4.08Å; Y718-H723 HydrophobicContact CD2-CB 3.93Å; Y718-H723 HydrophobicContact CE2-CB 3.69Å | ||
| 719 | C | 85.1 | Confident | 79.1 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 10% | 0.101 | 30% | 0.304 | C | S | . | . | trans | -145.7 | 120.7 | 179.8 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | N721 C722 H723 C735 | C719-N721 PolarHBondContact O-N 2.81Å; C719-C722 HydrophobicContact CB-CB 4.2Å; C719-C722 PolarHBondContact O-N 3.16Å; C719-C722 VanDerWaalsContact O-N 3.1Å; C719-H723 PolarHBondContact O-N 2.85Å; C719-C735 WeakPolarHBondContact CB-SG 3.44Å | ||
| 720 | I | 81.3 | Confident | 78.3 | Confident | 78 Ų | 78 | 59.5 Ų | 59.5 | 40% | 0.4 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.7 | -39.1 | -179 | -68.7 | 164.3 | 0 | 0 | 0 | 110.9 | A604 Y718 C722 T724 | A604-I720 HydrophobicContact CB-CD1 4.16Å; A604-I720 HydrophobicContact CB-CG1 4.09Å; Y718-I720 HydrophobicContact CE1-CG1 4.08Å; I720-C722 VanDerWaalsContact C-N 3.34Å; I720-C722 PolarHBondContact O-N 3.37Å; I720-T724 HydrophobicContact CB-CG2 4.35Å; I720-T724 HydrophobicContact CG2-CG2 3.82Å; I720-T724 WeakPolarHBondContact O-CB 3.32Å; I720-T724 WeakPolarHBondContact O-CG2 3.47Å; I720-T724 PolarHBondContact O-OG1 3.18Å |
| 721 | N | 80.9 | Confident | 77.4 | Confident | 139 Ų | 139 | 57.2 Ų | 57.2 | 74% | 0.743 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -72.7 | -25 | -177.3 | -63.3 | -12 | 0 | 0 | 0 | 113.7 | C719 | C719-N721 PolarHBondContact O-N 2.81Å |
| 722 | C | 79.3 | Confident | 76.7 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 32% | 0.324 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -100.5 | -35.4 | -175.5 | -64.7 | 0 | 0 | 0 | 0 | 113.1 | C719 I720 C735 | C719-C722 HydrophobicContact CB-CB 4.2Å; C719-C722 PolarHBondContact O-N 3.16Å; C719-C722 VanDerWaalsContact O-N 3.1Å; I720-C722 VanDerWaalsContact C-N 3.34Å; I720-C722 PolarHBondContact O-N 3.37Å; C722-C735 HydrophobicContact CB-CB 4.15Å; C722-C735 VanDerWaalsContact SG-CB 3.54Å |
| 723 | H | 80 | Confident | 76 | Confident | 19 Ų | 19 | 63.6 Ų | 63.6 | 9% | 0.088 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -115.2 | -3.7 | -161.9 | -61.7 | -46.7 | 0 | 0 | 0 | 114.7 | Y718 C719 N725 K733 | Y718-H723 HydrophobicContact CD2-CB 3.93Å; Y718-H723 HydrophobicContact CE2-CB 3.69Å; C719-H723 PolarHBondContact O-N 2.85Å; H723-N725 PolarHBondContact O-N 3.15Å; H723-K733 PolarHBondContact CE1-O 2.84Å; H723-K733 PolarHBondContact NE2-O 2.83Å |
| 724 | T | 72.8 | Confident | 75.2 | Confident | 50 Ų | 50 | 67.5 Ų | 67.5 | 31% | 0.307 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -33.3 | -179.5 | 38.5 | 0 | 0 | 0 | 0 | 114.4 | I720 | I720-T724 HydrophobicContact CB-CG2 4.35Å; I720-T724 HydrophobicContact CG2-CG2 3.82Å; I720-T724 WeakPolarHBondContact O-CB 3.32Å; I720-T724 WeakPolarHBondContact O-CG2 3.47Å; I720-T724 PolarHBondContact O-OG1 3.18Å |
| 725 | N | 68.9 | Low | 74.4 | Confident | 154 Ų | 154 | 67.3 Ų | 67.3 | 82% | 0.824 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -5.3 | -175.6 | -70.3 | -15.8 | 0 | 0 | 0 | 114 | H723 | H723-N725 PolarHBondContact O-N 3.15Š|
| 726 | N | 62 | Low | 73.3 | Confident | 72 Ų | 72 | 71.3 Ų | 71.3 | 39% | 0.385 | 41% | 0.407 | S | S | . | . | trans | -87.5 | 116 | -179.7 | -77.4 | -14.5 | 0 | 0 | 0 | 110 | S728 | N726-S728 VanDerWaalsContact C-N 3.27Å; N726-S728 PolarHBondContact O-N 3.46Å | ||
| 727 | S | 60 | Low | 72.4 | Confident | 127 Ų | 127 | 72 Ų | 72 | 89% | 0.888 | 41% | 0.412 | S | S | * | . | trans | -71.8 | -20.8 | 173.1 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 728 | S | 61.4 | Low | 71.1 | Confident | 44 Ų | 44 | 69.9 Ų | 69.9 | 31% | 0.308 | 41% | 0.407 | S | S | . | . | trans | -94.9 | 115.9 | -179.3 | 64.7 | 0 | 0 | 0 | 0 | 112.2 | N726 T730 N731 | N726-S728 VanDerWaalsContact C-N 3.27Å; N726-S728 PolarHBondContact O-N 3.46Å; S728-T730 PolarHBondContact O-N 3.22Å; S728-T730 VanDerWaalsContact O-N 3.17Å; S728-N731 PolarHBondContact O-N 3.23Å; S728-N731 PolarHBondContact OG-ND2 3.16Å; S728-N731 VanDerWaalsContact OG-ND2 3.09Å | ||
| 729 | T | 65.4 | Low | 69.5 | Low | 41 Ų | 41 | 75.9 Ų | 75.9 | 25% | 0.252 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -64 | -15.7 | 177.7 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | D622 K714 N731 | D622-T729 HydrophobicContact CB-CG2 4.07Å; K714-T729 PolarHBondContact NZ-O 3.23Å; T729-N731 VanDerWaalsContact C-N 3.3Å; T729-N731 PolarHBondContact O-N 3.03Å |
| 730 | T | 65.4 | Low | 67.4 | Low | 104 Ų | 104 | 82.9 Ų | 82.9 | 64% | 0.638 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -73.6 | -18 | -178 | 49 | 0 | 0 | 0 | 0 | 113.6 | S728 | S728-T730 PolarHBondContact O-N 3.22Å; S728-T730 VanDerWaalsContact O-N 3.17Å |
| 731 | N | 64.8 | Low | 65.7 | Low | 92 Ų | 92 | 82.8 Ų | 82.8 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -99.1 | 6.6 | -171.8 | -74.1 | -27.9 | 0 | 0 | 0 | 115.1 | S728 T729 K733 | S728-N731 PolarHBondContact O-N 3.23Å; S728-N731 PolarHBondContact OG-ND2 3.16Å; S728-N731 VanDerWaalsContact OG-ND2 3.09Å; T729-N731 VanDerWaalsContact C-N 3.3Å; T729-N731 PolarHBondContact O-N 3.03Å; N731-K733 PolarHBondContact O-N 2.95Å; N731-K733 VanDerWaalsContact O-N 3.07Å |
| 732 | V | 72.5 | Confident | 63.8 | Low | 18 Ų | 18 | 82.5 Ų | 82.5 | 11% | 0.109 | 46% | 0.464 | C | S | . | . | trans | -74.8 | 101 | 179 | -176.1 | 0 | 0 | 0 | 0 | 110 | L621 K714 | L621-V732 HydrophobicContact CD2-CG1 4.3Å; L621-V732 HydrophobicContact CD2-CG2 3.96Å; K714-V732 HydrophobicContact CB-CB 4.44Å; K714-V732 HydrophobicContact CB-CG1 4.14Å; K714-V732 HydrophobicContact CD-CB 4.34Å; K714-V732 HydrophobicContact CG-CB 4.34Å; K714-V732 HydrophobicContact CG-CG1 4.49Å | ||
| 733 | K | 72.1 | Confident | 61.7 | Low | 155 Ų | 155 | 88.3 Ų | 88.3 | 67% | 0.674 | 48% | 0.483 | S | S | * | . | trans | -118.8 | 164.9 | 174.1 | -64.3 | -172.5 | -179.3 | -178.2 | 0 | 111.3 | H723 N731 C735 | H723-K733 PolarHBondContact CE1-O 2.84Å; H723-K733 PolarHBondContact NE2-O 2.83Å; N731-K733 PolarHBondContact O-N 2.95Å; N731-K733 VanDerWaalsContact O-N 3.07Å; K733-C735 PolarHBondContact O-N 3.33Å | ||
| 734 | S | 70.6 | Confident | 59.6 | Low | 94 Ų | 94 | 91.7 Ų | 91.7 | 66% | 0.657 | 51% | 0.509 | S | S | * | . | trans | -56.4 | 128.4 | 173.8 | 53.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 735 | C | 72.7 | Confident | 57.8 | Low | 23 Ų | 23 | 93.8 Ų | 93.8 | 16% | 0.155 | 53% | 0.526 | C | S | . | . | trans | -105.8 | 152.6 | -179.4 | 65.9 | 0 | 0 | 0 | 0 | 110.9 | C719 C722 K733 C737 | C719-C735 WeakPolarHBondContact CB-SG 3.44Å; C722-C735 HydrophobicContact CB-CB 4.15Å; C722-C735 VanDerWaalsContact SG-CB 3.54Å; K733-C735 PolarHBondContact O-N 3.33Å; C735-C737 PolarHBondContact O-N 3.18Å | ||
| 736 | S | 66.9 | Low | 56 | Low | 84 Ų | 84 | 90.6 Ų | 90.6 | 59% | 0.587 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -7.2 | 177.7 | 56.6 | 0 | 0 | 0 | 0 | 113.9 | Q738 L739 | S736-Q738 VanDerWaalsContact C-N 3.32Å; S736-Q738 PolarHBondContact O-N 3.44Å; S736-L739 PolarHBondContact O-N 3.31Å |
| 737 | C | 67.1 | Low | 54.5 | Low | 44 Ų | 44 | 95.5 Ų | 95.5 | 30% | 0.297 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.8 | -35.7 | 178 | -66.1 | 0 | 0 | 0 | 0 | 112.7 | C735 L739 K740 | C735-C737 PolarHBondContact O-N 3.18Å; C737-L739 VanDerWaalsContact C-N 3.3Å; C737-L739 PolarHBondContact O-N 3.36Å; C737-K740 PolarHBondContact O-N 3.17Å |
| 738 | Q | 57.3 | Low | 53 | Low | 61 Ų | 61 | 97.4 Ų | 97.4 | 29% | 0.285 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.3 | -28.4 | 179.7 | -67.6 | -171.1 | -5 | 0 | 0 | 112.5 | T716 S736 K740 | T716-Q738 PolarHBondContact O-NE2 3.11Å; S736-Q738 VanDerWaalsContact C-N 3.32Å; S736-Q738 PolarHBondContact O-N 3.44Å; Q738-K740 VanDerWaalsContact C-N 3.35Å; Q738-K740 PolarHBondContact O-N 3.03Å |
| 739 | L | 52.5 | Low | 51.3 | Low | 132 Ų | 132 | 104.4 Ų | 104.4 | 69% | 0.691 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.7 | -25.6 | 176.7 | -74.5 | 163.7 | 0 | 0 | 0 | 113.3 | S736 C737 | S736-L739 PolarHBondContact O-N 3.31Å; C737-L739 VanDerWaalsContact C-N 3.3Å; C737-L739 PolarHBondContact O-N 3.36Å |
| 740 | K | 41.7 | Very low | 49.6 | Very low | 161 Ų | 161 | 108.5 Ų | 108.5 | 70% | 0.7 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -77.1 | -29 | 179.9 | -74.7 | -177.7 | 177.8 | 178.8 | 0 | 112.7 | C737 Q738 K743 | C737-K740 PolarHBondContact O-N 3.17Å; Q738-K740 VanDerWaalsContact C-N 3.35Å; Q738-K740 PolarHBondContact O-N 3.03Å; K740-K743 PolarHBondContact O-N 3.16Å |
| 741 | V | 45.8 | Very low | 48 | Very low | 76 Ų | 76 | 109.9 Ų | 109.9 | 46% | 0.461 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -72.1 | -34.5 | -179.4 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | K743 S744 S745 | V741-K743 VanDerWaalsContact C-N 3.28Å; V741-K743 PolarHBondContact O-N 3.3Å; V741-S744 PolarHBondContact O-N 3.39Å; V741-S744 PolarHBondContact O-OG 2.62Å; V741-S745 PolarHBondContact O-OG 3.08Å |
| 742 | H | 40.1 | Very low | 46.3 | Very low | 133 Ų | 133 | 114.7 Ų | 114.7 | 62% | 0.616 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.7 | -21.1 | 174.8 | -86.4 | -77.3 | 0 | 0 | 0 | 114.1 | ||
| 743 | K | 34.6 | Very low | 44.1 | Very low | 170 Ų | 170 | 119.1 Ų | 119.1 | 74% | 0.739 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -82.4 | -22.2 | 176 | -79.4 | -174.3 | 175.2 | -177.7 | 0 | 113.4 | K740 V741 S746 | K740-K743 PolarHBondContact O-N 3.16Å; V741-K743 VanDerWaalsContact C-N 3.28Å; V741-K743 PolarHBondContact O-N 3.3Å; K743-S746 PolarHBondContact O-OG 2.99Å |
| 744 | S | 36.7 | Very low | 42 | Very low | 90 Ų | 90 | 117.1 Ų | 117.1 | 63% | 0.629 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -83.6 | -15.4 | 179.7 | 41.6 | 0 | 0 | 0 | 0 | 114.8 | V741 | V741-S744 PolarHBondContact O-N 3.39Å; V741-S744 PolarHBondContact O-OG 2.62Å |
| 745 | S | 36.2 | Very low | 39.9 | Very low | 95 Ų | 95 | 122.5 Ų | 122.5 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 9.1 | -179.5 | 37.4 | 0 | 0 | 0 | 0 | 114.8 | V741 | V741-S745 PolarHBondContact O-OG 3.08Š|
| 746 | S | 29.8 | Very low | 38 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 60% | 0.601 | 69% | 0.691 | S | S | * | * | trans | -106.3 | 14.8 | -180 | 51 | 0 | 0 | 0 | 0 | 115.4 | K743 | K743-S746 PolarHBondContact O-OG 2.99Š| ||
| 747 | H | 30 | Very low | 36.4 | Very low | 175 Ų | 175 | 132 Ų | 132 | 81% | 0.81 | 70% | 0.704 | S | S | * | * | trans | -101.7 | 63.7 | 171.9 | -84.5 | -75.8 | 0 | 0 | 0 | 112.4 | ||||
| 748 | L | 29.8 | Very low | 34.6 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -132.4 | 120.2 | 154.1 | -122.9 | 90.8 | 0 | 0 | 0 | 108.3 | ||
| 749 | K | 24.9 | Very low | 33.2 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | trans | -59.1 | 137.8 | -175 | -69 | 170.9 | 173.9 | 176.7 | 0 | 111.7 | T751 | K749-T751 PolarHBondContact O-N 3.34Š| ||
| 750 | P | 29.9 | Very low | 32.1 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | trans | -82.4 | 110.7 | 157.1 | 29.4 | -21.1 | 0 | 0 | 0 | 108.2 | ||||
| 751 | T | 31.2 | Very low | 31.4 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | -78.7 | 133.9 | 170.3 | 39 | 0 | 0 | 0 | 0 | 110.9 | K749 | K749-T751 PolarHBondContact O-N 3.34Š| ||
| 752 | E | 30.4 | Very low | 30.6 | Very low | 193 Ų | 193 | 149.7 Ų | 149.7 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -62 | 130.4 | 176.1 | -62.7 | 169 | 126.8 | 0 | 0 | 113.4 | ||||
| 753 | C | 26.4 | Very low | 29.8 | Very low | 112 Ų | 112 | 151 Ų | 151 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | trans | -165.6 | 134 | 143.2 | 179.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 754 | C | 27.9 | Very low | 29.6 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | cis | -155.6 | 145.1 | -0.6 | -83.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 755 | K | 26.7 | Very low | 29.1 | Very low | 208 Ų | 208 | 156.7 Ų | 156.7 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -87.1 | 126.4 | 170.6 | -72.5 | 169.3 | 175.1 | 165.9 | 0 | 109.9 | ||||
| 756 | S | 31.9 | Very low | 28.6 | Very low | 108 Ų | 108 | 159.9 Ų | 159.9 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | trans | -178.3 | 106.5 | 145.3 | 52.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 757 | K | 33 | Very low | 28.4 | Very low | 198 Ų | 198 | 161.7 Ų | 161.7 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | 79.7 | 105.2 | 99.2 | -84.4 | -174.7 | 178.1 | 175.6 | 0 | 115.4 | |||||
| 758 | K | 29.2 | Very low | 28.1 | Very low | 182 Ų | 182 | 159.6 Ų | 159.6 | 79% | 0.791 | 84% | 0.835 | S | S | * | * | 66.6 | 128.4 | 125.7 | -84 | -170.9 | 175.2 | -172.3 | 0 | 121.2 | |||||
| 759 | D | 29.1 | Very low | 27.9 | Very low | 144 Ų | 144 | 160.2 Ų | 160.2 | 77% | 0.77 | 83% | 0.831 | S | S | * | * | trans | 89.7 | 94.4 | 144.2 | -53.5 | -22.5 | 0 | 0 | 0 | 118.5 | ||||
| 760 | S | 29.8 | Very low | 27.8 | Very low | 126 Ų | 126 | 158.8 Ų | 158.8 | 88% | 0.881 | 83% | 0.832 | S | S | * | * | -168.3 | 133.8 | 123.5 | 57.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 761 | K | 25.5 | Very low | 27.6 | Very low | 202 Ų | 202 | 160.1 Ų | 160.1 | 88% | 0.878 | 83% | 0.83 | S | S | * | * | trans | -83 | 127.1 | 176.2 | -72.4 | 171.9 | 172.7 | 177.1 | 0 | 108.7 | ||||
| 762 | H | 29.4 | Very low | 27.3 | Very low | 191 Ų | 191 | 163.5 Ų | 163.5 | 88% | 0.884 | 83% | 0.834 | S | S | * | * | trans | -142.8 | 123.8 | 147.6 | -115.6 | -66.4 | 0 | 0 | 0 | 109.5 | Q764 | H762-Q764 PolarHBondContact O-N 3.03Š| ||
| 763 | N | 24 | Very low | 27 | Very low | 160 Ų | 160 | 159.9 Ų | 159.9 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | -69.9 | 118.1 | 175.5 | -76 | -26.5 | 0 | 0 | 0 | 109.5 | ||||
| 764 | Q | 29.8 | Very low | 26.8 | Very low | 187 Ų | 187 | 159.9 Ų | 159.9 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | trans | -139.1 | 131.7 | 153 | -87.2 | 177.3 | -5 | 0 | 0 | 108.4 | H762 L766 | H762-Q764 PolarHBondContact O-N 3.03Å; Q764-L766 PolarHBondContact O-N 2.96Å | ||
| 765 | Q | 26.4 | Very low | 26.6 | Very low | 194 Ų | 194 | 160.8 Ų | 160.8 | 91% | 0.907 | 82% | 0.822 | S | S | * | * | trans | -65.1 | 110.3 | 178.7 | -75.2 | 165.3 | -25.1 | 0 | 0 | 108.8 | T767 | Q765-T767 PolarHBondContact O-N 3.32Š| ||
| 766 | L | 24.8 | Very low | 26.7 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -76 | 102.1 | 175.3 | -150.1 | 96.2 | 0 | 0 | 0 | 108.8 | Q764 T768 | Q764-L766 PolarHBondContact O-N 2.96Å; L766-T768 PolarHBondContact O-N 3.44Å | ||
| 767 | T | 26.4 | Very low | 26.5 | Very low | 123 Ų | 123 | 152.2 Ų | 152.2 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -68.8 | 108.1 | 168.2 | 41.9 | 0 | 0 | 0 | 0 | 109 | Q765 K769 | Q765-T767 PolarHBondContact O-N 3.32Å; T767-K769 VanDerWaalsContact C-N 3.31Å; T767-K769 PolarHBondContact O-N 3.26Å | ||
| 768 | T | 23.7 | Very low | 26.1 | Very low | 132 Ų | 132 | 148.7 Ų | 148.7 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -68.9 | 87.2 | 169.8 | 50.3 | 0 | 0 | 0 | 0 | 109.8 | L766 | L766-T768 PolarHBondContact O-N 3.44Š| ||
| 769 | K | 24.6 | Very low | 26 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | -145.1 | 84.3 | 165.6 | -83.7 | -174.6 | 176.9 | 175.1 | 0 | 107.2 | T767 | T767-K769 VanDerWaalsContact C-N 3.31Å; T767-K769 PolarHBondContact O-N 3.26Å | ||
| 770 | D | 24.6 | Very low | 25.9 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | trans | -168 | 156.2 | 153.7 | -86.6 | -35.3 | 0 | 0 | 0 | 108.9 | ||||
| 771 | I | 25.2 | Very low | 25.6 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 80% | 0.795 | 75% | 0.747 | S | S | * | * | trans | 89.7 | 65.5 | -172.6 | -40.9 | 160.7 | 0 | 0 | 0 | 114.2 | ||||
| 772 | K | 24.4 | Very low | 25.7 | Very low | 203 Ų | 203 | 145.9 Ų | 145.9 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | -135.4 | 69.1 | 142.7 | -89.8 | -172 | 179.3 | 178.6 | 0 | 109.1 | C774 | K772-C774 PolarHBondContact O-N 3.42Å; K772-C774 VanDerWaalsContact O-N 3.15Å | ||
| 773 | T | 23.6 | Very low | 25.4 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | trans | -59.1 | 111.1 | 158.5 | 0.3 | 0 | 0 | 0 | 0 | 107.2 | L775 | T773-L775 PolarHBondContact O-N 2.87Š| ||
| 774 | C | 23.6 | Very low | 25.4 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 75% | 0.75 | 75% | 0.745 | S | S | * | * | trans | -64 | 84.9 | 174.5 | -89.1 | 0 | 0 | 0 | 0 | 109.6 | K772 I776 | K772-C774 PolarHBondContact O-N 3.42Å; K772-C774 VanDerWaalsContact O-N 3.15Å; C774-I776 PolarHBondContact O-N 3.05Å | ||
| 775 | L | 23.7 | Very low | 25.2 | Very low | 132 Ų | 132 | 144.2 Ų | 144.2 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | trans | -59.5 | 123.4 | 162.4 | -83.9 | 151.6 | 0 | 0 | 0 | 108.4 | T773 I777 | T773-L775 PolarHBondContact O-N 2.87Å; L775-I777 VanDerWaalsContact C-N 3.34Å; L775-I777 WeakPolarHBondContact CB-O 3.32Å; L775-I777 PolarHBondContact O-N 3.5Å | ||
| 776 | I | 28.2 | Very low | 25 | Very low | 82 Ų | 82 | 144.5 Ų | 144.5 | 42% | 0.421 | 75% | 0.746 | S | S | . | * | S | Bend | trans | -42.9 | 106.7 | 143.3 | -61.1 | 168.9 | 0 | 0 | 0 | 105.5 | Y682 C774 | Y682-I776 HydrophobicContact CD1-CD1 4.32Å; Y682-I776 HydrophobicContact CD2-CD1 3.48Å; Y682-I776 VanDerWaalsContact CD2-CD1 3.48Å; Y682-I776 HydrophobicContact CE2-CD1 3.96Å; Y682-I776 HydrophobicContact CG-CD1 3.7Å; C774-I776 PolarHBondContact O-N 3.05Å |
| 777 | I | 26.6 | Very low | 25 | Very low | 53 Ų | 53 | 143.1 Ų | 143.1 | 27% | 0.272 | 75% | 0.745 | S | S | . | * | trans | 80.6 | 119 | -178.4 | -45.5 | 158.6 | 0 | 0 | 0 | 113.8 | E600 V701 L775 E779 | E600-I777 HydrophobicContact CG-CD1 4.21Å; E600-I777 VanDerWaalsContact OE1-CD1 3.23Å; E600-I777 WeakPolarHBondContact OE1-CD1 3.2Å; V701-I777 HydrophobicContact CG2-CD1 3.31Å; V701-I777 HydrophobicContact CG2-CG1 4.37Å; L775-I777 VanDerWaalsContact C-N 3.34Å; L775-I777 WeakPolarHBondContact CB-O 3.32Å; L775-I777 PolarHBondContact O-N 3.5Å; I777-E779 HydrophobicContact CG2-CB 4.08Å | ||
| 778 | P | 25 | Very low | 25 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | -126.6 | 99.5 | 107.7 | 13.6 | 5.6 | 0 | 0 | 0 | 111.4 | |||||
| 779 | E | 27.8 | Very low | 25 | Very low | 88 Ų | 88 | 143.6 Ų | 143.6 | 41% | 0.411 | 75% | 0.746 | S | S | . | * | trans | -70 | 139.2 | 147.1 | -91.4 | -174.1 | 129.1 | 0 | 0 | 109.1 | Q709 I777 | Q709-E779 PolarHBondContact NE2-OE1 3.42Å; I777-E779 HydrophobicContact CG2-CB 4.08Å | ||
| 780 | L | 25.8 | Very low | 25.3 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 60% | 0.597 | 74% | 0.742 | S | S | * | * | trans | 55.8 | 98.5 | 140.5 | -60.2 | 166.4 | 0 | 0 | 0 | 118.7 | ||||
| 781 | K | 25 | Very low | 25.4 | Very low | 202 Ų | 202 | 137.7 Ų | 137.7 | 88% | 0.878 | 74% | 0.737 | S | S | * | * | trans | 180 | 121.8 | 142.4 | -94.5 | 154.3 | -171.1 | 178.4 | 0 | 104.7 | ||||
| 782 | E | 27 | Very low | 25.6 | Very low | 191 Ų | 191 | 135.2 Ų | 135.2 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | -170.9 | 132.1 | 73 | -78.3 | 175.2 | 160.5 | 0 | 0 | 109.7 | |||||
| 783 | E | 22.8 | Very low | 25.6 | Very low | 190 Ų | 190 | 129.6 Ų | 129.6 | 89% | 0.888 | 73% | 0.725 | S | S | * | * | trans | -121 | 143.7 | 151.6 | -93 | -168.6 | 160.2 | 0 | 0 | 107.9 | ||||
| 784 | S | 23.8 | Very low | 25.9 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | 85.9 | 100.3 | 168.8 | 73.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 785 | E | 26.4 | Very low | 26.2 | Very low | 199 Ų | 199 | 132 Ų | 132 | 93% | 0.93 | 72% | 0.721 | S | S | * | * | -170.7 | 139 | 108.6 | -100.5 | 176.9 | 177.1 | 0 | 0 | 112.1 | |||||
| 786 | K | 22.3 | Very low | 26.4 | Very low | 199 Ų | 199 | 132.7 Ų | 132.7 | 87% | 0.865 | 72% | 0.72 | S | S | * | * | trans | -93.7 | 132.6 | 177.4 | -70.7 | 169.3 | 174.1 | 172.2 | 0 | 109 | ||||
| 787 | T | 24.4 | Very low | 26.3 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | -173.7 | 118.9 | 140.2 | 35.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 788 | S | 26.5 | Very low | 26.5 | Very low | 108 Ų | 108 | 138.7 Ų | 138.7 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | 49 | 106.9 | 141.2 | 58.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 789 | N | 24.1 | Very low | 26.7 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | 15.3 | 163.8 | 112.5 | -84.5 | 3.4 | 0 | 0 | 0 | 120.5 | |||||
| 790 | P | 30.5 | Very low | 26.8 | Very low | 106 Ų | 106 | 144 Ų | 144 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | cis | -144.8 | -162.6 | -17.4 | 35.4 | -12.5 | 0 | 0 | 0 | 114 | ||||
| 791 | S | 27.6 | Very low | 26.8 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 94.7 | 140.6 | 160.6 | 76.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 792 | S | 28 | Very low | 27 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | cis | -180 | 129.1 | -3.2 | 40.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 793 | A | 25.8 | Very low | 26.8 | Very low | 85 Ų | 85 | 138.7 Ų | 138.7 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | 88.2 | 148.1 | 110.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 794 | L | 28.3 | Very low | 27.1 | Very low | 149 Ų | 149 | 137 Ų | 137 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | 84 | 134.9 | 166.8 | -59.5 | 113.5 | 0 | 0 | 0 | 118.6 | ||||
| 795 | H | 30.4 | Very low | 27.2 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 61% | 0.611 | 77% | 0.768 | S | S | * | * | cis | -169.5 | 144.6 | -5.2 | -122 | -122.4 | 0 | 0 | 0 | 105.8 | ||||
| 796 | Q | 28.2 | Very low | 27.1 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | 48.6 | 142.1 | 122.5 | -67.6 | 179.2 | -15.2 | 0 | 0 | 117.6 | |||||
| 797 | N | 25.7 | Very low | 27.4 | Very low | 122 Ų | 122 | 135 Ų | 135 | 65% | 0.652 | 77% | 0.765 | S | S | * | * | cis | -175.8 | -178.8 | 4.3 | -95 | -15.1 | 0 | 0 | 0 | 106.3 | ||||
| 798 | D | 31.9 | Very low | 27.3 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | trans | 93.8 | 96.2 | 158.5 | -48 | -28.2 | 0 | 0 | 0 | 115.2 | ||||
| 799 | D | 27.5 | Very low | 27.2 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | 63.4 | 107.3 | 74.1 | -71 | -24.8 | 0 | 0 | 0 | 113.3 | |||||
| 800 | D | 31.5 | Very low | 27.1 | Very low | 175 Ų | 175 | 134.7 Ų | 134.7 | 94% | 0.936 | 76% | 0.758 | S | S | * | * | -170.5 | 142.2 | 129.2 | -94.8 | -26.8 | 0 | 0 | 0 | 114.3 | |||||
| 801 | M | 25.4 | Very low | 26.8 | Very low | 168 Ų | 168 | 138 Ų | 138 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | trans | -104.9 | 151.4 | -170.1 | -87.6 | -100.2 | -104.6 | 0 | 0 | 112.6 | ||||
| 802 | A | 28 | Very low | 26.7 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | trans | 160.8 | 114.1 | 143 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 803 | I | 23.5 | Very low | 26.6 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | 55.2 | 133.8 | 61.8 | -40.8 | -176.8 | 0 | 0 | 0 | 114.6 | |||||
| 804 | I | 28.3 | Very low | 26.7 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | 100.6 | 123.2 | 162.6 | -50.9 | 172.6 | 0 | 0 | 0 | 111.7 | ||||
| 805 | S | 27.3 | Very low | 26.6 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | cis | -167.9 | 151.9 | 21.7 | 35.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 806 | D | 23.7 | Very low | 26.2 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -52.9 | 143.7 | 154.2 | -90 | -40.8 | 0 | 0 | 0 | 113.6 | ||||
| 807 | K | 28.3 | Very low | 26.1 | Very low | 209 Ų | 209 | 142.6 Ų | 142.6 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | 172.4 | 135.2 | 126.4 | -95.5 | 169.8 | -173.8 | -178.6 | 0 | 111.3 | |||||
| 808 | G | 23.8 | Very low | 26.2 | Very low | 72 Ų | 72 | 143.2 Ų | 143.2 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -85.7 | -169.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 809 | F | 22.4 | Very low | 25.9 | Very low | 194 Ų | 194 | 143.6 Ų | 143.6 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | 83 | 121.4 | 167.5 | -84.3 | -95.3 | 0 | 0 | 0 | 119.4 | ||||
| 810 | N | 23.7 | Very low | 25.8 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 67% | 0.674 | 79% | 0.788 | S | S | * | * | trans | 86.6 | 108.6 | 143.7 | -68.5 | -9.3 | 0 | 0 | 0 | 121.3 | ||||
| 811 | E | 23.5 | Very low | 25.7 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | 40 | 115.9 | 124.7 | -67 | -179.4 | 149.7 | 0 | 0 | 118.3 | |||||
| 812 | S | 25.9 | Very low | 25.7 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | 167.4 | 117 | 98.5 | 44.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 813 | N | 25.1 | Very low | 25.5 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | 38 | 121.6 | 134.7 | -67.6 | -25.7 | 0 | 0 | 0 | 123.1 | ||||
| 814 | S | 27.8 | Very low | 25.5 | Very low | 118 Ų | 118 | 142 Ų | 142 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | -166.5 | 98.6 | 126.5 | 53.9 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 815 | K | 25.9 | Very low | 25.4 | Very low | 161 Ų | 161 | 142 Ų | 142 | 70% | 0.7 | 78% | 0.783 | S | S | * | * | 75.8 | 118 | 79.6 | -95.6 | -175.7 | -176.5 | 164.7 | 0 | 116.5 | |||||
| 816 | C | 23.5 | Very low | 25.3 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | -162.6 | 109.9 | 126.1 | -100.9 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 817 | K | 25.6 | Very low | 25.3 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | 57.1 | 118.1 | 60.8 | -76.3 | -168.1 | 173 | -169.9 | 0 | 112.7 | |||||
| 818 | T | 27.9 | Very low | 25.2 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | -146.4 | 127 | 70.5 | 39.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 819 | L | 25.2 | Very low | 25.4 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | 54.6 | 131.1 | 77.5 | -111.8 | 87.8 | 0 | 0 | 0 | 113.5 | |||||
| 820 | S | 25.8 | Very low | 25.5 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | cis | -165.3 | 160.3 | 15.2 | 66.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 821 | S | 29.7 | Very low | 25.6 | Very low | 95 Ų | 95 | 141.7 Ų | 141.7 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | cis | -174.1 | 136.9 | 46.6 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 822 | R | 25 | Very low | 25.6 | Very low | 229 Ų | 229 | 142.6 Ų | 142.6 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | 69.7 | 102.6 | 137.8 | -71.3 | 178.2 | 164.3 | 132.3 | -3 | 120.9 | ||||
| 823 | N | 23.8 | Very low | 25.7 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | 50.4 | 98.1 | 121.7 | -62.1 | -5.9 | 0 | 0 | 0 | 118.2 | |||||
| 824 | S | 24.4 | Very low | 25.7 | Very low | 109 Ų | 109 | 149.4 Ų | 149.4 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | 165.7 | 154.9 | 116.1 | 48.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 825 | L | 25.8 | Very low | 25.7 | Very low | 157 Ų | 157 | 154.1 Ų | 154.1 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | 91.6 | 77.2 | 162.6 | -66.7 | 131.5 | 0 | 0 | 0 | 118.5 | ||||
| 826 | H | 25.1 | Very low | 25.7 | Very low | 186 Ų | 186 | 152 Ų | 152 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | -24.9 | 143.9 | 121 | -102.2 | -58.3 | 0 | 0 | 0 | 114.3 | |||||
| 827 | S | 23.8 | Very low | 25.9 | Very low | 82 Ų | 82 | 153 Ų | 153 | 57% | 0.573 | 79% | 0.791 | S | S | * | * | trans | 92.2 | 110.2 | 165.7 | -158.6 | 0 | 0 | 0 | 0 | 116.4 | D830 | S827-D830 PolarHBondContact OG-O 3.36Å; S827-D830 VanDerWaalsContact OG-O 3.12Å | ||
| 828 | A | 26.5 | Very low | 26.1 | Very low | 94 Ų | 94 | 153.1 Ų | 153.1 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -148.7 | 40.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 829 | Y | 27.1 | Very low | 26.1 | Very low | 226 Ų | 226 | 155.4 Ų | 155.4 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -162.5 | 64.8 | 159.6 | -85.6 | -75.7 | 0 | 0 | 0 | 105.4 | ||
| 830 | D | 23.6 | Very low | 26.1 | Very low | 139 Ų | 139 | 151.4 Ų | 151.4 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | 171.6 | 103.2 | 165.2 | -88 | -22.1 | 0 | 0 | 0 | 108.4 | S827 | S827-D830 PolarHBondContact OG-O 3.36Å; S827-D830 VanDerWaalsContact OG-O 3.12Å | ||
| 831 | T | 26.1 | Very low | 26.4 | Very low | 128 Ų | 128 | 154.7 Ų | 154.7 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -148.9 | 92.9 | 158.4 | 16 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 832 | E | 23.8 | Very low | 26.1 | Very low | 195 Ų | 195 | 158.4 Ų | 158.4 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -62.6 | 119.7 | 149.1 | -65.7 | 180 | 150.9 | 0 | 0 | 107.5 | ||||
| 833 | E | 28.4 | Very low | 26.3 | Very low | 187 Ų | 187 | 156.2 Ų | 156.2 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -110 | 121.5 | 168.8 | -97.6 | -173.9 | 172.8 | 0 | 0 | 111.3 | ||||
| 834 | Y | 25.4 | Very low | 26.4 | Very low | 226 Ų | 226 | 159.8 Ų | 159.8 | 89% | 0.886 | 82% | 0.822 | S | S | * | * | trans | -88.5 | 141.5 | -174.5 | -140.9 | -98.4 | 0 | 0 | 0 | 110 | ||||
| 835 | Y | 26.5 | Very low | 26.5 | Very low | 216 Ų | 216 | 166.6 Ų | 166.6 | 85% | 0.847 | 83% | 0.83 | S | S | * | * | trans | -50 | 137.3 | 170.8 | -94.1 | -100 | 0 | 0 | 0 | 113.4 | ||||
| 836 | S | 27.4 | Very low | 26.7 | Very low | 117 Ų | 117 | 164.8 Ų | 164.8 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -160.2 | 131.6 | 139.9 | 49.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 837 | D | 26.2 | Very low | 26.8 | Very low | 148 Ų | 148 | 160.3 Ų | 160.3 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -58.8 | 134.6 | 175.9 | -71.6 | -55.1 | 0 | 0 | 0 | 113.6 | ||||
| 838 | V | 30 | Very low | 26.9 | Very low | 146 Ų | 146 | 162.8 Ų | 162.8 | 89% | 0.885 | 83% | 0.827 | S | S | * | * | trans | -140.1 | 109.5 | 145.1 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 839 | H | 27.8 | Very low | 26.9 | Very low | 185 Ų | 185 | 164.5 Ų | 164.5 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | trans | -27.9 | 144.1 | 162.6 | -85.5 | -92.9 | 0 | 0 | 0 | 117.8 | ||||
| 840 | G | 26.8 | Very low | 27 | Very low | 62 Ų | 62 | 162.4 Ų | 162.4 | 64% | 0.639 | 83% | 0.827 | S | S | * | * | trans | 130.1 | 78.5 | 131.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 841 | N | 30.2 | Very low | 27.1 | Very low | 172 Ų | 172 | 163.1 Ų | 163.1 | 92% | 0.92 | 83% | 0.83 | S | S | * | * | -178.7 | 121.2 | 110.1 | -93.8 | -24.4 | 0 | 0 | 0 | 111.9 | |||||
| 842 | Q | 25.4 | Very low | 27.2 | Very low | 172 Ų | 172 | 165 Ų | 165 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -71.7 | 137.7 | 173.9 | -63.7 | 174.3 | -2.1 | 0 | 0 | 110.1 | ||||
| 843 | L | 27.6 | Very low | 27.3 | Very low | 184 Ų | 184 | 162.8 Ų | 162.8 | 96% | 0.963 | 82% | 0.823 | S | S | * | * | trans | -132.8 | 132.9 | 138.2 | -132.7 | 95.3 | 0 | 0 | 0 | 110 | ||||
| 844 | R | 26.6 | Very low | 27.3 | Very low | 225 Ų | 225 | 162.9 Ų | 162.9 | 85% | 0.849 | 82% | 0.821 | S | S | * | * | trans | -76 | 154.6 | -161.4 | -78.8 | 170.2 | 162.1 | 169 | -6.2 | 114.4 | ||||
| 845 | R | 27.2 | Very low | 27.2 | Very low | 251 Ų | 251 | 160 Ų | 160 | 95% | 0.947 | 82% | 0.821 | S | S | * | * | trans | -38.5 | 140.2 | 154.7 | -78.4 | 173.2 | 169 | 170.6 | -3.5 | 113.5 | ||||
| 846 | S | 29.3 | Very low | 27.2 | Very low | 120 Ų | 120 | 157.6 Ų | 157.6 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -139.4 | 131.5 | 137 | 55.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 847 | S | 26.9 | Very low | 27.1 | Very low | 92 Ų | 92 | 158 Ų | 158 | 64% | 0.643 | 81% | 0.814 | S | S | * | * | trans | -78.3 | 169.2 | 179.9 | 51.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 848 | D | 26.3 | Very low | 27.1 | Very low | 133 Ų | 133 | 161.2 Ų | 161.2 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | trans | 83.6 | 126 | 151.4 | -50.6 | -40.9 | 0 | 0 | 0 | 118.8 | ||||
| 849 | T | 26.5 | Very low | 27.2 | Very low | 130 Ų | 130 | 161.7 Ų | 161.7 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | trans | 61.4 | 99.6 | 149 | 46.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 850 | E | 29 | Very low | 28 | Very low | 183 Ų | 183 | 156.7 Ų | 156.7 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | -169.6 | 130.7 | 109.1 | -103.9 | 171.2 | -177.7 | 0 | 0 | 112.8 | H852 | E850-H852 PolarHBondContact O-N 3.03Š| |||
| 851 | L | 25.7 | Very low | 29.3 | Very low | 154 Ų | 154 | 158.8 Ų | 158.8 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | trans | -85.9 | 97.6 | -178.3 | -167.1 | 136.4 | 0 | 0 | 0 | 106.7 | ||||
| 852 | H | 28.6 | Very low | 30.9 | Very low | 166 Ų | 166 | 153.7 Ų | 153.7 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | -132.8 | 97.9 | 168.7 | -96.7 | -70.7 | 0 | 0 | 0 | 112.1 | E850 K854 | E850-H852 PolarHBondContact O-N 3.03Å; H852-K854 PolarHBondContact O-N 3.39Å | ||
| 853 | L | 26.2 | Very low | 33.2 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -4.4 | 100.4 | 143.8 | -101.3 | 77.6 | 0 | 0 | 0 | 114.7 | ||||
| 854 | K | 27.5 | Very low | 35.6 | Very low | 189 Ų | 189 | 141.9 Ų | 141.9 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | trans | -142 | 72.7 | 147.7 | -84.9 | -170.7 | 178.7 | 172.5 | 0 | 109.3 | H852 H856 | H852-K854 PolarHBondContact O-N 3.39Å; K854-H856 PolarHBondContact O-N 3.42Å | ||
| 855 | N | 23.1 | Very low | 38.1 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 88% | 0.882 | 66% | 0.661 | S | S | * | * | trans | -74.5 | 77.5 | 161.9 | -76.6 | -12.7 | 0 | 0 | 0 | 108.6 | ||||
| 856 | H | 26.5 | Very low | 40.3 | Very low | 165 Ų | 165 | 121.9 Ų | 121.9 | 76% | 0.764 | 63% | 0.629 | S | S | * | * | trans | -100.8 | 109.1 | 153.4 | -93.8 | -72.6 | 0 | 0 | 0 | 106.8 | K854 Y858 | K854-H856 PolarHBondContact O-N 3.42Å; H856-Y858 VanDerWaalsContact C-N 3.31Å; H856-Y858 PolarHBondContact O-N 2.94Å | ||
| 857 | T | 25.7 | Very low | 42.4 | Very low | 126 Ų | 126 | 117.9 Ų | 117.9 | 77% | 0.773 | 60% | 0.6 | S | S | * | * | trans | -57 | 90.7 | 169.9 | 33.3 | 0 | 0 | 0 | 0 | 109.6 | H859 | T857-H859 PolarHBondContact O-N 3Š| ||
| 858 | Y | 25.6 | Very low | 44.8 | Very low | 215 Ų | 215 | 113.5 Ų | 113.5 | 84% | 0.843 | 57% | 0.57 | S | S | * | * | trans | -66.1 | 97.8 | 165.6 | -122.6 | -94.2 | 0 | 0 | 0 | 106.7 | H856 P860 | H856-Y858 VanDerWaalsContact C-N 3.31Å; H856-Y858 PolarHBondContact O-N 2.94Å; Y858-P860 WeakPolarHBondContact O-CD 3.32Å | ||
| 859 | H | 32.6 | Very low | 47.3 | Very low | 157 Ų | 157 | 107.8 Ų | 107.8 | 73% | 0.727 | 54% | 0.538 | S | S | * | . | trans | -60.6 | 121.2 | 162.1 | -89.6 | -86.8 | 0 | 0 | 0 | 106.6 | T857 T861 | T857-H859 PolarHBondContact O-N 3Å; H859-T861 PolarHBondContact O-N 3.26Å | ||
| 860 | P | 44.2 | Very low | 50.2 | Low | 80 Ų | 80 | 101.6 Ų | 101.6 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | trans | -60.4 | 112.2 | 170.9 | 24.3 | -30.3 | 0 | 0 | 0 | 106.7 | Y858 Y862 | Y858-P860 WeakPolarHBondContact O-CD 3.32Å; P860-Y862 PolarHBondContact O-N 3.32Å | ||
| 861 | T | 54.1 | Low | 53 | Low | 105 Ų | 105 | 93 Ų | 93 | 64% | 0.644 | 46% | 0.461 | S | S | * | . | trans | -68.5 | 101.4 | 172.2 | 46 | 0 | 0 | 0 | 0 | 106.6 | H859 E863 | H859-T861 PolarHBondContact O-N 3.26Å; T861-E863 PolarHBondContact O-N 3.45Å | ||
| 862 | Y | 64.5 | Low | 55.7 | Low | 66 Ų | 66 | 86.6 Ų | 86.6 | 26% | 0.259 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 134 | 173.6 | -62.5 | -69.3 | 0 | 0 | 0 | 109.3 | P860 Y871 P928 P954 K955 | P860-Y862 PolarHBondContact O-N 3.32Å; Y862-Y871 HydrophobicContact CG-CD1 4.48Å; Y862-P928 HydrophobicContact CD2-CB 3.92Å; Y862-P928 HydrophobicContact CD2-CG 4.49Å; Y862-P928 HydrophobicContact CE2-CB 4.07Å; Y862-P954 HydrophobicContact CD1-CB 3.66Å; Y862-P954 HydrophobicContact CD1-CG 3.97Å; Y862-P954 HydrophobicContact CE1-CB 3.43Å; Y862-P954 VanDerWaalsContact CE1-CB 3.43Å; Y862-P954 HydrophobicContact CE1-CG 4.14Å; Y862-K955 VanDerWaalsContact OH-CE 3.3Å; Y862-K955 WeakPolarHBondContact OH-CE 3.45Å |
| 863 | E | 73.9 | Confident | 58.4 | Low | 70 Ų | 70 | 79.6 Ų | 79.6 | 33% | 0.327 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 163.3 | 174.1 | -71.5 | 175.9 | -165 | 0 | 0 | 109.8 | T861 Y872 | T861-E863 PolarHBondContact O-N 3.45Å; E863-Y872 HydrophobicContact CB-CD1 4.06Å; E863-Y872 PolarHBondContact N-O 2.95Å; E863-Y872 PolarHBondContact O-N 3.39Å |
| 864 | F | 78.9 | Confident | 61 | Low | 38 Ų | 38 | 74.7 Ų | 74.7 | 17% | 0.167 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 152.9 | 171 | -62.7 | -73.9 | 0 | 0 | 0 | 109.4 | Y870 Y871 H1121 L1149 | F864-Y870 WeakPolarHBondContact CA-O 3.34Å; F864-Y871 HydrophobicContact CD1-CD1 4.22Å; F864-Y871 HydrophobicContact CD1-CE1 4.26Å; F864-Y871 AromaticContact CE1-CD1 3.86Å; F864-Y871 HydrophobicContact CE1-CD1 3.86Å; F864-Y871 AromaticContact CE1-CE1 3.46Å; F864-Y871 HydrophobicContact CE1-CE1 3.46Å; F864-Y871 VanDerWaalsContact CE1-CE1 3.46Å; F864-Y871 AromaticContact CE1-CZ 3.89Å; F864-Y871 AromaticContact CZ-CE1 3.9Å; F864-Y871 HydrophobicContact CZ-CE1 3.9Å; F864-H1121 PolarHBondContact O-N 3.12Å; F864-L1149 HydrophobicContact CB-CD2 4.35Å; F864-L1149 HydrophobicContact CD2-CD2 3.79Å; F864-L1149 HydrophobicContact CE2-CD2 4.45Å; F864-L1149 HydrophobicContact CG-CD2 4.24Å |
| 865 | D | 78.8 | Confident | 63.7 | Low | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -64.6 | 168.8 | 168.3 | 81 | -59.9 | 0 | 0 | 0 | 111.1 | T867 G868 M869 Y870 L1118 I1119 | D865-T867 PolarHBondContact O-N 3.44Å; D865-T867 VanDerWaalsContact O-N 3.09Å; D865-T867 WeakPolarHBondContact OD2-CB 3.48Å; D865-T867 PolarHBondContact OD2-N 3.12Å; D865-T867 VanDerWaalsContact OD2-N 3.08Å; D865-T867 PolarHBondContact OD2-OG1 2.95Å; D865-G868 PolarHBondContact O-N 3.21Å; D865-G868 PolarHBondContact OD1-N 3.03Å; D865-G868 VanDerWaalsContact OD1-N 3.11Å; D865-M869 PolarHBondContact OD1-N 3.27Å; D865-Y870 PolarHBondContact N-O 2.86Å; D865-Y870 VanDerWaalsContact N-O 3.08Å; D865-Y870 PolarHBondContact OD1-N 3.32Å; D865-L1118 HydrophobicContact CB-CD2 4.14Å; D865-I1119 CarbonylContact C-O 3.58Å; D865-I1119 WeakPolarHBondContact CA-O 3.39Å |
| 866 | I | 72.5 | Confident | 66.7 | Low | 55 Ų | 55 | 69.5 Ų | 69.5 | 28% | 0.282 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -30.3 | -179.9 | -168.9 | 165 | 0 | 0 | 0 | 113.7 | I1119 R1124 | I866-I1119 PolarHBondContact N-O 3.25Å; I866-R1124 VanDerWaalsContact CD1-CZ 3.44Å |
| 867 | T | 73.8 | Confident | 69.6 | Low | 37 Ų | 37 | 68.2 Ų | 68.2 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -11.2 | 179.1 | 70.4 | 0 | 0 | 0 | 0 | 113.6 | D865 M869 L1108 I1152 | D865-T867 PolarHBondContact O-N 3.44Å; D865-T867 VanDerWaalsContact O-N 3.09Å; D865-T867 WeakPolarHBondContact OD2-CB 3.48Å; D865-T867 PolarHBondContact OD2-N 3.12Å; D865-T867 VanDerWaalsContact OD2-N 3.08Å; D865-T867 PolarHBondContact OD2-OG1 2.95Å; T867-M869 PolarHBondContact O-N 3.38Å; T867-M869 VanDerWaalsContact OG1-CB 3.28Å; T867-M869 WeakPolarHBondContact OG1-CB 3.49Å; T867-M869 WeakPolarHBondContact OG1-CG 3.3Å; T867-M869 PolarHBondContact OG1-N 2.88Å; T867-L1108 HydrophobicContact CG2-CD1 3.79Å; T867-I1152 WeakPolarHBondContact O-CD1 3.34Å |
| 868 | G | 76.2 | Confident | 72.7 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | S | Bend | trans | 70.5 | 10 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D865 S924 L1149 | D865-G868 PolarHBondContact O-N 3.21Å; D865-G868 PolarHBondContact OD1-N 3.03Å; D865-G868 VanDerWaalsContact OD1-N 3.11Å; G868-S924 VanDerWaalsContact O-CB 3.31Å; G868-S924 WeakPolarHBondContact O-CB 3.26Å; G868-S924 PolarHBondContact O-OG 3.48Å; G868-L1149 VanDerWaalsContact CA-CD1 3.45Å |
| 869 | M | 79.4 | Confident | 75.6 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 6% | 0.059 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -85 | -27 | -175.2 | -63.5 | -68.5 | -68.2 | 0 | 0 | 112.3 | D865 T867 S924 G1103 I1152 R1155 | D865-M869 PolarHBondContact OD1-N 3.27Å; T867-M869 PolarHBondContact O-N 3.38Å; T867-M869 VanDerWaalsContact OG1-CB 3.28Å; T867-M869 WeakPolarHBondContact OG1-CB 3.49Å; T867-M869 WeakPolarHBondContact OG1-CG 3.3Å; T867-M869 PolarHBondContact OG1-N 2.88Å; M869-S924 WeakPolarHBondContact O-CB 3.32Å; M869-S924 PolarHBondContact O-N 3.05Å; M869-S924 PolarHBondContact O-OG 2.75Å; M869-S924 VanDerWaalsContact O-OG 3.05Å; M869-G1103 WeakPolarHBondContact CE-O 3.45Å; M869-I1152 HydrophobicContact CG-CG2 4.18Å; M869-I1152 HydrophobicContact SD-CG2 3.22Å; M869-I1152 WeakPolarHBondContact SD-CG2 3.16Å; M869-R1155 PolarHBondContact O-NH2 3.5Å; M869-R1155 VanDerWaalsContact SD-CZ 3.54Å; M869-R1155 PolarHBondContact SD-NH1 3.35Å |
| 870 | Y | 86.7 | Confident | 78 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -136.2 | 154.5 | -172.4 | -58.5 | -73 | 0 | 0 | 0 | 112.6 | F864 D865 M919 R922 A923 T1101 V1104 L1108 | F864-Y870 WeakPolarHBondContact CA-O 3.34Å; D865-Y870 PolarHBondContact N-O 2.86Å; D865-Y870 VanDerWaalsContact N-O 3.08Å; D865-Y870 PolarHBondContact OD1-N 3.32Å; Y870-M919 HydrophobicContact CD1-CG 3.69Å; Y870-M919 WeakPolarHBondContact CD1-O 3.5Å; Y870-M919 HydrophobicContact CD2-CG 4.18Å; Y870-M919 HydrophobicContact CE1-CB 4.38Å; Y870-M919 HydrophobicContact CE1-CG 3.26Å; Y870-M919 WeakPolarHBondContact CE1-O 3.19Å; Y870-M919 HydrophobicContact CE1-SD 4.34Å; Y870-M919 HydrophobicContact CE2-CG 3.77Å; Y870-M919 HydrophobicContact CE2-SD 3.9Å; Y870-M919 HydrophobicContact CG-CG 4.15Å; Y870-R922 WeakPolarHBondContact CA-O 3.37Å; Y870-A923 HydrophobicContact CD1-CB 4.3Å; Y870-A923 HydrophobicContact CE1-CB 4.15Å; Y870-T1101 PolarHBondContact OH-O 3.05Å; Y870-V1104 WeakPolarHBondContact OH-CG2 3.31Å; Y870-L1108 HydrophobicContact CD2-CD2 4.2Å; Y870-L1108 HydrophobicContact CE2-CD2 3.53Å |
| 871 | Y | 87.7 | Confident | 80 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 134.9 | 167 | -74.3 | -74.1 | 0 | 0 | 0 | 111 | Y862 F864 R922 F926 P928 L931 R1153 | Y862-Y871 HydrophobicContact CG-CD1 4.48Å; F864-Y871 HydrophobicContact CD1-CD1 4.22Å; F864-Y871 HydrophobicContact CD1-CE1 4.26Å; F864-Y871 AromaticContact CE1-CD1 3.86Å; F864-Y871 HydrophobicContact CE1-CD1 3.86Å; F864-Y871 AromaticContact CE1-CE1 3.46Å; F864-Y871 HydrophobicContact CE1-CE1 3.46Å; F864-Y871 VanDerWaalsContact CE1-CE1 3.46Å; F864-Y871 AromaticContact CE1-CZ 3.89Å; F864-Y871 AromaticContact CZ-CE1 3.9Å; F864-Y871 HydrophobicContact CZ-CE1 3.9Å; Y871-R922 PolarHBondContact N-O 3.5Å; Y871-F926 VanDerWaalsContact CE2-O 3.32Å; Y871-F926 WeakPolarHBondContact CE2-O 3.15Å; Y871-F926 PolarHBondContact OH-O 2.72Å; Y871-P928 HydrophobicContact CE1-CG 4.25Å; Y871-P928 WeakPolarHBondContact OH-CD 3.22Å; Y871-L931 HydrophobicContact CD2-CD1 3.73Å; Y871-L931 HydrophobicContact CD2-CD2 4.17Å; Y871-L931 HydrophobicContact CD2-CG 4.46Å; Y871-L931 HydrophobicContact CE2-CD1 3.98Å; Y871-L931 HydrophobicContact CE2-CD2 4.28Å; Y871-L931 HydrophobicContact CE2-CG 4.44Å; Y871-L931 HydrophobicContact CG-CD1 4.1Å; Y871-R1153 PolarHBondContact OH-NH2 2.91Å |
| 872 | Y | 84 | Confident | 81.5 | Confident | 18 Ų | 18 | 48.9 Ų | 48.9 | 7% | 0.071 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148.2 | -176.9 | 171.4 | -100.6 | 0 | 0 | 0 | 111.1 | E863 N952 L1118 G1120 | E863-Y872 HydrophobicContact CB-CD1 4.06Å; E863-Y872 PolarHBondContact N-O 2.95Å; E863-Y872 PolarHBondContact O-N 3.39Å; Y872-N952 HydrophobicContact CD2-CB 4.07Å; Y872-N952 HydrophobicContact CE2-CB 3.9Å; Y872-N952 WeakPolarHBondContact CE2-ND2 3.46Å; Y872-L1118 HydrophobicContact CD2-CB 4.32Å; Y872-L1118 WeakPolarHBondContact CE2-O 3.35Å; Y872-G1120 VanDerWaalsContact CE1-N 3.33Å |
| 873 | C | 84.9 | Confident | 82.4 | Confident | 20 Ų | 20 | 46 Ų | 46 | 14% | 0.135 | 23% | 0.228 | C | C | . | . | trans | -134.6 | 156 | 160.9 | 66 | 0 | 0 | 0 | 0 | 110.6 | Q876 N952 | C873-Q876 PolarHBondContact SG-NE2 3.48Å; C873-N952 PolarHBondContact N-O 2.99Å; C873-N952 WeakPolarHBondContact O-CA 2.91Å; C873-N952 PolarHBondContact O-ND2 2.88Å; C873-N952 PolarHBondContact SG-O 3.02Å | ||
| 874 | G | 81.1 | Confident | 82.4 | Confident | 46 Ų | 46 | 46.1 Ų | 46.1 | 47% | 0.474 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -51.9 | 147.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q876 | G874-Q876 WeakPolarHBondContact O-CG 3.5Å; G874-Q876 PolarHBondContact O-N 2.97Å |
| 875 | R | 83.7 | Confident | 81.7 | Confident | 190 Ų | 190 | 48.8 Ų | 48.8 | 72% | 0.717 | 26% | 0.257 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 120.5 | -175.7 | -174.6 | 175.1 | -179.4 | 164.3 | -0.6 | 110.6 | A951 | R875-A951 HydrophobicContact CG-CB 4.02Š|
| 876 | Q | 85.9 | Confident | 80.6 | Confident | 56 Ų | 56 | 55.5 Ų | 55.5 | 26% | 0.262 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -96.6 | 143.4 | -178.2 | -54.5 | -177.9 | -18.3 | 0 | 0 | 111.8 | C873 G874 N881 W947 A951 | C873-Q876 PolarHBondContact SG-NE2 3.48Å; G874-Q876 WeakPolarHBondContact O-CG 3.5Å; G874-Q876 PolarHBondContact O-N 2.97Å; Q876-N881 VanDerWaalsContact CB-ND2 3.32Å; Q876-N881 WeakPolarHBondContact CB-ND2 3.33Å; Q876-N881 PolarHBondContact OE1-ND2 3.1Å; Q876-N881 PolarHBondContact OE1-OD1 3.02Å; Q876-W947 HydrophobicContact CB-CZ2 4.43Å; Q876-W947 PolarHBondContact O-NE1 3.27Å; Q876-A951 PolarHBondContact N-O 2.96Å |
| 877 | E | 88.4 | Confident | 80 | Confident | 138 Ų | 138 | 55.1 Ų | 55.1 | 65% | 0.645 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 151.1 | 171.9 | -64.6 | -171.2 | -177.6 | 0 | 0 | 111 | N881 | E877-N881 PolarHBondContact O-ND2 2.82Å; E877-N881 VanDerWaalsContact O-ND2 3.09Å |
| 878 | F | 89.6 | Confident | 79.2 | Confident | 22 Ų | 22 | 55 Ų | 55 | 10% | 0.096 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -41.5 | -178.8 | 177.2 | -98.4 | 0 | 0 | 0 | 111.8 | D880 N881 L882 I940 L943 Q944 W947 T958 | F878-D880 VanDerWaalsContact C-N 3.34Å; F878-D880 PolarHBondContact O-N 3.4Å; F878-N881 PolarHBondContact O-N 3Å; F878-L882 HydrophobicContact CE1-CB 4.49Å; F878-L882 HydrophobicContact CE1-CD1 4.23Å; F878-L882 HydrophobicContact CE1-CD2 4.13Å; F878-L882 HydrophobicContact CZ-CD1 4.19Å; F878-L882 PolarHBondContact O-N 2.72Å; F878-I940 HydrophobicContact CE1-CD1 4.32Å; F878-I940 HydrophobicContact CE1-CG1 3.97Å; F878-I940 HydrophobicContact CZ-CG1 4.08Å; F878-L943 HydrophobicContact CE2-CB 4.08Å; F878-L943 HydrophobicContact CZ-CB 4.33Å; F878-Q944 HydrophobicContact CD1-CG 3.67Å; F878-Q944 HydrophobicContact CD2-CG 4.09Å; F878-Q944 HydrophobicContact CE1-CG 3.46Å; F878-Q944 VanDerWaalsContact CE1-CG 3.46Å; F878-Q944 HydrophobicContact CE2-CG 3.89Å; F878-Q944 HydrophobicContact CG-CG 3.99Å; F878-Q944 HydrophobicContact CZ-CG 3.57Å; F878-W947 HydrophobicContact CB-CD2 4.49Å; F878-W947 HydrophobicContact CB-CG 4.09Å; F878-W947 HydrophobicContact CD2-CB 3.83Å; F878-W947 AromaticContact CD2-CD2 3.78Å; F878-W947 HydrophobicContact CD2-CD2 3.78Å; F878-W947 HydrophobicContact CD2-CE3 4.06Å; F878-W947 AromaticContact CD2-CG 3.65Å; F878-W947 HydrophobicContact CD2-CG 3.65Å; F878-W947 HydrophobicContact CG-CG 4.37Å; F878-T958 HydrophobicContact CE2-CG2 4.08Å |
| 879 | E | 86.2 | Confident | 78 | Confident | 115 Ų | 115 | 63.1 Ų | 63.1 | 54% | 0.537 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -65.2 | -34.8 | -175.7 | -63.4 | -58.2 | 148.9 | 0 | 0 | 112.8 | N881 L882 | E879-N881 PolarHBondContact O-N 3.33Å; E879-L882 PolarHBondContact O-N 3.4Å |
| 880 | D | 84 | Confident | 76.7 | Confident | 112 Ų | 112 | 72 Ų | 72 | 60% | 0.599 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -65.6 | -25.6 | 177.7 | -74.4 | -21.4 | 0 | 0 | 0 | 112.8 | F878 | F878-D880 VanDerWaalsContact C-N 3.34Å; F878-D880 PolarHBondContact O-N 3.4Å |
| 881 | N | 85.2 | Confident | 75.3 | Confident | 11 Ų | 11 | 73.7 Ų | 73.7 | 6% | 0.059 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -104.1 | 0.9 | -177.8 | -67.4 | -67.2 | 0 | 0 | 0 | 113.5 | Q876 E877 F878 E879 W947 V956 Y957 T958 | Q876-N881 VanDerWaalsContact CB-ND2 3.32Å; Q876-N881 WeakPolarHBondContact CB-ND2 3.33Å; Q876-N881 PolarHBondContact OE1-ND2 3.1Å; Q876-N881 PolarHBondContact OE1-OD1 3.02Å; E877-N881 PolarHBondContact O-ND2 2.82Å; E877-N881 VanDerWaalsContact O-ND2 3.09Å; F878-N881 PolarHBondContact O-N 3Å; E879-N881 PolarHBondContact O-N 3.33Å; N881-W947 HydrophobicContact CB-CH2 3.42Å; N881-W947 VanDerWaalsContact CB-CH2 3.42Å; N881-W947 HydrophobicContact CB-CZ2 3.68Å; N881-W947 HydrophobicContact CB-CZ3 4.31Å; N881-W947 VanDerWaalsContact ND2-CZ2 3.29Å; N881-W947 WeakPolarHBondContact ND2-CZ2 3.36Å; N881-V956 PolarHBondContact OD1-O 2.94Å; N881-Y957 HydrophobicContact CB-CD1 4.36Å; N881-T958 PolarHBondContact O-N 3.3Å; N881-T958 PolarHBondContact O-OG1 3.39Å |
| 882 | L | 86.9 | Confident | 73.9 | Confident | 17 Ų | 17 | 74.4 Ų | 74.4 | 9% | 0.089 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -84.7 | 115 | 177.4 | -176.4 | 65.6 | 0 | 0 | 0 | 111.1 | F878 E879 T884 I940 A960 | F878-L882 HydrophobicContact CE1-CB 4.49Å; F878-L882 HydrophobicContact CE1-CD1 4.23Å; F878-L882 HydrophobicContact CE1-CD2 4.13Å; F878-L882 HydrophobicContact CZ-CD1 4.19Å; F878-L882 PolarHBondContact O-N 2.72Å; E879-L882 PolarHBondContact O-N 3.4Å; L882-T884 PolarHBondContact O-N 3.35Å; L882-I940 HydrophobicContact CD2-CD1 4.21Å; L882-A960 HydrophobicContact CD1-CB 4.1Å |
| 883 | I | 83.2 | Confident | 73.1 | Confident | 5 Ų | 5 | 80.3 Ų | 80.3 | 3% | 0.026 | 41% | 0.409 | C | S | . | . | trans | -80.6 | 106.2 | 175.9 | -52.3 | -170.4 | 0 | 0 | 0 | 109 | F888 L895 L935 Y957 T958 L959 | I883-F888 HydrophobicContact CG2-CD1 4.29Å; I883-F888 HydrophobicContact CG2-CD2 3.94Å; I883-F888 HydrophobicContact CG2-CE1 3.93Å; I883-F888 HydrophobicContact CG2-CE2 3.56Å; I883-F888 HydrophobicContact CG2-CG 4.29Å; I883-F888 HydrophobicContact CG2-CZ 3.55Å; I883-L895 HydrophobicContact CD1-CD1 4.05Å; I883-L895 HydrophobicContact CD1-CD2 4.19Å; I883-L935 HydrophobicContact CD1-CD1 3.68Å; I883-L935 HydrophobicContact CG1-CD1 4.39Å; I883-Y957 HydrophobicContact CD1-CG 4.32Å; I883-T958 PolarHBondContact N-O 3.5Å; I883-L959 HydrophobicContact CB-CD1 4.34Å; I883-L959 WeakPolarHBondContact O-CD1 3.44Å | ||
| 884 | T | 73.7 | Confident | 72.6 | Confident | 72 Ų | 72 | 82.4 Ų | 82.4 | 44% | 0.442 | 42% | 0.419 | S | S | . | . | trans | -95.7 | 156.7 | 169.7 | -58 | 0 | 0 | 0 | 0 | 109.5 | L882 N886 S887 F888 | L882-T884 PolarHBondContact O-N 3.35Å; T884-N886 PolarHBondContact O-N 3.09Å; T884-S887 PolarHBondContact N-OG 2.9Å; T884-S887 PolarHBondContact O-N 2.88Å; T884-S887 PolarHBondContact O-OG 2.78Å; T884-S887 VanDerWaalsContact O-OG 3.12Å; T884-F888 VanDerWaalsContact O-CD2 3.25Å; T884-F888 WeakPolarHBondContact O-CD2 3.14Å | ||
| 885 | S | 63.8 | Low | 72.5 | Confident | 94 Ų | 94 | 80.4 Ų | 80.4 | 66% | 0.657 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | -27.5 | 176.8 | 58 | 0 | 0 | 0 | 0 | 114.4 | ||
| 886 | N | 55.8 | Low | 72.4 | Confident | 142 Ų | 142 | 75.4 Ų | 75.4 | 76% | 0.759 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -23.7 | -178 | -62.6 | -7.6 | 0 | 0 | 0 | 114 | T884 F888 | T884-N886 PolarHBondContact O-N 3.09Å; N886-F888 VanDerWaalsContact C-N 3.33Å |
| 887 | S | 59.6 | Low | 72.4 | Confident | 46 Ų | 46 | 76.5 Ų | 76.5 | 32% | 0.322 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3.3 | -178.1 | 37.9 | 0 | 0 | 0 | 0 | 114 | T884 H889 K890 | T884-S887 PolarHBondContact N-OG 2.9Å; T884-S887 PolarHBondContact O-N 2.88Å; T884-S887 PolarHBondContact O-OG 2.78Å; T884-S887 VanDerWaalsContact O-OG 3.12Å; S887-H889 PolarHBondContact O-N 3.44Å; S887-K890 PolarHBondContact O-N 3.24Å |
| 888 | F | 56.4 | Low | 72.6 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 16% | 0.158 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54.5 | -26.4 | -177.1 | -93 | -84.1 | 0 | 0 | 0 | 115.3 | I883 T884 N886 S892 L895 A971 | I883-F888 HydrophobicContact CG2-CD1 4.29Å; I883-F888 HydrophobicContact CG2-CD2 3.94Å; I883-F888 HydrophobicContact CG2-CE1 3.93Å; I883-F888 HydrophobicContact CG2-CE2 3.56Å; I883-F888 HydrophobicContact CG2-CG 4.29Å; I883-F888 HydrophobicContact CG2-CZ 3.55Å; T884-F888 VanDerWaalsContact O-CD2 3.25Å; T884-F888 WeakPolarHBondContact O-CD2 3.14Å; N886-F888 VanDerWaalsContact C-N 3.33Å; F888-S892 WeakPolarHBondContact O-CA 3.16Å; F888-S892 WeakPolarHBondContact O-CB 3.12Å; F888-S892 PolarHBondContact O-N 2.88Å; F888-S892 VanDerWaalsContact O-N 3.08Å; F888-L895 HydrophobicContact CD1-CD1 4.29Å; F888-L895 HydrophobicContact CE1-CD1 3.89Å; F888-A971 WeakPolarHBondContact CE1-O 3.42Å; F888-A971 HydrophobicContact CZ-CB 4.22Å; F888-A971 WeakPolarHBondContact CZ-O 3.38Å |
| 889 | H | 51 | Low | 72.8 | Confident | 169 Ų | 169 | 69 Ų | 69 | 78% | 0.782 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -68.5 | -37.2 | -175 | -88.3 | -72.9 | 0 | 0 | 0 | 114.2 | S887 S892 | S887-H889 PolarHBondContact O-N 3.44Å; H889-S892 PolarHBondContact O-OG 3.15Å |
| 890 | K | 52.2 | Low | 73.3 | Confident | 200 Ų | 200 | 63.6 Ų | 63.6 | 87% | 0.87 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -76.3 | -33.9 | -177.3 | -80.1 | -177.1 | 176.3 | 179.4 | 0 | 113.4 | S887 | S887-K890 PolarHBondContact O-N 3.24Å |
| 891 | Q | 58.1 | Low | 73.9 | Confident | 35 Ų | 35 | 58.2 Ų | 58.2 | 16% | 0.164 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -105.2 | 4.1 | -174.5 | -66.1 | 167.5 | -5.5 | 0 | 0 | 113 | H893 D894 Y957 | Q891-H893 PolarHBondContact O-N 3.04Å; Q891-H893 VanDerWaalsContact O-N 3.08Å; Q891-D894 PolarHBondContact O-N 3.06Å; Q891-D894 VanDerWaalsContact O-N 3.09Å; Q891-Y957 HydrophobicContact CG-CE1 4.41Å |
| 892 | S | 58.5 | Low | 74.4 | Confident | 19 Ų | 19 | 57.7 Ų | 57.7 | 13% | 0.133 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -22.7 | -175.9 | 59 | 0 | 0 | 0 | 0 | 115 | F888 H889 Y896 R973 | F888-S892 WeakPolarHBondContact O-CA 3.16Å; F888-S892 WeakPolarHBondContact O-CB 3.12Å; F888-S892 PolarHBondContact O-N 2.88Å; F888-S892 VanDerWaalsContact O-N 3.08Å; H889-S892 PolarHBondContact O-OG 3.15Å; S892-Y896 WeakPolarHBondContact O-CD2 3.2Å; S892-Y896 WeakPolarHBondContact O-CE2 3.24Å; S892-R973 PolarHBondContact O-NH1 3.21Å |
| 893 | H | 66.3 | Low | 74.8 | Confident | 142 Ų | 142 | 57 Ų | 57 | 66% | 0.657 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -31.2 | 178.4 | -72.9 | -76.7 | 0 | 0 | 0 | 112.4 | Q891 L895 | Q891-H893 PolarHBondContact O-N 3.04Å; Q891-H893 VanDerWaalsContact O-N 3.08Å; H893-L895 VanDerWaalsContact C-N 3.32Å; H893-L895 PolarHBondContact O-N 3.45Å |
| 894 | D | 74.7 | Confident | 75.3 | Confident | 64 Ų | 64 | 57.1 Ų | 57.1 | 34% | 0.342 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -14.4 | -176.2 | -64.7 | -29.4 | 0 | 0 | 0 | 113.4 | Q891 Y896 T933 | Q891-D894 PolarHBondContact O-N 3.06Å; Q891-D894 VanDerWaalsContact O-N 3.09Å; D894-Y896 VanDerWaalsContact C-N 3.27Å; D894-Y896 PolarHBondContact O-N 3.35Å; D894-T933 HydrophobicContact CB-CG2 4.34Å; D894-T933 WeakPolarHBondContact O-CB 3.45Å; D894-T933 PolarHBondContact O-OG1 3.13Å |
| 895 | L | 80 | Confident | 76 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 20.6 | -179.8 | -61.8 | -179.4 | 0 | 0 | 0 | 113.6 | I883 F888 H893 H898 L935 | I883-L895 HydrophobicContact CD1-CD1 4.05Å; I883-L895 HydrophobicContact CD1-CD2 4.19Å; F888-L895 HydrophobicContact CD1-CD1 4.29Å; F888-L895 HydrophobicContact CE1-CD1 3.89Å; H893-L895 VanDerWaalsContact C-N 3.32Å; H893-L895 PolarHBondContact O-N 3.45Å; L895-H898 VanDerWaalsContact C-ND1 3.3Å; L895-H898 PolarHBondContact O-CE1 3.2Å; L895-H898 PolarHBondContact O-ND1 3.29Å; L895-L935 HydrophobicContact CD2-CD2 4.06Å |
| 896 | Y | 81.9 | Confident | 77.2 | Confident | 86 Ų | 86 | 53.4 Ų | 53.4 | 34% | 0.337 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -103.1 | 130.6 | 167.4 | -72.1 | -82.2 | 0 | 0 | 0 | 109.4 | S892 D894 H898 Y976 | S892-Y896 WeakPolarHBondContact O-CD2 3.2Å; S892-Y896 WeakPolarHBondContact O-CE2 3.24Å; D894-Y896 VanDerWaalsContact C-N 3.27Å; D894-Y896 PolarHBondContact O-N 3.35Å; Y896-H898 VanDerWaalsContact C-N 3.28Å; Y896-H898 PolarHBondContact O-N 3.27Å; Y896-Y976 HydrophobicContact CD1-CD1 4.23Å; Y896-Y976 HydrophobicContact CD1-CD2 4.01Å; Y896-Y976 HydrophobicContact CD1-CE2 4.45Å; Y896-Y976 AromaticContact CD1-CG 3.91Å; Y896-Y976 HydrophobicContact CD1-CG 3.91Å; Y896-Y976 HydrophobicContact CE1-CD1 4.21Å; Y896-Y976 AromaticContact CE1-CD2 3.74Å; Y896-Y976 HydrophobicContact CE1-CD2 3.74Å; Y896-Y976 HydrophobicContact CE1-CE1 4.21Å; Y896-Y976 AromaticContact CE1-CE2 3.74Å; Y896-Y976 HydrophobicContact CE1-CE2 3.74Å; Y896-Y976 HydrophobicContact CE1-CG 4Å; Y896-Y976 AromaticContact CE1-CZ 3.99Å |
| 897 | N | 86 | Confident | 78.7 | Confident | 78 Ų | 78 | 48.7 Ų | 48.7 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 59.8 | 34.3 | -176.6 | -163.9 | 36.6 | 0 | 0 | 0 | 114 | Y976 S978 I1026 | N897-Y976 WeakPolarHBondContact CA-O 3.37Å; N897-Y976 PolarHBondContact N-O 3.4Å; N897-S978 VanDerWaalsContact OD1-CB 3.25Å; N897-S978 WeakPolarHBondContact OD1-CB 3.35Å; N897-I1026 HydrophobicContact CB-CD1 4.01Å |
| 898 | H | 91.2 | Very high | 79.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 165.8 | -179.6 | 67.4 | -84.7 | 0 | 0 | 0 | 112.1 | L895 Y896 T933 A972 S977 S978 | L895-H898 VanDerWaalsContact C-ND1 3.3Å; L895-H898 PolarHBondContact O-CE1 3.2Å; L895-H898 PolarHBondContact O-ND1 3.29Å; Y896-H898 VanDerWaalsContact C-N 3.28Å; Y896-H898 PolarHBondContact O-N 3.27Å; H898-T933 CarbonylContact C-O 3.55Å; H898-T933 WeakPolarHBondContact CA-O 3.29Å; H898-T933 WeakPolarHBondContact CB-O 3.31Å; H898-A972 PolarHBondContact CE1-O 3Å; H898-A972 VanDerWaalsContact CE1-O 3.28Å; H898-A972 PolarHBondContact NE2-O 2.86Å; H898-A972 VanDerWaalsContact NE2-O 3.17Å; H898-S977 CarbonylContact O-C 3.59Å; H898-S977 WeakPolarHBondContact O-CA 3.3Å; H898-S978 PolarHBondContact O-N 3.36Å; H898-S978 PolarHBondContact O-OG 2.73Å; H898-S978 VanDerWaalsContact O-OG 3.07Å |
| 899 | I | 94.7 | Very high | 81.4 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124.1 | 170.6 | -61.8 | 168.6 | 0 | 0 | 0 | 107.5 | C431 V901 F917 L921 K932 T933 L935 | C431-I899 HydrophobicContact CB-CD1 3.89Å; C431-I899 HydrophobicContact CB-CG1 4.41Å; C431-I899 HydrophobicContact CB-CG2 4.43Å; I899-V901 HydrophobicContact CG2-CG2 4.15Å; I899-F917 HydrophobicContact CG2-CZ 4.41Å; I899-L921 HydrophobicContact CD1-CD1 3.88Å; I899-L921 HydrophobicContact CD1-CD2 4.14Å; I899-K932 HydrophobicContact CD1-CB 4.16Å; I899-K932 HydrophobicContact CD1-CD 4.22Å; I899-K932 HydrophobicContact CG1-CB 4.22Å; I899-K932 HydrophobicContact CG1-CD 4.07Å; I899-T933 PolarHBondContact N-O 3.4Å; I899-L935 PolarHBondContact O-N 2.73Å |
| 900 | L | 95.5 | Very high | 83.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.5 | 175.4 | 178.4 | 63.6 | 0 | 0 | 0 | 109.5 | L935 L937 L969 A972 I974 V979 C980 V981 | L900-L935 HydrophobicContact CD1-CB 4.33Å; L900-L935 HydrophobicContact CD1-CD2 4.07Å; L900-L935 HydrophobicContact CD1-CG 4.15Å; L900-L937 HydrophobicContact CD1-CB 4.11Å; L900-L969 HydrophobicContact CD2-CD2 4.46Å; L900-A972 HydrophobicContact CD1-CB 3.86Å; L900-A972 HydrophobicContact CD2-CB 4.13Å; L900-I974 HydrophobicContact CD2-CB 3.96Å; L900-I974 HydrophobicContact CD2-CD1 3.85Å; L900-I974 HydrophobicContact CD2-CG1 3.64Å; L900-V979 PolarHBondContact N-O 2.9Å; L900-C980 HydrophobicContact CB-CB 4.42Å; L900-C980 CarbonylContact O-C 3.54Å; L900-C980 VanDerWaalsContact O-CA 3.26Å; L900-C980 WeakPolarHBondContact O-CA 3.27Å; L900-V981 PolarHBondContact O-N 3.42Å |
| 901 | V | 96.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 108.7 | 175.6 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | I899 I903 F917 I934 L935 F936 L937 V981 L983 | I899-V901 HydrophobicContact CG2-CG2 4.15Å; V901-I903 HydrophobicContact CG1-CG1 4.11Å; V901-F917 HydrophobicContact CG2-CD1 4.33Å; V901-F917 HydrophobicContact CG2-CE1 3.48Å; V901-F917 VanDerWaalsContact CG2-CE1 3.48Å; V901-F917 HydrophobicContact CG2-CZ 3.68Å; V901-I934 HydrophobicContact CG2-CG2 4.27Å; V901-L935 PolarHBondContact N-O 3.1Å; V901-F936 HydrophobicContact CB-CD1 3.6Å; V901-F936 HydrophobicContact CB-CE1 3.83Å; V901-F936 HydrophobicContact CG1-CD1 3.83Å; V901-F936 HydrophobicContact CG1-CE1 3.88Å; V901-F936 HydrophobicContact CG2-CD1 4.17Å; V901-F936 HydrophobicContact CG2-CE1 3.96Å; V901-F936 WeakPolarHBondContact O-CA 3.28Å; V901-L937 PolarHBondContact O-N 3.3Å; V901-V981 CarbonylContact C-O 3.59Å; V901-V981 WeakPolarHBondContact CA-O 3.33Å; V901-V981 HydrophobicContact CG1-CB 4.5Å; V901-L983 HydrophobicContact CG1-CD1 3.73Å; V901-L983 HydrophobicContact CG1-CG 4.2Å |
| 902 | C | 96.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 115.1 | 176.3 | -70.2 | 0 | 0 | 0 | 0 | 109.8 | P963 V981 I982 L983 | C902-P963 HydrophobicContact CB-CB 3.73Å; C902-P963 HydrophobicContact CB-CG 3.87Å; C902-V981 PolarHBondContact N-O 3.39Å; C902-I982 HydrophobicContact CB-CG1 4.34Å; C902-L983 PolarHBondContact O-N 3.11Å |
| 903 | I | 95.2 | Very high | 87.7 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 115.3 | -180 | -59.6 | 178.7 | 0 | 0 | 0 | 108.9 | V901 A905 L912 L914 F936 L937 F942 L943 | V901-I903 HydrophobicContact CG1-CG1 4.11Å; I903-A905 HydrophobicContact CG2-CB 3.86Å; I903-L912 HydrophobicContact CG2-CD1 3.91Å; I903-L914 HydrophobicContact CD1-CD1 3.69Å; I903-L914 HydrophobicContact CD1-CD2 3.89Å; I903-L914 HydrophobicContact CD1-CG 4.4Å; I903-F936 HydrophobicContact CD1-CD1 3.79Å; I903-F936 HydrophobicContact CD1-CE1 4.46Å; I903-L937 PolarHBondContact N-O 3.05Å; I903-F942 HydrophobicContact CG2-CD1 3.9Å; I903-F942 HydrophobicContact CG2-CE1 3.7Å; I903-L943 HydrophobicContact CD1-CD2 3.92Å |
| 904 | L | 93.1 | Very high | 88.9 | Confident | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 90.4 | 173.1 | -66.1 | 159.9 | 0 | 0 | 0 | 107.9 | P963 L964 I982 L983 S985 E1000 V1001 C1004 | L904-P963 HydrophobicContact CD2-CB 4.01Å; L904-P963 HydrophobicContact CD2-CG 4.02Å; L904-P963 HydrophobicContact CG-CB 4.39Å; L904-P963 HydrophobicContact CG-CG 4.28Å; L904-L964 HydrophobicContact CD2-CD1 4.38Å; L904-L964 HydrophobicContact CD2-CD2 4.44Å; L904-L964 HydrophobicContact CD2-CG 3.97Å; L904-I982 HydrophobicContact CD1-CG2 3.93Å; L904-L983 PolarHBondContact N-O 3.48Å; L904-S985 PolarHBondContact O-N 3.43Å; L904-E1000 HydrophobicContact CD1-CB 4.13Å; L904-V1001 HydrophobicContact CD1-CG2 4.18Å; L904-C1004 HydrophobicContact CD1-CB 3.91Å |
| 905 | A | 89.5 | Confident | 89.6 | Confident | 20 Ų | 20 | 25.8 Ų | 25.8 | 17% | 0.165 | 14% | 0.135 | C | C | . | . | trans | -138.9 | 142.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I903 A909 F942 | I903-A905 HydrophobicContact CG2-CB 3.86Å; A905-A909 HydrophobicContact CB-CB 4.19Å; A905-F942 HydrophobicContact CB-CD1 3.99Å; A905-F942 HydrophobicContact CB-CD2 3.69Å; A905-F942 HydrophobicContact CB-CE1 4.12Å; A905-F942 HydrophobicContact CB-CE2 3.83Å; A905-F942 HydrophobicContact CB-CG 3.79Å; A905-F942 HydrophobicContact CB-CZ 4.05Å | ||
| 906 | E | 87.5 | Confident | 90.1 | Very high | 68 Ų | 68 | 26.1 Ų | 26.1 | 32% | 0.318 | 14% | 0.138 | S | C | . | . | trans | -70.8 | 154.4 | 167.1 | -68.5 | 176.8 | 178.3 | 0 | 0 | 110.2 | D908 A909 G987 T988 | E906-D908 PolarHBondContact O-N 2.76Å; E906-D908 VanDerWaalsContact O-N 3.13Å; E906-A909 HydrophobicContact CB-CB 4.39Å; E906-A909 WeakPolarHBondContact O-CB 3.2Å; E906-A909 PolarHBondContact O-N 2.97Å; E906-G987 WeakPolarHBondContact OE2-CA 3.44Å; E906-T988 PolarHBondContact OE2-N 2.94Å; E906-T988 PolarHBondContact OE2-OG1 3.41Å | ||
| 907 | P | 87.2 | Confident | 90.7 | Very high | 42 Ų | 42 | 22 Ų | 22 | 27% | 0.273 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -34.7 | 178.4 | -30 | 36.4 | 0 | 0 | 0 | 114.9 | K941 R945 | P907-K941 HydrophobicContact CB-CB 4.03Å; P907-K941 HydrophobicContact CB-CD 3.96Å; P907-K941 HydrophobicContact CG-CD 4.36Å; P907-R945 PolarHBondContact O-NH1 2.9Å |
| 908 | D | 86.5 | Confident | 91 | Very high | 131 Ų | 131 | 18.3 Ų | 18.3 | 70% | 0.701 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 7.9 | -177.1 | -56.3 | -33.9 | 0 | 0 | 0 | 112.9 | E906 | E906-D908 PolarHBondContact O-N 2.76Å; E906-D908 VanDerWaalsContact O-N 3.13Å |
| 909 | A | 86.8 | Confident | 91 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -61.2 | 153.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A905 E906 F942 R945 | A905-A909 HydrophobicContact CB-CB 4.19Å; E906-A909 HydrophobicContact CB-CB 4.39Å; E906-A909 WeakPolarHBondContact O-CB 3.2Å; E906-A909 PolarHBondContact O-N 2.97Å; A909-F942 HydrophobicContact CB-CD2 4.28Å; A909-F942 HydrophobicContact CB-CE2 4.15Å; A909-R945 PolarHBondContact O-NH1 2.88Å; A909-R945 PolarHBondContact O-NH2 2.91Å |
| 910 | P | 86.5 | Confident | 90.8 | Very high | 31 Ų | 31 | 19 Ų | 19 | 20% | 0.201 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 150.8 | 172.8 | 27.1 | -34.5 | 0 | 0 | 0 | 110.5 | P366 Y367 R986 | P366-P910 HydrophobicContact CG-CB 3.67Å; P366-P910 HydrophobicContact CG-CG 4.04Å; Y367-P910 HydrophobicContact CE2-CB 3.94Å; P910-R986 WeakPolarHBondContact CD-O 3.47Å |
| 911 | L | 88.5 | Confident | 90.7 | Very high | 20 Ų | 20 | 19.4 Ų | 19.4 | 11% | 0.105 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 144.4 | 176.2 | -60.2 | 177.5 | 0 | 0 | 0 | 109.7 | Y367 Q395 E397 R945 E946 | Y367-L911 WeakPolarHBondContact OH-CB 3.02Å; Y367-L911 WeakPolarHBondContact OH-CG 3.46Å; Q395-L911 PolarHBondContact NE2-O 2.95Å; Q395-L911 PolarHBondContact OE1-O 2.77Å; Q395-L911 VanDerWaalsContact OE1-O 3.11Å; E397-L911 VanDerWaalsContact OE1-CD1 3.28Å; E397-L911 WeakPolarHBondContact OE1-CD1 3.33Å; L911-R945 HydrophobicContact CD2-CB 4.02Å; L911-E946 VanDerWaalsContact CA-OE1 3.24Å; L911-E946 WeakPolarHBondContact CA-OE1 3.41Å; L911-E946 VanDerWaalsContact CB-OE1 3.26Å; L911-E946 WeakPolarHBondContact CB-OE1 3.3Å; L911-E946 HydrophobicContact CD2-CG 4Å |
| 912 | L | 87.9 | Confident | 90.4 | Very high | 11 Ų | 11 | 19.5 Ų | 19.5 | 6% | 0.058 | 11% | 0.108 | C | C | . | . | trans | -86.2 | -28.5 | 171.9 | -69.6 | 173.8 | 0 | 0 | 0 | 111.1 | L424 I903 L914 F942 E946 L983 | L424-L912 VanDerWaalsContact CD1-O 3.3Å; L424-L912 WeakPolarHBondContact CD1-O 3.29Å; I903-L912 HydrophobicContact CG2-CD1 3.91Å; L912-L914 HydrophobicContact CB-CD2 4.29Å; L912-L914 HydrophobicContact CD1-CD2 4.42Å; L912-F942 HydrophobicContact CD1-CE1 4.14Å; L912-F942 HydrophobicContact CD1-CZ 4.05Å; L912-F942 HydrophobicContact CG-CE1 4.48Å; L912-F942 HydrophobicContact CG-CZ 3.93Å; L912-E946 PolarHBondContact N-OE1 2.99Å; L912-L983 HydrophobicContact CD1-CB 4.42Å; L912-L983 HydrophobicContact CD1-CD1 4.4Å | ||
| 913 | G | 88.7 | Confident | 90 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | trans | 82.6 | 53.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L424 H915 S916 E946 | L424-G913 WeakPolarHBondContact CD1-O 3.46Å; G913-H915 PolarHBondContact O-N 3.17Å; G913-S916 WeakPolarHBondContact O-CB 3.39Å; G913-S916 PolarHBondContact O-N 2.72Å; G913-E946 PolarHBondContact N-OE1 3.43Å | ||
| 914 | L | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -21.8 | -171.9 | -66.2 | -177.6 | 0 | 0 | 0 | 114.3 | I903 L912 S916 F917 V918 F936 E946 I950 L983 | I903-L914 HydrophobicContact CD1-CD1 3.69Å; I903-L914 HydrophobicContact CD1-CD2 3.89Å; I903-L914 HydrophobicContact CD1-CG 4.4Å; L912-L914 HydrophobicContact CB-CD2 4.29Å; L912-L914 HydrophobicContact CD1-CD2 4.42Å; L914-S916 PolarHBondContact O-N 3.02Å; L914-F917 WeakPolarHBondContact O-CB 3.44Å; L914-F917 PolarHBondContact O-N 2.71Å; L914-V918 PolarHBondContact O-N 3.28Å; L914-V918 VanDerWaalsContact O-N 3.09Å; L914-F936 HydrophobicContact CB-CZ 4.44Å; L914-F936 HydrophobicContact CD1-CD1 4.08Å; L914-F936 HydrophobicContact CD1-CE1 3.92Å; L914-F936 HydrophobicContact CD1-CZ 4.21Å; L914-F936 HydrophobicContact CD2-CE1 4.02Å; L914-F936 HydrophobicContact CG-CE1 4.42Å; L914-E946 HydrophobicContact CD1-CB 3.89Å; L914-E946 HydrophobicContact CD1-CG 4.06Å; L914-E946 HydrophobicContact CG-CB 4.33Å; L914-E946 HydrophobicContact CG-CG 4.16Å; L914-E946 PolarHBondContact N-OE2 3.2Å; L914-I950 HydrophobicContact CB-CG2 4.09Å; L914-L983 HydrophobicContact CD2-CD1 4.45Å |
| 915 | H | 89.6 | Confident | 89.2 | Confident | 35 Ų | 35 | 19.5 Ų | 19.5 | 16% | 0.162 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -55.6 | -36.1 | 173.2 | 76.5 | -87.8 | 0 | 0 | 0 | 112.3 | T396 G913 F917 V918 M919 N949 I950 | T396-H915 WeakPolarHBondContact CG2-NE2 3.45Å; G913-H915 PolarHBondContact O-N 3.17Å; H915-F917 PolarHBondContact O-N 2.7Å; H915-V918 PolarHBondContact O-N 3.06Å; H915-M919 WeakPolarHBondContact O-CB 3.39Å; H915-M919 PolarHBondContact O-N 2.93Å; H915-N949 HydrophobicContact CB-CB 4.21Å; H915-N949 WeakPolarHBondContact CB-O 3.25Å; H915-I950 HydrophobicContact CB-CG2 4.3Å |
| 916 | S | 90.8 | Very high | 89 | Confident | 10 Ų | 10 | 19.7 Ų | 19.7 | 7% | 0.07 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.2 | -21.8 | 178.3 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | T396 G913 L914 P920 | T396-S916 PolarHBondContact OG1-OG 3.42Å; G913-S916 WeakPolarHBondContact O-CB 3.39Å; G913-S916 PolarHBondContact O-N 2.72Å; L914-S916 PolarHBondContact O-N 3.02Å; S916-P920 VanDerWaalsContact O-CD 3.26Å; S916-P920 WeakPolarHBondContact O-CD 3.33Å |
| 917 | F | 93.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -84.1 | -40.3 | 172.7 | -176.3 | -93.5 | 0 | 0 | 0 | 112.1 | L424 L427 A428 I899 V901 L914 H915 L921 F936 V981 | L424-F917 HydrophobicContact CB-CB 4.03Å; L424-F917 HydrophobicContact CD1-CB 4.44Å; L424-F917 HydrophobicContact CD2-CB 4.39Å; L424-F917 HydrophobicContact CD2-CD2 4.48Å; L427-F917 HydrophobicContact CB-CD2 4.33Å; L427-F917 HydrophobicContact CB-CE2 4.07Å; A428-F917 HydrophobicContact CB-CD2 3.94Å; A428-F917 HydrophobicContact CB-CE2 4.17Å; A428-F917 HydrophobicContact CB-CG 4.37Å; A428-F917 VanDerWaalsContact CB-O 3.3Å; A428-F917 WeakPolarHBondContact CB-O 3.45Å; I899-F917 HydrophobicContact CG2-CZ 4.41Å; V901-F917 HydrophobicContact CG2-CD1 4.33Å; V901-F917 HydrophobicContact CG2-CE1 3.48Å; V901-F917 VanDerWaalsContact CG2-CE1 3.48Å; V901-F917 HydrophobicContact CG2-CZ 3.68Å; L914-F917 WeakPolarHBondContact O-CB 3.44Å; L914-F917 PolarHBondContact O-N 2.71Å; H915-F917 PolarHBondContact O-N 2.7Å; F917-L921 HydrophobicContact CD1-CD1 4.05Å; F917-L921 HydrophobicContact CE1-CD1 3.58Å; F917-L921 HydrophobicContact CZ-CD1 4.05Å; F917-F936 HydrophobicContact CD1-CE1 4.47Å; F917-F936 HydrophobicContact CD1-CZ 4.41Å; F917-V981 HydrophobicContact CE2-CG1 4.49Å; F917-V981 HydrophobicContact CE2-CG2 4.28Å; F917-V981 HydrophobicContact CZ-CG2 4.12Å |
| 918 | V | 93.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -76.6 | -38.2 | -175.2 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | L914 H915 L921 R922 I934 F936 I950 F953 V956 | L914-V918 PolarHBondContact O-N 3.28Å; L914-V918 VanDerWaalsContact O-N 3.09Å; H915-V918 PolarHBondContact O-N 3.06Å; V918-L921 CarbonylContact O-C 3.6Å; V918-L921 WeakPolarHBondContact O-CB 3.45Å; V918-L921 PolarHBondContact O-N 3.29Å; V918-L921 VanDerWaalsContact O-N 3.07Å; V918-R922 HydrophobicContact CG1-CG 3.82Å; V918-R922 WeakPolarHBondContact O-CG 3.35Å; V918-R922 PolarHBondContact O-N 3.25Å; V918-R922 VanDerWaalsContact O-N 3.16Å; V918-I934 HydrophobicContact CG1-CD1 4.23Å; V918-I934 HydrophobicContact CG2-CD1 4.31Å; V918-F936 HydrophobicContact CG2-CE2 4.1Å; V918-F936 HydrophobicContact CG2-CZ 3.76Å; V918-I950 HydrophobicContact CB-CG2 4.49Å; V918-I950 HydrophobicContact CG2-CG2 4.02Å; V918-F953 HydrophobicContact CB-CD2 4.18Å; V918-F953 HydrophobicContact CB-CE2 4.37Å; V918-F953 HydrophobicContact CG1-CB 3.74Å; V918-F953 HydrophobicContact CG1-CD1 4.12Å; V918-F953 HydrophobicContact CG1-CD2 3.53Å; V918-F953 HydrophobicContact CG1-CE2 4.1Å; V918-F953 HydrophobicContact CG1-CG 3.53Å; V918-V956 HydrophobicContact CG1-CG2 4.1Å |
| 919 | M | 89.8 | Confident | 88.4 | Confident | 15 Ų | 15 | 16.8 Ų | 16.8 | 7% | 0.074 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -49.2 | -174 | -178.5 | -178.5 | -65.7 | 0 | 0 | 113.1 | Y870 H915 L921 R922 A923 F953 V1104 L1112 | Y870-M919 HydrophobicContact CD1-CG 3.69Å; Y870-M919 WeakPolarHBondContact CD1-O 3.5Å; Y870-M919 HydrophobicContact CD2-CG 4.18Å; Y870-M919 HydrophobicContact CE1-CB 4.38Å; Y870-M919 HydrophobicContact CE1-CG 3.26Å; Y870-M919 WeakPolarHBondContact CE1-O 3.19Å; Y870-M919 HydrophobicContact CE1-SD 4.34Å; Y870-M919 HydrophobicContact CE2-CG 3.77Å; Y870-M919 HydrophobicContact CE2-SD 3.9Å; Y870-M919 HydrophobicContact CG-CG 4.15Å; H915-M919 WeakPolarHBondContact O-CB 3.39Å; H915-M919 PolarHBondContact O-N 2.93Å; M919-L921 VanDerWaalsContact C-N 3.28Å; M919-L921 PolarHBondContact O-N 3.37Å; M919-R922 CarbonylContact O-C 3.58Å; M919-R922 PolarHBondContact O-N 3.45Å; M919-A923 PolarHBondContact O-N 2.84Å; M919-F953 HydrophobicContact CB-CZ 4.19Å; M919-V1104 HydrophobicContact SD-CG2 3.67Å; M919-L1112 HydrophobicContact CE-CD1 4.08Å |
| 920 | P | 90.8 | Very high | 88.3 | Confident | 3 Ų | 3 | 20.4 Ų | 20.4 | 2% | 0.019 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -63.2 | -31.7 | 176.7 | -19.1 | 30.8 | 0 | 0 | 0 | 113.6 | A428 S916 R922 | A428-P920 HydrophobicContact CB-CB 4.24Å; A428-P920 HydrophobicContact CB-CG 4.16Å; S916-P920 VanDerWaalsContact O-CD 3.26Å; S916-P920 WeakPolarHBondContact O-CD 3.33Å; P920-R922 PolarHBondContact O-N 3.46Å |
| 921 | L | 92.8 | Very high | 88.4 | Confident | 10 Ų | 10 | 19.4 Ų | 19.4 | 5% | 0.052 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -78.1 | -4.5 | 177.9 | -62.9 | 176 | 0 | 0 | 0 | 113.5 | A428 C431 I432 I899 F917 V918 M919 I934 | A428-L921 HydrophobicContact CB-CD1 4.44Å; A428-L921 HydrophobicContact CB-CG 4.13Å; A428-L921 WeakPolarHBondContact O-CD2 3.39Å; C431-L921 HydrophobicContact CB-CD2 4.37Å; I432-L921 HydrophobicContact CD1-CD2 3.82Å; I432-L921 HydrophobicContact CG1-CD2 3.72Å; I899-L921 HydrophobicContact CD1-CD1 3.88Å; I899-L921 HydrophobicContact CD1-CD2 4.14Å; F917-L921 HydrophobicContact CD1-CD1 4.05Å; F917-L921 HydrophobicContact CE1-CD1 3.58Å; F917-L921 HydrophobicContact CZ-CD1 4.05Å; V918-L921 CarbonylContact O-C 3.6Å; V918-L921 WeakPolarHBondContact O-CB 3.45Å; V918-L921 PolarHBondContact O-N 3.29Å; V918-L921 VanDerWaalsContact O-N 3.07Å; M919-L921 VanDerWaalsContact C-N 3.28Å; M919-L921 PolarHBondContact O-N 3.37Å; L921-I934 HydrophobicContact CB-CD1 4.06Å; L921-I934 HydrophobicContact CD1-CD1 3.64Å; L921-I934 HydrophobicContact CD1-CG1 4.24Å |
| 922 | R | 91.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -122.3 | 16.1 | 178.4 | -63.7 | -64.5 | 178.7 | -93.8 | 4.2 | 112.2 | Y870 Y871 V918 M919 P920 K932 F953 P954 K955 | Y870-R922 WeakPolarHBondContact CA-O 3.37Å; Y871-R922 PolarHBondContact N-O 3.5Å; V918-R922 HydrophobicContact CG1-CG 3.82Å; V918-R922 WeakPolarHBondContact O-CG 3.35Å; V918-R922 PolarHBondContact O-N 3.25Å; V918-R922 VanDerWaalsContact O-N 3.16Å; M919-R922 CarbonylContact O-C 3.58Å; M919-R922 PolarHBondContact O-N 3.45Å; P920-R922 PolarHBondContact O-N 3.46Å; R922-K932 PolarHBondContact NH1-O 2.69Å; R922-K932 VanDerWaalsContact NH1-O 3.17Å; R922-K932 PolarHBondContact NH2-O 2.99Å; R922-K932 VanDerWaalsContact NH2-O 3.07Å; R922-F953 HydrophobicContact CB-CD1 3.84Å; R922-F953 HydrophobicContact CB-CE1 4.17Å; R922-F953 HydrophobicContact CG-CB 4.32Å; R922-F953 HydrophobicContact CG-CD1 3.84Å; R922-F953 HydrophobicContact CG-CG 4.32Å; R922-P954 PolarHBondContact NE-O 2.63Å; R922-P954 PolarHBondContact NH2-O 3.41Å; R922-P954 VanDerWaalsContact NH2-O 3.12Å; R922-K955 PolarHBondContact NH2-O 3.18Å |
| 923 | A | 88.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -60.6 | 143.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y870 M919 N925 F926 | Y870-A923 HydrophobicContact CD1-CB 4.3Å; Y870-A923 HydrophobicContact CE1-CB 4.15Å; M919-A923 PolarHBondContact O-N 2.84Å; A923-N925 WeakPolarHBondContact CB-OD1 3.44Å; A923-N925 PolarHBondContact O-N 3.3Å; A923-F926 HydrophobicContact CB-CD2 4.31Å; A923-F926 HydrophobicContact CB-CE2 4.42Å; A923-F926 PolarHBondContact O-N 2.79Å |
| 924 | S | 85.5 | Confident | 89 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -5.9 | -175.5 | 63.2 | 0 | 0 | 0 | 0 | 114.5 | G868 M869 F926 R1153 | G868-S924 VanDerWaalsContact O-CB 3.31Å; G868-S924 WeakPolarHBondContact O-CB 3.26Å; G868-S924 PolarHBondContact O-OG 3.48Å; M869-S924 WeakPolarHBondContact O-CB 3.32Å; M869-S924 PolarHBondContact O-N 3.05Å; M869-S924 PolarHBondContact O-OG 2.75Å; M869-S924 VanDerWaalsContact O-OG 3.05Å; S924-F926 VanDerWaalsContact C-N 3.27Å; S924-R1153 PolarHBondContact O-NE 2.81Å; S924-R1153 PolarHBondContact O-NH2 3.4Å |
| 925 | N | 84.6 | Confident | 89.1 | Confident | 10 Ų | 10 | 21.4 Ų | 21.4 | 5% | 0.053 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -8.3 | 172.1 | 64.1 | -14.8 | 0 | 0 | 0 | 113.1 | A923 P1156 F1344 | A923-N925 WeakPolarHBondContact CB-OD1 3.44Å; A923-N925 PolarHBondContact O-N 3.3Å; N925-P1156 PolarHBondContact ND2-O 3.31Å; N925-F1344 HydrophobicContact CB-CD2 4.48Å; N925-F1344 WeakPolarHBondContact O-CD2 3.48Å; N925-F1344 WeakPolarHBondContact O-CE2 3.24Å |
| 926 | F | 86.4 | Confident | 89.4 | Confident | 24 Ų | 24 | 19.8 Ų | 19.8 | 11% | 0.105 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -90.8 | 149.3 | 165.8 | -64.8 | -73.5 | 0 | 0 | 0 | 110.7 | I432 Y871 A923 S924 L931 R1157 | I432-F926 HydrophobicContact CD1-CE2 4.05Å; I432-F926 HydrophobicContact CD1-CZ 3.62Å; I432-F926 HydrophobicContact CG1-CZ 4.27Å; I432-F926 HydrophobicContact CG2-CE1 4.49Å; I432-F926 HydrophobicContact CG2-CZ 4.36Å; Y871-F926 VanDerWaalsContact CE2-O 3.32Å; Y871-F926 WeakPolarHBondContact CE2-O 3.15Å; Y871-F926 PolarHBondContact OH-O 2.72Å; A923-F926 HydrophobicContact CB-CD2 4.31Å; A923-F926 HydrophobicContact CB-CE2 4.42Å; A923-F926 PolarHBondContact O-N 2.79Å; S924-F926 VanDerWaalsContact C-N 3.27Å; F926-L931 HydrophobicContact CB-CD2 3.87Å; F926-R1157 HydrophobicContact CE1-CB 4.47Å |
| 927 | H | 84.2 | Confident | 89.6 | Confident | 12 Ų | 12 | 19.3 Ų | 19.3 | 6% | 0.056 | 10% | 0.098 | C | C | . | . | trans | -80.9 | 152.9 | 169.5 | -68.4 | -54.6 | 0 | 0 | 0 | 110.9 | N929 Q930 L931 F1344 E1345 E1347 | H927-N929 WeakPolarHBondContact CB-OD1 2.92Å; H927-N929 PolarHBondContact O-N 2.73Å; H927-N929 VanDerWaalsContact O-N 3.09Å; H927-Q930 HydrophobicContact CB-CG 4.23Å; H927-Q930 WeakPolarHBondContact O-CB 3.31Å; H927-Q930 PolarHBondContact O-N 3.06Å; H927-L931 PolarHBondContact O-N 2.82Å; H927-F1344 AromaticContact CE1-CE2 3.67Å; H927-F1344 AromaticContact CE1-CZ 3.39Å; H927-F1344 WeakPolarHBondContact CE1-CZ 3.39Å; H927-F1344 AromaticContact ND1-CZ 3.97Å; H927-E1345 PolarHBondContact CE1-O 3.02Å; H927-E1345 PolarHBondContact NE2-O 3.42Å; H927-E1347 IonicContact ND1-OE1 3.25Å | ||
| 928 | P | 82.1 | Confident | 89.6 | Confident | 39 Ų | 39 | 19.3 Ų | 19.3 | 25% | 0.253 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -30.4 | -176.8 | -27.1 | 35.8 | 0 | 0 | 0 | 114.8 | Y862 Y871 K955 | Y862-P928 HydrophobicContact CD2-CB 3.92Å; Y862-P928 HydrophobicContact CD2-CG 4.49Å; Y862-P928 HydrophobicContact CE2-CB 4.07Å; Y871-P928 HydrophobicContact CE1-CG 4.25Å; Y871-P928 WeakPolarHBondContact OH-CD 3.22Å; P928-K955 PolarHBondContact O-NZ 3.03Å; P928-K955 VanDerWaalsContact O-NZ 3.12Å |
| 929 | N | 82.7 | Confident | 89.6 | Confident | 129 Ų | 129 | 22.1 Ų | 22.1 | 69% | 0.69 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -21.7 | 176.3 | 57.3 | 1.4 | 0 | 0 | 0 | 113.3 | H927 | H927-N929 WeakPolarHBondContact CB-OD1 2.92Å; H927-N929 PolarHBondContact O-N 2.73Å; H927-N929 VanDerWaalsContact O-N 3.09Å |
| 930 | Q | 84.3 | Confident | 89.7 | Confident | 76 Ų | 76 | 24.3 Ų | 24.3 | 36% | 0.355 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -17.6 | 177 | -65.2 | 175.3 | -16 | 0 | 0 | 112.6 | H927 K932 | H927-Q930 HydrophobicContact CB-CG 4.23Å; H927-Q930 WeakPolarHBondContact O-CB 3.31Å; H927-Q930 PolarHBondContact O-N 3.06Å; Q930-K932 PolarHBondContact O-N 2.82Å; Q930-K932 VanDerWaalsContact O-N 3.11Å |
| 931 | L | 88.3 | Confident | 89.8 | Confident | 10 Ų | 10 | 30.3 Ų | 30.3 | 5% | 0.052 | 15% | 0.15 | C | C | . | . | trans | -64.9 | 111.7 | 178.7 | -61.6 | 179.4 | 0 | 0 | 0 | 111.1 | Y871 F926 H927 K955 | Y871-L931 HydrophobicContact CD2-CD1 3.73Å; Y871-L931 HydrophobicContact CD2-CD2 4.17Å; Y871-L931 HydrophobicContact CD2-CG 4.46Å; Y871-L931 HydrophobicContact CE2-CD1 3.98Å; Y871-L931 HydrophobicContact CE2-CD2 4.28Å; Y871-L931 HydrophobicContact CE2-CG 4.44Å; Y871-L931 HydrophobicContact CG-CD1 4.1Å; F926-L931 HydrophobicContact CB-CD2 3.87Å; H927-L931 PolarHBondContact O-N 2.82Å; L931-K955 HydrophobicContact CB-CD 4.26Å; L931-K955 PolarHBondContact O-NZ 3.46Å | ||
| 932 | K | 90.3 | Very high | 89.8 | Confident | 64 Ų | 64 | 29.8 Ų | 29.8 | 28% | 0.278 | 15% | 0.148 | S | C | . | . | trans | -75.8 | 140.3 | 172.4 | -63.3 | -179.3 | -176.4 | 171.8 | 0 | 111.1 | I899 R922 Q930 S978 | I899-K932 HydrophobicContact CD1-CB 4.16Å; I899-K932 HydrophobicContact CD1-CD 4.22Å; I899-K932 HydrophobicContact CG1-CB 4.22Å; I899-K932 HydrophobicContact CG1-CD 4.07Å; R922-K932 PolarHBondContact NH1-O 2.69Å; R922-K932 VanDerWaalsContact NH1-O 3.17Å; R922-K932 PolarHBondContact NH2-O 2.99Å; R922-K932 VanDerWaalsContact NH2-O 3.07Å; Q930-K932 PolarHBondContact O-N 2.82Å; Q930-K932 VanDerWaalsContact O-N 3.11Å; K932-S978 PolarHBondContact NZ-OG 3.04Å | ||
| 933 | T | 92.5 | Very high | 89.9 | Confident | 10 Ų | 10 | 29.9 Ų | 29.9 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | trans | -62.8 | 135 | 170.2 | -53 | 0 | 0 | 0 | 0 | 110.4 | D894 H898 I899 Y957 | D894-T933 HydrophobicContact CB-CG2 4.34Å; D894-T933 WeakPolarHBondContact O-CB 3.45Å; D894-T933 PolarHBondContact O-OG1 3.13Å; H898-T933 CarbonylContact C-O 3.55Å; H898-T933 WeakPolarHBondContact CA-O 3.29Å; H898-T933 WeakPolarHBondContact CB-O 3.31Å; I899-T933 PolarHBondContact N-O 3.4Å; T933-Y957 HydrophobicContact CG2-CD2 3.38Å; T933-Y957 HydrophobicContact CG2-CE2 3.54Å | ||
| 934 | I | 95 | Very high | 90.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.8 | 175.5 | -59.7 | 168.5 | 0 | 0 | 0 | 108 | V901 V918 L921 F936 K955 Y957 | V901-I934 HydrophobicContact CG2-CG2 4.27Å; V918-I934 HydrophobicContact CG1-CD1 4.23Å; V918-I934 HydrophobicContact CG2-CD1 4.31Å; L921-I934 HydrophobicContact CB-CD1 4.06Å; L921-I934 HydrophobicContact CD1-CD1 3.64Å; L921-I934 HydrophobicContact CD1-CG1 4.24Å; I934-F936 HydrophobicContact CG2-CD2 4.24Å; I934-F936 HydrophobicContact CG2-CE1 4.32Å; I934-F936 HydrophobicContact CG2-CE2 3.78Å; I934-F936 HydrophobicContact CG2-CZ 3.82Å; I934-K955 PolarHBondContact N-O 2.89Å; I934-Y957 PolarHBondContact O-N 3.48Å |
| 935 | L | 94.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 116.4 | 176.1 | -178.5 | 62.8 | 0 | 0 | 0 | 109.8 | I883 L895 I899 L900 V901 Y957 L959 A972 | I883-L935 HydrophobicContact CD1-CD1 3.68Å; I883-L935 HydrophobicContact CG1-CD1 4.39Å; L895-L935 HydrophobicContact CD2-CD2 4.06Å; I899-L935 PolarHBondContact O-N 2.73Å; L900-L935 HydrophobicContact CD1-CB 4.33Å; L900-L935 HydrophobicContact CD1-CD2 4.07Å; L900-L935 HydrophobicContact CD1-CG 4.15Å; V901-L935 PolarHBondContact N-O 3.1Å; L935-Y957 WeakPolarHBondContact CA-O 3.32Å; L935-L959 HydrophobicContact CD1-CB 4Å; L935-L959 HydrophobicContact CG-CB 4.45Å; L935-A972 HydrophobicContact CD2-CB 3.98Å |
| 936 | F | 95.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125.7 | 173.1 | -67 | -73.8 | 0 | 0 | 0 | 110.7 | V901 I903 L914 F917 V918 I934 L943 I950 V956 Y957 T958 L959 | V901-F936 HydrophobicContact CB-CD1 3.6Å; V901-F936 HydrophobicContact CB-CE1 3.83Å; V901-F936 HydrophobicContact CG1-CD1 3.83Å; V901-F936 HydrophobicContact CG1-CE1 3.88Å; V901-F936 HydrophobicContact CG2-CD1 4.17Å; V901-F936 HydrophobicContact CG2-CE1 3.96Å; V901-F936 WeakPolarHBondContact O-CA 3.28Å; I903-F936 HydrophobicContact CD1-CD1 3.79Å; I903-F936 HydrophobicContact CD1-CE1 4.46Å; L914-F936 HydrophobicContact CB-CZ 4.44Å; L914-F936 HydrophobicContact CD1-CD1 4.08Å; L914-F936 HydrophobicContact CD1-CE1 3.92Å; L914-F936 HydrophobicContact CD1-CZ 4.21Å; L914-F936 HydrophobicContact CD2-CE1 4.02Å; L914-F936 HydrophobicContact CG-CE1 4.42Å; F917-F936 HydrophobicContact CD1-CE1 4.47Å; F917-F936 HydrophobicContact CD1-CZ 4.41Å; V918-F936 HydrophobicContact CG2-CE2 4.1Å; V918-F936 HydrophobicContact CG2-CZ 3.76Å; I934-F936 HydrophobicContact CG2-CD2 4.24Å; I934-F936 HydrophobicContact CG2-CE1 4.32Å; I934-F936 HydrophobicContact CG2-CE2 3.78Å; I934-F936 HydrophobicContact CG2-CZ 3.82Å; F936-L943 HydrophobicContact CB-CD2 3.9Å; F936-I950 HydrophobicContact CD2-CD1 4.2Å; F936-I950 HydrophobicContact CE2-CD1 3.82Å; F936-V956 HydrophobicContact CD2-CG1 3.94Å; F936-V956 HydrophobicContact CE2-CG1 3.63Å; F936-Y957 PolarHBondContact N-O 3.38Å; F936-T958 HydrophobicContact CB-CG2 4.33Å; F936-T958 CarbonylContact O-C 3.36Å; F936-T958 WeakPolarHBondContact O-CA 3.49Å; F936-L959 PolarHBondContact O-N 3.09Å |
| 937 | L | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 118.8 | 174.8 | 171.7 | 63.2 | 0 | 0 | 0 | 109.5 | L900 V901 I903 L959 P963 D968 L969 | L900-L937 HydrophobicContact CD1-CB 4.11Å; V901-L937 PolarHBondContact O-N 3.3Å; I903-L937 PolarHBondContact N-O 3.05Å; L937-L959 WeakPolarHBondContact CA-O 3.31Å; L937-L959 HydrophobicContact CD1-CB 4.28Å; L937-L959 HydrophobicContact CD1-CD2 3.94Å; L937-L959 HydrophobicContact CD1-CG 3.89Å; L937-L959 WeakPolarHBondContact CD1-O 3.25Å; L937-P963 HydrophobicContact CD2-CB 4.37Å; L937-P963 HydrophobicContact CD2-CG 4.35Å; L937-P963 HydrophobicContact CG-CG 4.13Å; L937-D968 HydrophobicContact CD1-CB 4.1Å; L937-L969 HydrophobicContact CD2-CD2 3.77Å; L937-L969 HydrophobicContact CD2-CG 4.47Å |
| 938 | G | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.7 | -171.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L959 G961 | G938-L959 PolarHBondContact N-O 3.22Å; G938-G961 CarbonylContact C-O 3.59Å; G938-G961 VanDerWaalsContact CA-O 3.29Å; G938-G961 WeakPolarHBondContact CA-O 3.28Å; G938-G961 PolarHBondContact O-N 3.37Å |
| 939 | D | 93 | Very high | 91.3 | Very high | 59 Ų | 59 | 40.5 Ų | 40.5 | 32% | 0.316 | 20% | 0.198 | S | C | . | . | trans | -65 | 135.7 | 176.4 | -173.2 | -87.4 | 0 | 0 | 0 | 111.3 | K941 F942 L943 | D939-K941 VanDerWaalsContact C-N 3.34Å; D939-K941 PolarHBondContact O-N 3.05Å; D939-K941 WeakPolarHBondContact OD1-CB 3.43Å; D939-K941 PolarHBondContact OD1-N 3.47Å; D939-F942 HydrophobicContact CB-CB 4.3Å; D939-F942 PolarHBondContact O-N 2.68Å; D939-L943 WeakPolarHBondContact O-CG 3.32Å; D939-L943 PolarHBondContact O-N 3.35Å | ||
| 940 | I | 92.6 | Very high | 91.7 | Very high | 62 Ų | 62 | 34.5 Ų | 34.5 | 32% | 0.318 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -61.9 | -40 | -175.2 | -169.2 | 168.6 | 0 | 0 | 0 | 112.4 | F878 L882 L943 Q944 A960 | F878-I940 HydrophobicContact CE1-CD1 4.32Å; F878-I940 HydrophobicContact CE1-CG1 3.97Å; F878-I940 HydrophobicContact CZ-CG1 4.08Å; L882-I940 HydrophobicContact CD2-CD1 4.21Å; I940-L943 PolarHBondContact O-N 2.96Å; I940-Q944 HydrophobicContact CG1-CG 4.42Å; I940-Q944 WeakPolarHBondContact O-CB 3.28Å; I940-Q944 VanDerWaalsContact O-CG 3.26Å; I940-Q944 WeakPolarHBondContact O-CG 3.21Å; I940-Q944 PolarHBondContact O-N 2.6Å; I940-A960 HydrophobicContact CB-CB 4.08Å; I940-A960 HydrophobicContact CD1-CB 4.4Å; I940-A960 HydrophobicContact CG1-CB 4.44Å |
| 941 | K | 92.5 | Very high | 92 | Very high | 128 Ų | 128 | 30.9 Ų | 30.9 | 56% | 0.557 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -69 | -40.3 | -177.4 | -63.4 | -178.8 | 174.5 | -174 | 0 | 110.8 | P907 D939 R945 | P907-K941 HydrophobicContact CB-CB 4.03Å; P907-K941 HydrophobicContact CB-CD 3.96Å; P907-K941 HydrophobicContact CG-CD 4.36Å; D939-K941 VanDerWaalsContact C-N 3.34Å; D939-K941 PolarHBondContact O-N 3.05Å; D939-K941 WeakPolarHBondContact OD1-CB 3.43Å; D939-K941 PolarHBondContact OD1-N 3.47Å; K941-R945 WeakPolarHBondContact O-CG 3.37Å; K941-R945 PolarHBondContact O-N 3.49Å |
| 942 | F | 93 | Very high | 92 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64 | -46.7 | 175.8 | -176.7 | -91.8 | 0 | 0 | 0 | 111.2 | I903 A905 A909 L912 D939 Q944 R945 E946 | I903-F942 HydrophobicContact CG2-CD1 3.9Å; I903-F942 HydrophobicContact CG2-CE1 3.7Å; A905-F942 HydrophobicContact CB-CD1 3.99Å; A905-F942 HydrophobicContact CB-CD2 3.69Å; A905-F942 HydrophobicContact CB-CE1 4.12Å; A905-F942 HydrophobicContact CB-CE2 3.83Å; A905-F942 HydrophobicContact CB-CG 3.79Å; A905-F942 HydrophobicContact CB-CZ 4.05Å; A909-F942 HydrophobicContact CB-CD2 4.28Å; A909-F942 HydrophobicContact CB-CE2 4.15Å; L912-F942 HydrophobicContact CD1-CE1 4.14Å; L912-F942 HydrophobicContact CD1-CZ 4.05Å; L912-F942 HydrophobicContact CG-CE1 4.48Å; L912-F942 HydrophobicContact CG-CZ 3.93Å; D939-F942 HydrophobicContact CB-CB 4.3Å; D939-F942 PolarHBondContact O-N 2.68Å; F942-Q944 PolarHBondContact O-N 3.28Å; F942-R945 PolarHBondContact O-N 3.06Å; F942-E946 HydrophobicContact CE1-CG 3.94Å; F942-E946 HydrophobicContact CZ-CG 4.12Å; F942-E946 PolarHBondContact O-N 3.03Å |
| 943 | L | 92.8 | Very high | 92 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.8 | -37 | 179.8 | -69.6 | 173.6 | 0 | 0 | 0 | 112.9 | F878 I903 F936 D939 I940 R945 E946 W947 T958 | F878-L943 HydrophobicContact CE2-CB 4.08Å; F878-L943 HydrophobicContact CZ-CB 4.33Å; I903-L943 HydrophobicContact CD1-CD2 3.92Å; F936-L943 HydrophobicContact CB-CD2 3.9Å; D939-L943 WeakPolarHBondContact O-CG 3.32Å; D939-L943 PolarHBondContact O-N 3.35Å; I940-L943 PolarHBondContact O-N 2.96Å; L943-R945 VanDerWaalsContact C-N 3.32Å; L943-R945 PolarHBondContact O-N 3.01Å; L943-E946 PolarHBondContact O-N 2.98Å; L943-W947 WeakPolarHBondContact O-CB 3.5Å; L943-W947 PolarHBondContact O-N 3.39Å; L943-T958 HydrophobicContact CD1-CG2 4.48Å |
| 944 | Q | 93.4 | Very high | 91.8 | Very high | 86 Ų | 86 | 28.7 Ų | 28.7 | 40% | 0.402 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.3 | -39.6 | 175.5 | -79 | 174.5 | -21 | 0 | 0 | 112.2 | F878 I940 F942 W947 | F878-Q944 HydrophobicContact CD1-CG 3.67Å; F878-Q944 HydrophobicContact CD2-CG 4.09Å; F878-Q944 HydrophobicContact CE1-CG 3.46Å; F878-Q944 VanDerWaalsContact CE1-CG 3.46Å; F878-Q944 HydrophobicContact CE2-CG 3.89Å; F878-Q944 HydrophobicContact CG-CG 3.99Å; F878-Q944 HydrophobicContact CZ-CG 3.57Å; I940-Q944 HydrophobicContact CG1-CG 4.42Å; I940-Q944 WeakPolarHBondContact O-CB 3.28Å; I940-Q944 VanDerWaalsContact O-CG 3.26Å; I940-Q944 WeakPolarHBondContact O-CG 3.21Å; I940-Q944 PolarHBondContact O-N 2.6Å; F942-Q944 PolarHBondContact O-N 3.28Å; Q944-W947 PolarHBondContact O-N 2.91Å |
| 945 | R | 91.7 | Very high | 91.6 | Very high | 95 Ų | 95 | 30.8 Ų | 30.8 | 36% | 0.358 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -65.4 | -38.8 | 177.3 | -70 | 168.8 | 57.5 | -149.3 | -8.6 | 112.6 | P907 A909 L911 K941 F942 L943 S948 | P907-R945 PolarHBondContact O-NH1 2.9Å; A909-R945 PolarHBondContact O-NH1 2.88Å; A909-R945 PolarHBondContact O-NH2 2.91Å; L911-R945 HydrophobicContact CD2-CB 4.02Å; K941-R945 WeakPolarHBondContact O-CG 3.37Å; K941-R945 PolarHBondContact O-N 3.49Å; F942-R945 PolarHBondContact O-N 3.06Å; L943-R945 VanDerWaalsContact C-N 3.32Å; L943-R945 PolarHBondContact O-N 3.01Å; R945-S948 PolarHBondContact O-OG 3.17Å |
| 946 | E | 91.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -77.9 | -21.9 | 177.5 | -75.1 | -80.2 | 177.4 | 0 | 0 | 113.4 | L911 L912 G913 L914 F942 L943 S948 N949 | L911-E946 VanDerWaalsContact CA-OE1 3.24Å; L911-E946 WeakPolarHBondContact CA-OE1 3.41Å; L911-E946 VanDerWaalsContact CB-OE1 3.26Å; L911-E946 WeakPolarHBondContact CB-OE1 3.3Å; L911-E946 HydrophobicContact CD2-CG 4Å; L912-E946 PolarHBondContact N-OE1 2.99Å; G913-E946 PolarHBondContact N-OE1 3.43Å; L914-E946 HydrophobicContact CD1-CB 3.89Å; L914-E946 HydrophobicContact CD1-CG 4.06Å; L914-E946 HydrophobicContact CG-CB 4.33Å; L914-E946 HydrophobicContact CG-CG 4.16Å; L914-E946 PolarHBondContact N-OE2 3.2Å; F942-E946 HydrophobicContact CE1-CG 3.94Å; F942-E946 HydrophobicContact CZ-CG 4.12Å; F942-E946 PolarHBondContact O-N 3.03Å; L943-E946 PolarHBondContact O-N 2.98Å; E946-S948 VanDerWaalsContact C-N 3.26Å; E946-S948 PolarHBondContact O-N 3.29Å; E946-N949 PolarHBondContact O-N 3.27Å; E946-N949 VanDerWaalsContact O-N 3.09Å |
| 947 | W | 92.3 | Very high | 91.3 | Very high | 14 Ų | 14 | 32.2 Ų | 32.2 | 5% | 0.053 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.3 | -35.4 | -172.3 | -172.1 | -104.4 | 0 | 0 | 0 | 113.3 | Q876 F878 N881 L943 Q944 N949 I950 A951 V956 T958 | Q876-W947 HydrophobicContact CB-CZ2 4.43Å; Q876-W947 PolarHBondContact O-NE1 3.27Å; F878-W947 HydrophobicContact CB-CD2 4.49Å; F878-W947 HydrophobicContact CB-CG 4.09Å; F878-W947 HydrophobicContact CD2-CB 3.83Å; F878-W947 AromaticContact CD2-CD2 3.78Å; F878-W947 HydrophobicContact CD2-CD2 3.78Å; F878-W947 HydrophobicContact CD2-CE3 4.06Å; F878-W947 AromaticContact CD2-CG 3.65Å; F878-W947 HydrophobicContact CD2-CG 3.65Å; F878-W947 HydrophobicContact CG-CG 4.37Å; N881-W947 HydrophobicContact CB-CH2 3.42Å; N881-W947 VanDerWaalsContact CB-CH2 3.42Å; N881-W947 HydrophobicContact CB-CZ2 3.68Å; N881-W947 HydrophobicContact CB-CZ3 4.31Å; N881-W947 VanDerWaalsContact ND2-CZ2 3.29Å; N881-W947 WeakPolarHBondContact ND2-CZ2 3.36Å; L943-W947 WeakPolarHBondContact O-CB 3.5Å; L943-W947 PolarHBondContact O-N 3.39Å; Q944-W947 PolarHBondContact O-N 2.91Å; W947-N949 PolarHBondContact O-N 3.37Å; W947-N949 VanDerWaalsContact O-N 3.1Å; W947-I950 HydrophobicContact CD2-CG1 4.36Å; W947-I950 HydrophobicContact CE3-CD1 3.7Å; W947-I950 HydrophobicContact CE3-CG1 3.87Å; W947-I950 HydrophobicContact CZ3-CD1 3.94Å; W947-I950 HydrophobicContact CZ3-CG1 4.27Å; W947-I950 PolarHBondContact O-N 3.37Å; W947-A951 WeakPolarHBondContact O-CB 3.3Å; W947-A951 PolarHBondContact O-N 3.07Å; W947-V956 HydrophobicContact CH2-CG1 4.39Å; W947-V956 HydrophobicContact CZ3-CG1 4.1Å; W947-T958 HydrophobicContact CE3-CG2 3.85Å; W947-T958 HydrophobicContact CZ3-CG2 3.67Å |
| 948 | S | 87.6 | Confident | 91.2 | Very high | 58 Ų | 58 | 32.2 Ų | 32.2 | 41% | 0.406 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -33.3 | 177.3 | 54.4 | 0 | 0 | 0 | 0 | 113 | R945 E946 | R945-S948 PolarHBondContact O-OG 3.17Å; E946-S948 VanDerWaalsContact C-N 3.26Å; E946-S948 PolarHBondContact O-N 3.29Å |
| 949 | N | 85.5 | Confident | 91.1 | Very high | 56 Ų | 56 | 32.8 Ų | 32.8 | 30% | 0.299 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -13.5 | -177.4 | -67.7 | -25.8 | 0 | 0 | 0 | 113.6 | E397 H915 E946 W947 | E397-N949 PolarHBondContact OE1-ND2 3.36Å; H915-N949 HydrophobicContact CB-CB 4.21Å; H915-N949 WeakPolarHBondContact CB-O 3.25Å; E946-N949 PolarHBondContact O-N 3.27Å; E946-N949 VanDerWaalsContact O-N 3.09Å; W947-N949 PolarHBondContact O-N 3.37Å; W947-N949 VanDerWaalsContact O-N 3.1Å |
| 950 | I | 91.1 | Very high | 91 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | -4.6 | -175.5 | 58.6 | 171.6 | 0 | 0 | 0 | 114.4 | L914 H915 V918 F936 W947 N952 F953 V956 | L914-I950 HydrophobicContact CB-CG2 4.09Å; H915-I950 HydrophobicContact CB-CG2 4.3Å; V918-I950 HydrophobicContact CB-CG2 4.49Å; V918-I950 HydrophobicContact CG2-CG2 4.02Å; F936-I950 HydrophobicContact CD2-CD1 4.2Å; F936-I950 HydrophobicContact CE2-CD1 3.82Å; W947-I950 HydrophobicContact CD2-CG1 4.36Å; W947-I950 HydrophobicContact CE3-CD1 3.7Å; W947-I950 HydrophobicContact CE3-CG1 3.87Å; W947-I950 HydrophobicContact CZ3-CD1 3.94Å; W947-I950 HydrophobicContact CZ3-CG1 4.27Å; W947-I950 PolarHBondContact O-N 3.37Å; I950-N952 PolarHBondContact O-N 3.46Å; I950-F953 HydrophobicContact CB-CD2 4.4Å; I950-F953 PolarHBondContact O-N 3.34Å; I950-V956 HydrophobicContact CD1-CG1 4.23Å |
| 951 | A | 89.6 | Confident | 90.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -13.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R875 Q876 W947 | R875-A951 HydrophobicContact CG-CB 4.02Å; Q876-A951 PolarHBondContact N-O 2.96Å; W947-A951 WeakPolarHBondContact O-CB 3.3Å; W947-A951 PolarHBondContact O-N 3.07Å |
| 952 | N | 88.8 | Confident | 91 | Very high | 33 Ų | 33 | 26.4 Ų | 26.4 | 18% | 0.176 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 6.9 | -178.3 | -65.2 | 98.2 | 0 | 0 | 0 | 114 | Y872 C873 I950 | Y872-N952 HydrophobicContact CD2-CB 4.07Å; Y872-N952 HydrophobicContact CE2-CB 3.9Å; Y872-N952 WeakPolarHBondContact CE2-ND2 3.46Å; C873-N952 PolarHBondContact N-O 2.99Å; C873-N952 WeakPolarHBondContact O-CA 2.91Å; C873-N952 PolarHBondContact O-ND2 2.88Å; C873-N952 PolarHBondContact SG-O 3.02Å; I950-N952 PolarHBondContact O-N 3.46Å |
| 953 | F | 90 | Very high | 91 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -107.6 | 136.8 | -179.3 | -67.5 | -69.5 | 0 | 0 | 0 | 113.1 | V918 M919 R922 I950 V956 L1118 | V918-F953 HydrophobicContact CB-CD2 4.18Å; V918-F953 HydrophobicContact CB-CE2 4.37Å; V918-F953 HydrophobicContact CG1-CB 3.74Å; V918-F953 HydrophobicContact CG1-CD1 4.12Å; V918-F953 HydrophobicContact CG1-CD2 3.53Å; V918-F953 HydrophobicContact CG1-CE2 4.1Å; V918-F953 HydrophobicContact CG1-CG 3.53Å; M919-F953 HydrophobicContact CB-CZ 4.19Å; R922-F953 HydrophobicContact CB-CD1 3.84Å; R922-F953 HydrophobicContact CB-CE1 4.17Å; R922-F953 HydrophobicContact CG-CB 4.32Å; R922-F953 HydrophobicContact CG-CD1 3.84Å; R922-F953 HydrophobicContact CG-CG 4.32Å; I950-F953 HydrophobicContact CB-CD2 4.4Å; I950-F953 PolarHBondContact O-N 3.34Å; F953-V956 HydrophobicContact CB-CG2 3.95Å; F953-L1118 HydrophobicContact CE1-CD1 3.69Å; F953-L1118 HydrophobicContact CE2-CD1 4.03Å; F953-L1118 HydrophobicContact CZ-CD1 3.31Å |
| 954 | P | 89.5 | Confident | 91 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.019 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -74 | 156.1 | 179.3 | 29 | -34.5 | 0 | 0 | 0 | 113 | Y862 R922 V956 | Y862-P954 HydrophobicContact CD1-CB 3.66Å; Y862-P954 HydrophobicContact CD1-CG 3.97Å; Y862-P954 HydrophobicContact CE1-CB 3.43Å; Y862-P954 VanDerWaalsContact CE1-CB 3.43Å; Y862-P954 HydrophobicContact CE1-CG 4.14Å; R922-P954 PolarHBondContact NE-O 2.63Å; R922-P954 PolarHBondContact NH2-O 3.41Å; R922-P954 VanDerWaalsContact NH2-O 3.12Å; P954-V956 VanDerWaalsContact C-N 3.33Å; P954-V956 PolarHBondContact O-N 3.04Å |
| 955 | K | 89 | Confident | 91.1 | Very high | 43 Ų | 43 | 27.5 Ų | 27.5 | 19% | 0.187 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 56.2 | 40 | 175.1 | -58.4 | 177.4 | 169.9 | 175.8 | 0 | 113.7 | Y862 R922 P928 L931 I934 | Y862-K955 VanDerWaalsContact OH-CE 3.3Å; Y862-K955 WeakPolarHBondContact OH-CE 3.45Å; R922-K955 PolarHBondContact NH2-O 3.18Å; P928-K955 PolarHBondContact O-NZ 3.03Å; P928-K955 VanDerWaalsContact O-NZ 3.12Å; L931-K955 HydrophobicContact CB-CD 4.26Å; L931-K955 PolarHBondContact O-NZ 3.46Å; I934-K955 PolarHBondContact N-O 2.89Å |
| 956 | V | 92 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.1 | 175.8 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | N881 V918 F936 W947 I950 F953 P954 | N881-V956 PolarHBondContact OD1-O 2.94Å; V918-V956 HydrophobicContact CG1-CG2 4.1Å; F936-V956 HydrophobicContact CD2-CG1 3.94Å; F936-V956 HydrophobicContact CE2-CG1 3.63Å; W947-V956 HydrophobicContact CH2-CG1 4.39Å; W947-V956 HydrophobicContact CZ3-CG1 4.1Å; I950-V956 HydrophobicContact CD1-CG1 4.23Å; F953-V956 HydrophobicContact CB-CG2 3.95Å; P954-V956 VanDerWaalsContact C-N 3.33Å; P954-V956 PolarHBondContact O-N 3.04Å |
| 957 | Y | 92.4 | Very high | 91.2 | Very high | 31 Ų | 31 | 31.3 Ų | 31.3 | 12% | 0.122 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 157 | -178.9 | -59.5 | -73.8 | 0 | 0 | 0 | 111 | N881 I883 Q891 T933 I934 L935 F936 | N881-Y957 HydrophobicContact CB-CD1 4.36Å; I883-Y957 HydrophobicContact CD1-CG 4.32Å; Q891-Y957 HydrophobicContact CG-CE1 4.41Å; T933-Y957 HydrophobicContact CG2-CD2 3.38Å; T933-Y957 HydrophobicContact CG2-CE2 3.54Å; I934-Y957 PolarHBondContact O-N 3.48Å; L935-Y957 WeakPolarHBondContact CA-O 3.32Å; F936-Y957 PolarHBondContact N-O 3.38Å |
| 958 | T | 92.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.3 | 177.1 | 58 | 0 | 0 | 0 | 0 | 110.3 | F878 N881 I883 F936 L943 W947 | F878-T958 HydrophobicContact CE2-CG2 4.08Å; N881-T958 PolarHBondContact O-N 3.3Å; N881-T958 PolarHBondContact O-OG1 3.39Å; I883-T958 PolarHBondContact N-O 3.5Å; F936-T958 HydrophobicContact CB-CG2 4.33Å; F936-T958 CarbonylContact O-C 3.36Å; F936-T958 WeakPolarHBondContact O-CA 3.49Å; L943-T958 HydrophobicContact CD1-CG2 4.48Å; W947-T958 HydrophobicContact CE3-CG2 3.85Å; W947-T958 HydrophobicContact CZ3-CG2 3.67Å |
| 959 | L | 92.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.058 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 112.6 | 172.7 | 175.9 | 63.3 | 0 | 0 | 0 | 107.4 | I883 L935 F936 L937 G938 G961 A971 A972 | I883-L959 HydrophobicContact CB-CD1 4.34Å; I883-L959 WeakPolarHBondContact O-CD1 3.44Å; L935-L959 HydrophobicContact CD1-CB 4Å; L935-L959 HydrophobicContact CG-CB 4.45Å; F936-L959 PolarHBondContact O-N 3.09Å; L937-L959 WeakPolarHBondContact CA-O 3.31Å; L937-L959 HydrophobicContact CD1-CB 4.28Å; L937-L959 HydrophobicContact CD1-CD2 3.94Å; L937-L959 HydrophobicContact CD1-CG 3.89Å; L937-L959 WeakPolarHBondContact CD1-O 3.25Å; G938-L959 PolarHBondContact N-O 3.22Å; L959-G961 PolarHBondContact O-N 3.06Å; L959-A971 HydrophobicContact CD2-CB 4.38Å; L959-A972 HydrophobicContact CD2-CB 3.68Å |
| 960 | A | 91.4 | Very high | 91.7 | Very high | 44 Ų | 44 | 32.6 Ų | 32.6 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 125.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L882 I940 | L882-A960 HydrophobicContact CD1-CB 4.1Å; I940-A960 HydrophobicContact CB-CB 4.08Å; I940-A960 HydrophobicContact CD1-CB 4.4Å; I940-A960 HydrophobicContact CG1-CB 4.44Å |
| 961 | G | 90.8 | Very high | 91.5 | Very high | 22 Ų | 22 | 34.2 Ų | 34.2 | 23% | 0.227 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 164.2 | -178 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G938 L959 D968 | G938-G961 CarbonylContact C-O 3.59Å; G938-G961 VanDerWaalsContact CA-O 3.29Å; G938-G961 WeakPolarHBondContact CA-O 3.28Å; G938-G961 PolarHBondContact O-N 3.37Å; L959-G961 PolarHBondContact O-N 3.06Å; G961-D968 WeakPolarHBondContact CA-OD2 3.38Å |
| 962 | S | 92.7 | Very high | 91.5 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 35% | 0.35 | 19% | 0.194 | S | C | . | . | trans | -104.1 | 128.7 | 176 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | L964 S965 D968 | S962-L964 PolarHBondContact O-N 3Å; S962-L964 PolarHBondContact OG-N 3.46Å; S962-S965 VanDerWaalsContact O-CB 3.3Å; S962-S965 WeakPolarHBondContact O-CB 3.35Å; S962-S965 PolarHBondContact O-N 3.25Å; S962-D968 PolarHBondContact N-OD2 3.15Å | ||
| 963 | P | 93.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -15.2 | 170.4 | -23.8 | 32.9 | 0 | 0 | 0 | 114.9 | C902 L904 L937 L969 C1004 | C902-P963 HydrophobicContact CB-CB 3.73Å; C902-P963 HydrophobicContact CB-CG 3.87Å; L904-P963 HydrophobicContact CD2-CB 4.01Å; L904-P963 HydrophobicContact CD2-CG 4.02Å; L904-P963 HydrophobicContact CG-CB 4.39Å; L904-P963 HydrophobicContact CG-CG 4.28Å; L937-P963 HydrophobicContact CD2-CB 4.37Å; L937-P963 HydrophobicContact CD2-CG 4.35Å; L937-P963 HydrophobicContact CG-CG 4.13Å; P963-L969 WeakPolarHBondContact O-CD1 3.38Å; P963-C1004 PolarHBondContact O-SG 2.95Å; P963-C1004 VanDerWaalsContact O-SG 3.4Å |
| 964 | L | 94 | Very high | 91.6 | Very high | 69 Ų | 69 | 35.2 Ų | 35.2 | 36% | 0.361 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -21.4 | 174 | -63 | 173.2 | 0 | 0 | 0 | 112.1 | L904 S962 R966 L1003 C1004 N1007 | L904-L964 HydrophobicContact CD2-CD1 4.38Å; L904-L964 HydrophobicContact CD2-CD2 4.44Å; L904-L964 HydrophobicContact CD2-CG 3.97Å; S962-L964 PolarHBondContact O-N 3Å; S962-L964 PolarHBondContact OG-N 3.46Å; L964-R966 PolarHBondContact O-N 3.29Å; L964-L1003 HydrophobicContact CD2-CB 4.38Å; L964-C1004 HydrophobicContact CD2-CB 3.85Å; L964-N1007 PolarHBondContact O-ND2 3.45Å |
| 965 | S | 94.7 | Very high | 91.5 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | trans | -77.5 | 117.6 | 177.2 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | S962 A967 D968 L969 | S962-S965 VanDerWaalsContact O-CB 3.3Å; S962-S965 WeakPolarHBondContact O-CB 3.35Å; S962-S965 PolarHBondContact O-N 3.25Å; S965-A967 PolarHBondContact O-N 3.23Å; S965-A967 PolarHBondContact OG-N 3.45Å; S965-D968 VanDerWaalsContact CB-CG 3.49Å; S965-D968 WeakPolarHBondContact CB-OD2 3.16Å; S965-D968 PolarHBondContact O-N 3Å; S965-D968 PolarHBondContact OG-N 2.92Å; S965-D968 PolarHBondContact OG-OD1 3.01Å; S965-D968 PolarHBondContact OG-OD2 3.49Å; S965-L969 WeakPolarHBondContact O-CG 3.24Å; S965-L969 PolarHBondContact O-N 3.46Å; S965-L969 VanDerWaalsContact O-N 3.12Å | ||
| 966 | R | 93.2 | Very high | 91.4 | Very high | 112 Ų | 112 | 36.3 Ų | 36.3 | 42% | 0.423 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.5 | -24.8 | 173.2 | -70.3 | -176.5 | 176.3 | -169 | -5.9 | 112.8 | L964 R970 N1007 M1011 | L964-R966 PolarHBondContact O-N 3.29Å; R966-R970 WeakPolarHBondContact O-CB 3.47Å; R966-R970 VanDerWaalsContact O-CG 3.24Å; R966-R970 WeakPolarHBondContact O-CG 3.45Å; R966-R970 PolarHBondContact O-N 3.41Å; R966-R970 VanDerWaalsContact O-N 3.15Å; R966-N1007 PolarHBondContact NE-OD1 3.29Å; R966-N1007 PolarHBondContact NH2-OD1 3.11Å; R966-N1007 VanDerWaalsContact NH2-OD1 3.15Å; R966-M1011 HydrophobicContact CG-CG 4.44Å |
| 967 | A | 91.3 | Very high | 91.3 | Very high | 64 Ų | 64 | 36.3 Ų | 36.3 | 53% | 0.529 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.5 | -45 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S965 R970 A971 | S965-A967 PolarHBondContact O-N 3.23Å; S965-A967 PolarHBondContact OG-N 3.45Å; A967-R970 WeakPolarHBondContact O-CB 3.39Å; A967-R970 PolarHBondContact O-N 3.29Å; A967-A971 PolarHBondContact O-N 2.91Å |
| 968 | D | 92.5 | Very high | 91.1 | Very high | 43 Ų | 43 | 35.4 Ų | 35.4 | 23% | 0.23 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -70.9 | -39.7 | -177 | -53.1 | -7.1 | 0 | 0 | 0 | 110.6 | L937 G961 S962 S965 R970 A971 A972 | L937-D968 HydrophobicContact CD1-CB 4.1Å; G961-D968 WeakPolarHBondContact CA-OD2 3.38Å; S962-D968 PolarHBondContact N-OD2 3.15Å; S965-D968 VanDerWaalsContact CB-CG 3.49Å; S965-D968 WeakPolarHBondContact CB-OD2 3.16Å; S965-D968 PolarHBondContact O-N 3Å; S965-D968 PolarHBondContact OG-N 2.92Å; S965-D968 PolarHBondContact OG-OD1 3.01Å; S965-D968 PolarHBondContact OG-OD2 3.49Å; D968-R970 VanDerWaalsContact C-N 3.29Å; D968-R970 PolarHBondContact O-N 3.13Å; D968-A971 CarbonylContact O-C 3.52Å; D968-A971 WeakPolarHBondContact O-CB 3.43Å; D968-A971 PolarHBondContact O-N 2.91Å; D968-A971 VanDerWaalsContact O-N 3.16Å; D968-A972 WeakPolarHBondContact O-CB 3.47Å; D968-A972 PolarHBondContact O-N 2.88Å |
| 969 | L | 92.7 | Very high | 91 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62 | -34.9 | 171.9 | -66.7 | 171.6 | 0 | 0 | 0 | 112.9 | L900 L937 P963 S965 R973 I974 I1008 M1011 | L900-L969 HydrophobicContact CD2-CD2 4.46Å; L937-L969 HydrophobicContact CD2-CD2 3.77Å; L937-L969 HydrophobicContact CD2-CG 4.47Å; P963-L969 WeakPolarHBondContact O-CD1 3.38Å; S965-L969 WeakPolarHBondContact O-CG 3.24Å; S965-L969 PolarHBondContact O-N 3.46Å; S965-L969 VanDerWaalsContact O-N 3.12Å; L969-R973 PolarHBondContact O-N 2.92Å; L969-I974 HydrophobicContact CB-CG2 4.36Å; L969-I974 HydrophobicContact CD2-CD1 4.13Å; L969-I974 WeakPolarHBondContact O-CB 3.21Å; L969-I974 WeakPolarHBondContact O-CG2 3.27Å; L969-I974 PolarHBondContact O-N 3.38Å; L969-I1008 HydrophobicContact CD1-CD1 4.48Å; L969-I1008 HydrophobicContact CD1-CG1 3.73Å; L969-I1008 HydrophobicContact CD2-CD1 4.35Å; L969-I1008 HydrophobicContact CD2-CG1 4.39Å; L969-M1011 HydrophobicContact CB-CE 4.1Å; L969-M1011 HydrophobicContact CB-SD 4.11Å; L969-M1011 HydrophobicContact CD1-SD 3.78Å |
| 970 | R | 90.5 | Very high | 91.2 | Very high | 111 Ų | 111 | 35 Ų | 35 | 42% | 0.419 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -72.5 | -38.1 | 173.5 | -75 | -179.6 | -168.6 | -74.4 | 1.7 | 111.5 | R966 A967 D968 A972 R973 M1011 Q1012 | R966-R970 WeakPolarHBondContact O-CB 3.47Å; R966-R970 VanDerWaalsContact O-CG 3.24Å; R966-R970 WeakPolarHBondContact O-CG 3.45Å; R966-R970 PolarHBondContact O-N 3.41Å; R966-R970 VanDerWaalsContact O-N 3.15Å; A967-R970 WeakPolarHBondContact O-CB 3.39Å; A967-R970 PolarHBondContact O-N 3.29Å; D968-R970 VanDerWaalsContact C-N 3.29Å; D968-R970 PolarHBondContact O-N 3.13Å; R970-A972 VanDerWaalsContact C-N 3.32Å; R970-R973 WeakPolarHBondContact O-CA 3.16Å; R970-R973 PolarHBondContact O-N 2.95Å; R970-M1011 HydrophobicContact CG-CE 3.74Å; R970-Q1012 PolarHBondContact NH1-O 2.81Å; R970-Q1012 PolarHBondContact NH2-O 2.84Å |
| 971 | A | 88 | Confident | 91.4 | Very high | 37 Ų | 37 | 33 Ų | 33 | 31% | 0.306 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.1 | -41.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | F888 L959 A967 D968 R973 | F888-A971 WeakPolarHBondContact CE1-O 3.42Å; F888-A971 HydrophobicContact CZ-CB 4.22Å; F888-A971 WeakPolarHBondContact CZ-O 3.38Å; L959-A971 HydrophobicContact CD2-CB 4.38Å; A967-A971 PolarHBondContact O-N 2.91Å; D968-A971 CarbonylContact O-C 3.52Å; D968-A971 WeakPolarHBondContact O-CB 3.43Å; D968-A971 PolarHBondContact O-N 2.91Å; D968-A971 VanDerWaalsContact O-N 3.16Å; A971-R973 PolarHBondContact O-N 3.38Å |
| 972 | A | 89.3 | Confident | 91.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -5.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | H898 L900 L935 L959 D968 R970 I974 | H898-A972 PolarHBondContact CE1-O 3Å; H898-A972 VanDerWaalsContact CE1-O 3.28Å; H898-A972 PolarHBondContact NE2-O 2.86Å; H898-A972 VanDerWaalsContact NE2-O 3.17Å; L900-A972 HydrophobicContact CD1-CB 3.86Å; L900-A972 HydrophobicContact CD2-CB 4.13Å; L935-A972 HydrophobicContact CD2-CB 3.98Å; L959-A972 HydrophobicContact CD2-CB 3.68Å; D968-A972 WeakPolarHBondContact O-CB 3.47Å; D968-A972 PolarHBondContact O-N 2.88Å; R970-A972 VanDerWaalsContact C-N 3.32Å; A972-I974 VanDerWaalsContact C-N 3.28Å; A972-I974 PolarHBondContact O-N 3.4Å |
| 973 | R | 89.2 | Confident | 91.7 | Very high | 56 Ų | 56 | 29.5 Ų | 29.5 | 21% | 0.211 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 42.6 | -177.1 | -62.5 | -172.7 | 174 | -178.9 | 2.1 | 113.2 | S892 L969 R970 A971 Q975 Y976 | S892-R973 PolarHBondContact O-NH1 3.21Å; L969-R973 PolarHBondContact O-N 2.92Å; R970-R973 WeakPolarHBondContact O-CA 3.16Å; R970-R973 PolarHBondContact O-N 2.95Å; A971-R973 PolarHBondContact O-N 3.38Å; R973-Q975 PolarHBondContact O-N 3.35Å; R973-Y976 HydrophobicContact CB-CD2 4Å; R973-Y976 PolarHBondContact O-N 3.01Å |
| 974 | I | 90.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -52.8 | -26.5 | -177.7 | -163.9 | 176.5 | 0 | 0 | 0 | 114.2 | L900 L969 A972 Y976 S977 C980 I1008 M1011 F1013 I1035 | L900-I974 HydrophobicContact CD2-CB 3.96Å; L900-I974 HydrophobicContact CD2-CD1 3.85Å; L900-I974 HydrophobicContact CD2-CG1 3.64Å; L969-I974 HydrophobicContact CB-CG2 4.36Å; L969-I974 HydrophobicContact CD2-CD1 4.13Å; L969-I974 WeakPolarHBondContact O-CB 3.21Å; L969-I974 WeakPolarHBondContact O-CG2 3.27Å; L969-I974 PolarHBondContact O-N 3.38Å; A972-I974 VanDerWaalsContact C-N 3.28Å; A972-I974 PolarHBondContact O-N 3.4Å; I974-Y976 PolarHBondContact O-N 2.98Å; I974-Y976 VanDerWaalsContact O-N 3.15Å; I974-S977 PolarHBondContact O-N 3.44Å; I974-S977 VanDerWaalsContact O-N 3.14Å; I974-S977 PolarHBondContact O-OG 3.21Å; I974-C980 HydrophobicContact CD1-CB 4.4Å; I974-I1008 HydrophobicContact CD1-CB 4.49Å; I974-I1008 HydrophobicContact CD1-CD1 3.94Å; I974-I1008 HydrophobicContact CD1-CG1 3.96Å; I974-I1008 HydrophobicContact CD1-CG2 3.69Å; I974-M1011 HydrophobicContact CG2-CE 4.25Å; I974-M1011 HydrophobicContact CG2-SD 4.46Å; I974-F1013 HydrophobicContact CG2-CE1 4.01Å; I974-F1013 HydrophobicContact CG2-CZ 3.75Å; I974-I1035 HydrophobicContact CD1-CD1 4.18Å; I974-I1035 HydrophobicContact CG1-CD1 4.01Å; I974-I1035 HydrophobicContact CG1-CG2 4.42Å; I974-I1035 HydrophobicContact CG2-CD1 4.31Å |
| 975 | Q | 87.8 | Confident | 90.6 | Very high | 34 Ų | 34 | 27.7 Ų | 27.7 | 16% | 0.159 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -61.6 | -19.7 | 175.2 | 71.1 | -158.3 | 15.1 | 0 | 0 | 114.5 | R973 F1013 | R973-Q975 PolarHBondContact O-N 3.35Å; Q975-F1013 HydrophobicContact CB-CD1 3.82Å; Q975-F1013 HydrophobicContact CB-CD2 4.14Å; Q975-F1013 HydrophobicContact CB-CE1 3.85Å; Q975-F1013 HydrophobicContact CB-CE2 4.17Å; Q975-F1013 HydrophobicContact CB-CG 3.98Å; Q975-F1013 HydrophobicContact CB-CZ 4.04Å |
| 976 | Y | 87.9 | Confident | 89.4 | Confident | 35 Ų | 35 | 28.8 Ų | 28.8 | 14% | 0.137 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -111.2 | 4.2 | 177.7 | -52.5 | -56.7 | 0 | 0 | 0 | 112.9 | Y896 N897 R973 I974 K1028 | Y896-Y976 HydrophobicContact CD1-CD1 4.23Å; Y896-Y976 HydrophobicContact CD1-CD2 4.01Å; Y896-Y976 HydrophobicContact CD1-CE2 4.45Å; Y896-Y976 AromaticContact CD1-CG 3.91Å; Y896-Y976 HydrophobicContact CD1-CG 3.91Å; Y896-Y976 HydrophobicContact CE1-CD1 4.21Å; Y896-Y976 AromaticContact CE1-CD2 3.74Å; Y896-Y976 HydrophobicContact CE1-CD2 3.74Å; Y896-Y976 HydrophobicContact CE1-CE1 4.21Å; Y896-Y976 AromaticContact CE1-CE2 3.74Å; Y896-Y976 HydrophobicContact CE1-CE2 3.74Å; Y896-Y976 HydrophobicContact CE1-CG 4Å; Y896-Y976 AromaticContact CE1-CZ 3.99Å; N897-Y976 WeakPolarHBondContact CA-O 3.37Å; N897-Y976 PolarHBondContact N-O 3.4Å; R973-Y976 HydrophobicContact CB-CD2 4Å; R973-Y976 PolarHBondContact O-N 3.01Å; I974-Y976 PolarHBondContact O-N 2.98Å; I974-Y976 VanDerWaalsContact O-N 3.15Å; Y976-K1028 HydrophobicContact CE1-CB 3.98Å; Y976-K1028 HydrophobicContact CE1-CD 4.07Å; Y976-K1028 HydrophobicContact CE1-CG 3.72Å |
| 977 | S | 89 | Confident | 87.8 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | trans | -67.7 | 142.4 | 176.2 | 69.3 | 0 | 0 | 0 | 0 | 109.8 | H898 I974 R1029 | H898-S977 CarbonylContact O-C 3.59Å; H898-S977 WeakPolarHBondContact O-CA 3.3Å; I974-S977 PolarHBondContact O-N 3.44Å; I974-S977 VanDerWaalsContact O-N 3.14Å; I974-S977 PolarHBondContact O-OG 3.21Å; S977-R1029 PolarHBondContact O-NH1 3.4Å; S977-R1029 PolarHBondContact O-NH2 2.91Å | ||
| 978 | S | 88.8 | Confident | 86.2 | Confident | 11 Ų | 11 | 26.6 Ų | 26.6 | 8% | 0.077 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -69.3 | -50 | 172.8 | 64.8 | 0 | 0 | 0 | 0 | 110.4 | N897 H898 K932 R1029 P1036 | N897-S978 VanDerWaalsContact OD1-CB 3.25Å; N897-S978 WeakPolarHBondContact OD1-CB 3.35Å; H898-S978 PolarHBondContact O-N 3.36Å; H898-S978 PolarHBondContact O-OG 2.73Å; H898-S978 VanDerWaalsContact O-OG 3.07Å; K932-S978 PolarHBondContact NZ-OG 3.04Å; S978-R1029 PolarHBondContact O-NH2 2.92Å; S978-P1036 WeakPolarHBondContact O-CG 3.29Å |
| 979 | V | 91.7 | Very high | 84.7 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.03 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 144.9 | 178 | 179.7 | 0 | 0 | 0 | 0 | 108.1 | P434 L900 V981 P1036 I1038 | P434-V979 HydrophobicContact CG-CG2 4.41Å; L900-V979 PolarHBondContact N-O 2.9Å; V979-V981 HydrophobicContact CG1-CG2 4.37Å; V979-P1036 HydrophobicContact CG2-CB 4.33Å; V979-I1038 HydrophobicContact CG1-CD1 3.64Å; V979-I1038 HydrophobicContact CG1-CG1 3.95Å |
| 980 | C | 94.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 120.7 | 170.6 | 176.4 | 0 | 0 | 0 | 0 | 109.9 | L900 I974 I1035 P1036 L1037 I1038 | L900-C980 HydrophobicContact CB-CB 4.42Å; L900-C980 CarbonylContact O-C 3.54Å; L900-C980 VanDerWaalsContact O-CA 3.26Å; L900-C980 WeakPolarHBondContact O-CA 3.27Å; I974-C980 HydrophobicContact CD1-CB 4.4Å; C980-I1035 HydrophobicContact CB-CG2 4.18Å; C980-P1036 PolarHBondContact N-O 2.95Å; C980-L1037 HydrophobicContact CB-CD2 3.74Å; C980-L1037 WeakPolarHBondContact O-CA 3.47Å; C980-I1038 PolarHBondContact O-N 3.03Å |
| 981 | V | 95.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 132.5 | 176.9 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | L427 C431 L900 V901 C902 F917 V979 L983 I1038 | L427-V981 HydrophobicContact CB-CG1 4.46Å; L427-V981 HydrophobicContact CD1-CG1 4.37Å; C431-V981 WeakPolarHBondContact SG-CG2 3.33Å; L900-V981 PolarHBondContact O-N 3.42Å; V901-V981 CarbonylContact C-O 3.59Å; V901-V981 WeakPolarHBondContact CA-O 3.33Å; V901-V981 HydrophobicContact CG1-CB 4.5Å; C902-V981 PolarHBondContact N-O 3.39Å; F917-V981 HydrophobicContact CE2-CG1 4.49Å; F917-V981 HydrophobicContact CE2-CG2 4.28Å; F917-V981 HydrophobicContact CZ-CG2 4.12Å; V979-V981 HydrophobicContact CG1-CG2 4.37Å; V981-L983 HydrophobicContact CG1-CD2 3.75Å; V981-L983 HydrophobicContact CG1-CG 4.07Å; V981-I1038 CarbonylContact C-O 3.56Å; V981-I1038 WeakPolarHBondContact CA-O 3.35Å; V981-I1038 HydrophobicContact CG2-CB 4.47Å; V981-I1038 HydrophobicContact CG2-CD1 4.43Å |
| 982 | I | 95.7 | Very high | 81.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115.2 | 177.3 | -50.2 | 179.9 | 0 | 0 | 0 | 108.2 | C902 L904 V1001 C1004 T1005 I1008 L1037 I1038 T1039 E1040 | C902-I982 HydrophobicContact CB-CG1 4.34Å; L904-I982 HydrophobicContact CD1-CG2 3.93Å; I982-V1001 HydrophobicContact CB-CG1 4.39Å; I982-V1001 HydrophobicContact CG2-CB 4.48Å; I982-V1001 HydrophobicContact CG2-CG1 3.82Å; I982-C1004 HydrophobicContact CD1-CB 4.37Å; I982-C1004 HydrophobicContact CG2-CB 4.23Å; I982-T1005 WeakPolarHBondContact CD1-OG1 3.34Å; I982-I1008 HydrophobicContact CD1-CD1 3.8Å; I982-I1008 HydrophobicContact CG1-CD1 4.45Å; I982-L1037 HydrophobicContact CD1-CD2 4.28Å; I982-I1038 PolarHBondContact N-O 2.68Å; I982-T1039 HydrophobicContact CB-CG2 4.48Å; I982-T1039 HydrophobicContact CD1-CG2 4.11Å; I982-T1039 HydrophobicContact CG1-CG2 4.5Å; I982-E1040 PolarHBondContact O-N 3.49Å; I982-E1040 VanDerWaalsContact O-N 3.1Å |
| 983 | L | 93.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 131 | 178.9 | -56.4 | 179.2 | 0 | 0 | 0 | 109.1 | L424 L427 V901 C902 L904 L912 L914 V981 E1040 | L424-L983 HydrophobicContact CD2-CD1 3.97Å; L424-L983 HydrophobicContact CD2-CD2 4.31Å; L427-L983 HydrophobicContact CD1-CD2 3.4Å; L427-L983 VanDerWaalsContact CD1-CD2 3.4Å; V901-L983 HydrophobicContact CG1-CD1 3.73Å; V901-L983 HydrophobicContact CG1-CG 4.2Å; C902-L983 PolarHBondContact O-N 3.11Å; L904-L983 PolarHBondContact N-O 3.48Å; L912-L983 HydrophobicContact CD1-CB 4.42Å; L912-L983 HydrophobicContact CD1-CD1 4.4Å; L914-L983 HydrophobicContact CD2-CD1 4.45Å; V981-L983 HydrophobicContact CG1-CD2 3.75Å; V981-L983 HydrophobicContact CG1-CG 4.07Å; L983-E1040 HydrophobicContact CD2-CB 4.33Å; L983-E1040 WeakPolarHBondContact CD2-OE2 3.33Å |
| 984 | G | 86.4 | Confident | 80 | Confident | 14 Ų | 14 | 43.2 Ų | 43.2 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 985 | S | 78.4 | Confident | 79.5 | Confident | 20 Ų | 20 | 46.9 Ų | 46.9 | 14% | 0.14 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -100.3 | 150.6 | 165 | -168.2 | 0 | 0 | 0 | 0 | 109.8 | L904 G987 | L904-S985 PolarHBondContact O-N 3.43Å; S985-G987 PolarHBondContact O-N 3.24Å |
| 986 | R | 69.2 | Low | 79.4 | Confident | 61 Ų | 61 | 49.6 Ų | 49.6 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 119 | 176 | -58.6 | -168.3 | 101.7 | -175.7 | 6.6 | 108.9 | T362 T363 P910 L997 M1042 | T362-R986 PolarHBondContact O-NH1 3.03Å; T363-R986 PolarHBondContact O-NH1 2.89Å; P910-R986 WeakPolarHBondContact CD-O 3.47Å; R986-L997 VanDerWaalsContact NH2-CD2 3.3Å; R986-M1042 VanDerWaalsContact CD-CE 3.43Å; R986-M1042 HydrophobicContact CG-CE 3.67Å; R986-M1042 HydrophobicContact CG-SD 3.73Å |
| 987 | G | 60.2 | Low | 79.2 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 28% | 0.278 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 164.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E906 S985 V989 | E906-G987 WeakPolarHBondContact OE2-CA 3.44Å; S985-G987 PolarHBondContact O-N 3.24Å; G987-V989 PolarHBondContact O-N 3.32Å |
| 988 | T | 58.7 | Low | 79.2 | Confident | 104 Ų | 104 | 49.8 Ų | 49.8 | 64% | 0.638 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -68 | -12.5 | 175.7 | 57.9 | 0 | 0 | 0 | 0 | 112.7 | E906 K990 | E906-T988 PolarHBondContact OE2-N 2.94Å; E906-T988 PolarHBondContact OE2-OG1 3.41Å; T988-K990 PolarHBondContact O-N 3.47Å |
| 989 | V | 60.1 | Low | 79.2 | Confident | 95 Ų | 95 | 53.7 Ų | 53.7 | 58% | 0.576 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -70.8 | 122.1 | -176 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | G987 V991 | G987-V989 PolarHBondContact O-N 3.32Å; V989-V991 PolarHBondContact O-N 3.13Å |
| 990 | K | 61.2 | Low | 79.1 | Confident | 158 Ų | 158 | 57.4 Ų | 57.4 | 69% | 0.687 | 30% | 0.304 | S | S | * | . | trans | -63.3 | 106 | 173.7 | -66.7 | 177.9 | -174.9 | 172.3 | 0 | 109.8 | T988 | T988-K990 PolarHBondContact O-N 3.47Š| ||
| 991 | V | 64.4 | Low | 79.1 | Confident | 49 Ų | 49 | 57.7 Ų | 57.7 | 30% | 0.297 | 31% | 0.306 | S | S | . | . | trans | -100.2 | 104.7 | 166.9 | -175.7 | 0 | 0 | 0 | 0 | 107.2 | V989 D993 M996 L997 | V989-V991 PolarHBondContact O-N 3.13Å; V991-D993 VanDerWaalsContact C-N 3.27Å; V991-D993 VanDerWaalsContact CG1-O 3.32Å; V991-D993 WeakPolarHBondContact CG1-O 3.23Å; V991-M996 HydrophobicContact CG1-CB 3.46Å; V991-M996 VanDerWaalsContact CG1-CB 3.46Å; V991-L997 HydrophobicContact CB-CD2 3.91Å; V991-L997 HydrophobicContact CG1-CD2 4.17Å | ||
| 992 | D | 70.1 | Confident | 78.9 | Confident | 153 Ų | 153 | 58.5 Ų | 58.5 | 82% | 0.818 | 31% | 0.31 | S | S | * | . | trans | -73.4 | -22.3 | -179.6 | -66.2 | -31.8 | 0 | 0 | 0 | 112.3 | ||||
| 993 | D | 79.9 | Confident | 78.8 | Confident | 74 Ų | 74 | 63.5 Ų | 63.5 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | trans | -95.3 | 116.4 | -178.8 | -172 | -5.2 | 0 | 0 | 0 | 111.7 | V991 Y995 M996 | V991-D993 VanDerWaalsContact C-N 3.27Å; V991-D993 VanDerWaalsContact CG1-O 3.32Å; V991-D993 WeakPolarHBondContact CG1-O 3.23Å; D993-Y995 PolarHBondContact O-N 3.25Å; D993-Y995 VanDerWaalsContact O-N 3.17Å; D993-Y995 VanDerWaalsContact OD1-CD2 3.26Å; D993-Y995 WeakPolarHBondContact OD1-CD2 3.42Å; D993-Y995 PolarHBondContact OD1-N 2.88Å; D993-M996 HydrophobicContact CB-CB 4.31Å; D993-M996 HydrophobicContact CB-CG 4.08Å; D993-M996 PolarHBondContact O-N 3.02Å | ||
| 994 | P | 75.8 | Confident | 78.8 | Confident | 66 Ų | 66 | 63.5 Ų | 63.5 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -57.3 | -30.3 | 177.8 | 23.9 | -34.8 | 0 | 0 | 0 | 113.5 | M996 L997 T1043 | P994-M996 PolarHBondContact O-N 2.8Å; P994-L997 HydrophobicContact CB-CD1 4.48Å; P994-L997 WeakPolarHBondContact O-CB 3.42Å; P994-L997 PolarHBondContact O-N 2.89Å; P994-T1043 HydrophobicContact CB-CG2 4.34Å |
| 995 | Y | 80.9 | Confident | 79.1 | Confident | 78 Ų | 78 | 62.8 Ų | 62.8 | 31% | 0.306 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -68.1 | -21.4 | 179.1 | -66.3 | -79.8 | 0 | 0 | 0 | 113 | D993 N1045 N1046 L1058 | D993-Y995 PolarHBondContact O-N 3.25Å; D993-Y995 VanDerWaalsContact O-N 3.17Å; D993-Y995 VanDerWaalsContact OD1-CD2 3.26Å; D993-Y995 WeakPolarHBondContact OD1-CD2 3.42Å; D993-Y995 PolarHBondContact OD1-N 2.88Å; Y995-N1045 HydrophobicContact CD1-CB 4.3Å; Y995-N1045 HydrophobicContact CE1-CB 3.67Å; Y995-N1045 PolarHBondContact OH-ND2 3.45Å; Y995-N1046 PolarHBondContact O-ND2 3.33Å; Y995-N1046 VanDerWaalsContact O-ND2 3.09Å; Y995-N1046 PolarHBondContact O-OD1 3.08Å; Y995-L1058 HydrophobicContact CE1-CD1 4.44Å |
| 996 | M | 84.9 | Confident | 79.7 | Confident | 91 Ų | 91 | 64.8 Ų | 64.8 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -91.6 | -3.7 | -177.4 | -69.4 | -63.6 | -64.9 | 0 | 0 | 113.5 | V991 D993 P994 K999 | V991-M996 HydrophobicContact CG1-CB 3.46Å; V991-M996 VanDerWaalsContact CG1-CB 3.46Å; D993-M996 HydrophobicContact CB-CB 4.31Å; D993-M996 HydrophobicContact CB-CG 4.08Å; D993-M996 PolarHBondContact O-N 3.02Å; P994-M996 PolarHBondContact O-N 2.8Å; M996-K999 HydrophobicContact CE-CD 4.04Å |
| 997 | L | 83.2 | Confident | 80.9 | Confident | 38 Ų | 38 | 63.3 Ų | 63.3 | 20% | 0.199 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -42.3 | -177.5 | -68.7 | 174.9 | 0 | 0 | 0 | 112.6 | R986 V991 P994 K999 T1043 | R986-L997 VanDerWaalsContact NH2-CD2 3.3Å; V991-L997 HydrophobicContact CB-CD2 3.91Å; V991-L997 HydrophobicContact CG1-CD2 4.17Å; P994-L997 HydrophobicContact CB-CD1 4.48Å; P994-L997 WeakPolarHBondContact O-CB 3.42Å; P994-L997 PolarHBondContact O-N 2.89Å; L997-K999 VanDerWaalsContact C-N 3.34Å; L997-K999 PolarHBondContact O-N 3.18Å; L997-T1043 HydrophobicContact CD1-CG2 3.86Å |
| 998 | D | 88.4 | Confident | 82.4 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.011 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 12.5 | -173.8 | -56.7 | -56.6 | 0 | 0 | 0 | 113.5 | E1000 V1001 I1002 L1041 M1042 T1043 N1046 | D998-E1000 VanDerWaalsContact C-N 3.3Å; D998-E1000 PolarHBondContact O-N 3.47Å; D998-V1001 PolarHBondContact O-N 2.93Å; D998-I1002 HydrophobicContact CB-CD1 3.81Å; D998-I1002 HydrophobicContact CB-CG1 4.24Å; D998-I1002 WeakPolarHBondContact O-CD1 3.21Å; D998-I1002 VanDerWaalsContact O-CG1 3.3Å; D998-I1002 WeakPolarHBondContact O-CG1 3.24Å; D998-I1002 PolarHBondContact O-N 3.41Å; D998-L1041 HydrophobicContact CB-CD2 3.95Å; D998-M1042 VanDerWaalsContact OD1-CB 3.27Å; D998-M1042 WeakPolarHBondContact OD1-CB 3.49Å; D998-M1042 WeakPolarHBondContact OD1-CG 3.32Å; D998-M1042 PolarHBondContact OD1-N 2.87Å; D998-T1043 PolarHBondContact OD2-N 2.9Å; D998-T1043 VanDerWaalsContact OD2-N 3.14Å; D998-T1043 PolarHBondContact OD2-OG1 2.85Å; D998-N1046 HydrophobicContact CB-CB 4.29Å; D998-N1046 PolarHBondContact OD2-ND2 3.27Å |
| 999 | K | 89.6 | Confident | 83.8 | Confident | 93 Ų | 93 | 59.2 Ų | 59.2 | 40% | 0.404 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -55.3 | -42.5 | -169.8 | 74.7 | -172.8 | -179.1 | -178.4 | 0 | 112.8 | M996 L997 L1003 | M996-K999 HydrophobicContact CE-CD 4.04Å; L997-K999 VanDerWaalsContact C-N 3.34Å; L997-K999 PolarHBondContact O-N 3.18Å; K999-L1003 WeakPolarHBondContact O-CB 3.5Å; K999-L1003 WeakPolarHBondContact O-CD1 3.05Å; K999-L1003 WeakPolarHBondContact O-CG 2.93Å; K999-L1003 PolarHBondContact O-N 2.85Å |
| 1000 | E | 90.3 | Very high | 85.2 | Confident | 83 Ų | 83 | 57.4 Ų | 57.4 | 39% | 0.388 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -76.4 | -40 | -174.3 | -60.6 | -172.4 | 168.9 | 0 | 0 | 111.4 | L904 D998 L1003 C1004 | L904-E1000 HydrophobicContact CD1-CB 4.13Å; D998-E1000 VanDerWaalsContact C-N 3.3Å; D998-E1000 PolarHBondContact O-N 3.47Å; E1000-L1003 PolarHBondContact O-N 3.26Å; E1000-C1004 VanDerWaalsContact O-CB 3.32Å; E1000-C1004 WeakPolarHBondContact O-CB 3.49Å; E1000-C1004 PolarHBondContact O-N 3.36Å |
| 1001 | V | 93.1 | Very high | 86.6 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 175.9 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | L904 I982 D998 C1004 T1005 E1040 | L904-V1001 HydrophobicContact CD1-CG2 4.18Å; I982-V1001 HydrophobicContact CB-CG1 4.39Å; I982-V1001 HydrophobicContact CG2-CB 4.48Å; I982-V1001 HydrophobicContact CG2-CG1 3.82Å; D998-V1001 PolarHBondContact O-N 2.93Å; V1001-C1004 PolarHBondContact O-N 3.4Å; V1001-T1005 PolarHBondContact O-N 2.93Å; V1001-T1005 PolarHBondContact O-OG1 3.49Å; V1001-E1040 WeakPolarHBondContact CG1-O 3.36Å |
| 1002 | I | 92.2 | Very high | 87.7 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 8% | 0.082 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 179.3 | -66.4 | 164.5 | 0 | 0 | 0 | 110.1 | D998 C1004 T1005 L1006 L1041 N1046 Y1049 L1050 | D998-I1002 HydrophobicContact CB-CD1 3.81Å; D998-I1002 HydrophobicContact CB-CG1 4.24Å; D998-I1002 WeakPolarHBondContact O-CD1 3.21Å; D998-I1002 VanDerWaalsContact O-CG1 3.3Å; D998-I1002 WeakPolarHBondContact O-CG1 3.24Å; D998-I1002 PolarHBondContact O-N 3.41Å; I1002-C1004 VanDerWaalsContact C-N 3.35Å; I1002-C1004 PolarHBondContact O-N 3.29Å; I1002-T1005 WeakPolarHBondContact O-CB 3.46Å; I1002-T1005 PolarHBondContact O-N 3.03Å; I1002-L1006 HydrophobicContact CG2-CD1 3.97Å; I1002-L1006 HydrophobicContact CG2-CG 4.39Å; I1002-L1006 WeakPolarHBondContact O-CG 3.47Å; I1002-L1006 PolarHBondContact O-N 2.86Å; I1002-L1041 HydrophobicContact CG1-CD2 4.13Å; I1002-N1046 HydrophobicContact CD1-CB 4.03Å; I1002-Y1049 HydrophobicContact CD1-CD2 3.99Å; I1002-L1050 HydrophobicContact CG1-CD2 4.3Å |
| 1003 | L | 93.2 | Very high | 88.3 | Confident | 105 Ų | 105 | 46.6 Ų | 46.6 | 55% | 0.55 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.3 | -41.5 | 177.8 | -74.7 | 171.8 | 0 | 0 | 0 | 112.2 | L964 K999 E1000 L1006 N1007 | L964-L1003 HydrophobicContact CD2-CB 4.38Å; K999-L1003 WeakPolarHBondContact O-CB 3.5Å; K999-L1003 WeakPolarHBondContact O-CD1 3.05Å; K999-L1003 WeakPolarHBondContact O-CG 2.93Å; K999-L1003 PolarHBondContact O-N 2.85Å; E1000-L1003 PolarHBondContact O-N 3.26Å; L1003-L1006 PolarHBondContact O-N 3.47Å; L1003-N1007 WeakPolarHBondContact O-CB 3.46Å; L1003-N1007 PolarHBondContact O-N 2.91Å |
| 1004 | C | 94.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.6 | -45.6 | 175.4 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | L904 P963 L964 I982 E1000 V1001 I1002 L1006 N1007 I1008 | L904-C1004 HydrophobicContact CD1-CB 3.91Å; P963-C1004 PolarHBondContact O-SG 2.95Å; P963-C1004 VanDerWaalsContact O-SG 3.4Å; L964-C1004 HydrophobicContact CD2-CB 3.85Å; I982-C1004 HydrophobicContact CD1-CB 4.37Å; I982-C1004 HydrophobicContact CG2-CB 4.23Å; E1000-C1004 VanDerWaalsContact O-CB 3.32Å; E1000-C1004 WeakPolarHBondContact O-CB 3.49Å; E1000-C1004 PolarHBondContact O-N 3.36Å; V1001-C1004 PolarHBondContact O-N 3.4Å; I1002-C1004 VanDerWaalsContact C-N 3.35Å; I1002-C1004 PolarHBondContact O-N 3.29Å; C1004-L1006 PolarHBondContact O-N 3.49Å; C1004-N1007 WeakPolarHBondContact O-CB 3.32Å; C1004-N1007 PolarHBondContact O-N 2.86Å; C1004-I1008 WeakPolarHBondContact O-CG1 3.21Å; C1004-I1008 PolarHBondContact O-N 2.85Å |
| 1005 | T | 92.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.7 | -50.7 | 177.6 | -51 | 0 | 0 | 0 | 0 | 111.8 | I982 V1001 I1002 N1007 I1008 R1009 L1037 T1039 L1050 | I982-T1005 WeakPolarHBondContact CD1-OG1 3.34Å; V1001-T1005 PolarHBondContact O-N 2.93Å; V1001-T1005 PolarHBondContact O-OG1 3.49Å; I1002-T1005 WeakPolarHBondContact O-CB 3.46Å; I1002-T1005 PolarHBondContact O-N 3.03Å; T1005-N1007 VanDerWaalsContact C-N 3.29Å; T1005-N1007 PolarHBondContact O-N 3.25Å; T1005-I1008 PolarHBondContact O-N 3.16Å; T1005-R1009 WeakPolarHBondContact O-CG 3.25Å; T1005-R1009 PolarHBondContact O-N 3.49Å; T1005-L1037 HydrophobicContact CG2-CD1 4.19Å; T1005-T1039 HydrophobicContact CG2-CG2 3.62Å; T1005-T1039 WeakPolarHBondContact OG1-CG2 3.22Å; T1005-L1050 HydrophobicContact CG2-CD2 4.03Å |
| 1006 | L | 91.4 | Very high | 85.1 | Confident | 62 Ų | 62 | 52.1 Ų | 52.1 | 33% | 0.325 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.3 | -36.4 | 178.7 | -66.2 | 176.7 | 0 | 0 | 0 | 111.4 | I1002 L1003 C1004 A1010 | I1002-L1006 HydrophobicContact CG2-CD1 3.97Å; I1002-L1006 HydrophobicContact CG2-CG 4.39Å; I1002-L1006 WeakPolarHBondContact O-CG 3.47Å; I1002-L1006 PolarHBondContact O-N 2.86Å; L1003-L1006 PolarHBondContact O-N 3.47Å; C1004-L1006 PolarHBondContact O-N 3.49Å; L1006-A1010 VanDerWaalsContact O-CB 3.31Å; L1006-A1010 WeakPolarHBondContact O-CB 3.36Å; L1006-A1010 PolarHBondContact O-N 3.37Å |
| 1007 | N | 93.8 | Very high | 83 | Confident | 30 Ų | 30 | 55.2 Ų | 55.2 | 16% | 0.16 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 177.1 | -173 | 28.1 | 0 | 0 | 0 | 111.7 | L964 R966 L1003 C1004 T1005 A1010 M1011 | L964-N1007 PolarHBondContact O-ND2 3.45Å; R966-N1007 PolarHBondContact NE-OD1 3.29Å; R966-N1007 PolarHBondContact NH2-OD1 3.11Å; R966-N1007 VanDerWaalsContact NH2-OD1 3.15Å; L1003-N1007 WeakPolarHBondContact O-CB 3.46Å; L1003-N1007 PolarHBondContact O-N 2.91Å; C1004-N1007 WeakPolarHBondContact O-CB 3.32Å; C1004-N1007 PolarHBondContact O-N 2.86Å; T1005-N1007 VanDerWaalsContact C-N 3.29Å; T1005-N1007 PolarHBondContact O-N 3.25Å; N1007-A1010 PolarHBondContact O-N 2.87Å; N1007-M1011 WeakPolarHBondContact O-CG 3.41Å; N1007-M1011 PolarHBondContact O-N 2.89Å |
| 1008 | I | 92.3 | Very high | 80.6 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -49 | 177 | -68.2 | 164 | 0 | 0 | 0 | 110.1 | L969 I974 I982 C1004 T1005 A1010 M1011 G1032 I1035 L1037 | L969-I1008 HydrophobicContact CD1-CD1 4.48Å; L969-I1008 HydrophobicContact CD1-CG1 3.73Å; L969-I1008 HydrophobicContact CD2-CD1 4.35Å; L969-I1008 HydrophobicContact CD2-CG1 4.39Å; I974-I1008 HydrophobicContact CD1-CB 4.49Å; I974-I1008 HydrophobicContact CD1-CD1 3.94Å; I974-I1008 HydrophobicContact CD1-CG1 3.96Å; I974-I1008 HydrophobicContact CD1-CG2 3.69Å; I982-I1008 HydrophobicContact CD1-CD1 3.8Å; I982-I1008 HydrophobicContact CG1-CD1 4.45Å; C1004-I1008 WeakPolarHBondContact O-CG1 3.21Å; C1004-I1008 PolarHBondContact O-N 2.85Å; T1005-I1008 PolarHBondContact O-N 3.16Å; I1008-A1010 PolarHBondContact O-N 3.13Å; I1008-M1011 WeakPolarHBondContact O-CB 3.37Å; I1008-M1011 PolarHBondContact O-N 3.43Å; I1008-G1032 VanDerWaalsContact O-CA 3.32Å; I1008-G1032 WeakPolarHBondContact O-CA 3.17Å; I1008-I1035 HydrophobicContact CG2-CD1 3.93Å; I1008-L1037 HydrophobicContact CB-CD1 4.45Å; I1008-L1037 HydrophobicContact CB-CD2 4.42Å; I1008-L1037 HydrophobicContact CD1-CD2 4Å; I1008-L1037 HydrophobicContact CG2-CD1 4.11Å; I1008-L1037 HydrophobicContact CG2-CD2 3.92Å |
| 1009 | R | 88.6 | Confident | 78.1 | Confident | 44 Ų | 44 | 72.6 Ų | 72.6 | 17% | 0.166 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.8 | -32.6 | 177.8 | -74.2 | -174.3 | 173.4 | -177.4 | 4.2 | 112.9 | T1005 M1011 S1033 L1037 L1050 | T1005-R1009 WeakPolarHBondContact O-CG 3.25Å; T1005-R1009 PolarHBondContact O-N 3.49Å; R1009-M1011 VanDerWaalsContact C-N 3.34Å; R1009-S1033 PolarHBondContact O-N 3Å; R1009-L1037 HydrophobicContact CG-CD1 3.71Å; R1009-L1050 PolarHBondContact NH1-O 2.92Å |
| 1010 | A | 89.6 | Confident | 75.6 | Confident | 57 Ų | 57 | 77.7 Ų | 77.7 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -2.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1006 N1007 I1008 | L1006-A1010 VanDerWaalsContact O-CB 3.31Å; L1006-A1010 WeakPolarHBondContact O-CB 3.36Å; L1006-A1010 PolarHBondContact O-N 3.37Å; N1007-A1010 PolarHBondContact O-N 2.87Å; I1008-A1010 PolarHBondContact O-N 3.13Å |
| 1011 | M | 90.4 | Very high | 73.2 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | trans | -70.9 | 144.2 | 178 | -69.6 | 179.7 | 71.6 | 0 | 0 | 111.8 | R966 L969 R970 I974 N1007 I1008 R1009 F1013 G1032 | R966-M1011 HydrophobicContact CG-CG 4.44Å; L969-M1011 HydrophobicContact CB-CE 4.1Å; L969-M1011 HydrophobicContact CB-SD 4.11Å; L969-M1011 HydrophobicContact CD1-SD 3.78Å; R970-M1011 HydrophobicContact CG-CE 3.74Å; I974-M1011 HydrophobicContact CG2-CE 4.25Å; I974-M1011 HydrophobicContact CG2-SD 4.46Å; N1007-M1011 WeakPolarHBondContact O-CG 3.41Å; N1007-M1011 PolarHBondContact O-N 2.89Å; I1008-M1011 WeakPolarHBondContact O-CB 3.37Å; I1008-M1011 PolarHBondContact O-N 3.43Å; R1009-M1011 VanDerWaalsContact C-N 3.34Å; M1011-F1013 HydrophobicContact CB-CE2 4.34Å; M1011-F1013 HydrophobicContact CB-CZ 4.02Å; M1011-F1013 HydrophobicContact CE-CE1 3.85Å; M1011-F1013 HydrophobicContact CE-CZ 4.04Å; M1011-G1032 PolarHBondContact O-N 2.9Å | ||
| 1012 | Q | 87.3 | Confident | 70.4 | Confident | 123 Ų | 123 | 85.4 Ų | 85.4 | 58% | 0.575 | 43% | 0.425 | S | S | * | . | B | Isolated β-bridge | trans | -121.5 | 140.7 | 171.1 | -66.5 | -177.8 | -13.6 | 0 | 0 | 109.4 | R970 | R970-Q1012 PolarHBondContact NH1-O 2.81Å; R970-Q1012 PolarHBondContact NH2-O 2.84Å |
| 1013 | F | 83.2 | Confident | 68 | Low | 11 Ų | 11 | 89.4 Ų | 89.4 | 5% | 0.048 | 46% | 0.455 | C | S | . | . | trans | -112.5 | 136.1 | 179.1 | -55.1 | -75.9 | 0 | 0 | 0 | 109.2 | I974 Q975 M1011 R1030 I1035 | I974-F1013 HydrophobicContact CG2-CE1 4.01Å; I974-F1013 HydrophobicContact CG2-CZ 3.75Å; Q975-F1013 HydrophobicContact CB-CD1 3.82Å; Q975-F1013 HydrophobicContact CB-CD2 4.14Å; Q975-F1013 HydrophobicContact CB-CE1 3.85Å; Q975-F1013 HydrophobicContact CB-CE2 4.17Å; Q975-F1013 HydrophobicContact CB-CG 3.98Å; Q975-F1013 HydrophobicContact CB-CZ 4.04Å; M1011-F1013 HydrophobicContact CB-CE2 4.34Å; M1011-F1013 HydrophobicContact CB-CZ 4.02Å; M1011-F1013 HydrophobicContact CE-CE1 3.85Å; M1011-F1013 HydrophobicContact CE-CZ 4.04Å; F1013-R1030 PolarHBondContact N-O 3.44Å; F1013-R1030 VanDerWaalsContact N-O 3.11Å; F1013-I1035 HydrophobicContact CE2-CD1 3.96Å; F1013-I1035 HydrophobicContact CZ-CD1 4.04Å | ||
| 1014 | S | 68.7 | Low | 65.5 | Low | 82 Ų | 82 | 91.5 Ų | 91.5 | 57% | 0.573 | 46% | 0.461 | S | S | * | . | trans | -68.1 | 133.2 | -178.4 | 47.8 | 0 | 0 | 0 | 0 | 110.9 | F1016 | S1014-F1016 PolarHBondContact O-N 3.32Å; S1014-F1016 VanDerWaalsContact O-N 3.16Å | ||
| 1015 | P | 51.8 | Low | 63.1 | Low | 104 Ų | 104 | 97.7 Ų | 97.7 | 68% | 0.675 | 50% | 0.495 | S | S | * | . | trans | -79.9 | 92.3 | 173.7 | 30.5 | -30.5 | 0 | 0 | 0 | 108.8 | ||||
| 1016 | F | 48 | Very low | 61.1 | Low | 148 Ų | 148 | 100.5 Ų | 100.5 | 65% | 0.649 | 51% | 0.509 | S | S | * | . | trans | -147.3 | 140.2 | -178.9 | -113.6 | -88.3 | 0 | 0 | 0 | 116.1 | S1014 | S1014-F1016 PolarHBondContact O-N 3.32Å; S1014-F1016 VanDerWaalsContact O-N 3.16Å | ||
| 1017 | H | 40.3 | Very low | 59.3 | Low | 155 Ų | 155 | 101.4 Ų | 101.4 | 72% | 0.718 | 51% | 0.514 | S | S | * | . | trans | 27.9 | 126.9 | 176.9 | -73 | -40.5 | 0 | 0 | 0 | 122.9 | H1019 | H1017-H1019 PolarHBondContact O-N 2.74Š| ||
| 1018 | R | 32.7 | Very low | 57.7 | Low | 241 Ų | 241 | 104 Ų | 104 | 91% | 0.909 | 52% | 0.523 | S | S | * | . | trans | -48.2 | 105.6 | 164.7 | -87.2 | -178.7 | 176.2 | 172.1 | -1.8 | 109.9 | ||||
| 1019 | H | 37.3 | Very low | 56.7 | Low | 165 Ų | 165 | 106.2 Ų | 106.2 | 76% | 0.764 | 53% | 0.532 | S | S | * | . | trans | -85.9 | 112.7 | 149.2 | -87.4 | -80.1 | 0 | 0 | 0 | 107.3 | H1017 T1021 | H1017-H1019 PolarHBondContact O-N 2.74Å; H1019-T1021 PolarHBondContact O-N 3.43Å | ||
| 1020 | K | 36.4 | Very low | 56 | Low | 200 Ų | 200 | 111.9 Ų | 111.9 | 87% | 0.87 | 55% | 0.553 | S | S | * | * | trans | -70.1 | 86.5 | 162 | -85.5 | -178.1 | 173 | -178.8 | 0 | 106.9 | ||||
| 1021 | T | 40.7 | Very low | 55.6 | Low | 92 Ų | 92 | 110.4 Ų | 110.4 | 56% | 0.564 | 54% | 0.539 | S | S | * | . | trans | -126.7 | 107.5 | 164.8 | 50.7 | 0 | 0 | 0 | 0 | 108.1 | H1019 | H1019-T1021 PolarHBondContact O-N 3.43Š| ||
| 1022 | L | 33.7 | Very low | 55.2 | Low | 158 Ų | 158 | 110.4 Ų | 110.4 | 83% | 0.827 | 54% | 0.539 | S | S | * | . | S | Bend | trans | 18.4 | 119.2 | 157.7 | -123.9 | 65.1 | 0 | 0 | 0 | 119 | H1024 | L1022-H1024 PolarHBondContact O-N 2.9Š|
| 1023 | S | 40.9 | Very low | 54.8 | Low | 101 Ų | 101 | 107 Ų | 107 | 71% | 0.706 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 69.4 | 18.5 | 138.1 | 67.2 | 0 | 0 | 0 | 0 | 122.1 | ||
| 1024 | H | 41.6 | Very low | 54.5 | Low | 148 Ų | 148 | 109 Ų | 109 | 69% | 0.685 | 54% | 0.539 | S | S | * | . | trans | -140.7 | 120.9 | 164.9 | -72.5 | -68.8 | 0 | 0 | 0 | 113.4 | L1022 I1026 | L1022-H1024 PolarHBondContact O-N 2.9Å; H1024-I1026 HydrophobicContact CB-CD1 3.71Å; H1024-I1026 HydrophobicContact CB-CG1 3.96Å; H1024-I1026 PolarHBondContact O-N 3.17Å | ||
| 1025 | N | 44.1 | Very low | 55.3 | Low | 131 Ų | 131 | 105.1 Ų | 105.1 | 70% | 0.701 | 51% | 0.511 | S | S | * | . | trans | -72.5 | 58.6 | 173.8 | -78.1 | -18.8 | 0 | 0 | 0 | 111.7 | ||||
| 1026 | I | 51.2 | Low | 57 | Low | 58 Ų | 58 | 101.9 Ų | 101.9 | 30% | 0.297 | 49% | 0.491 | S | S | . | . | trans | -92.5 | 114.4 | -178.6 | -64.7 | 165.8 | 0 | 0 | 0 | 109.8 | N897 H1024 K1028 | N897-I1026 HydrophobicContact CB-CD1 4.01Å; H1024-I1026 HydrophobicContact CB-CD1 3.71Å; H1024-I1026 HydrophobicContact CB-CG1 3.96Å; H1024-I1026 PolarHBondContact O-N 3.17Å; I1026-K1028 PolarHBondContact O-N 3.47Å | ||
| 1027 | L | 53 | Low | 59 | Low | 81 Ų | 81 | 95.1 Ų | 95.1 | 42% | 0.424 | 46% | 0.461 | S | S | . | . | trans | -68.7 | 113 | -178.1 | -162.2 | 78.7 | 0 | 0 | 0 | 110.7 | R1029 | L1027-R1029 PolarHBondContact O-N 2.95Š| ||
| 1028 | K | 59.1 | Low | 61.6 | Low | 84 Ų | 84 | 88 Ų | 88 | 37% | 0.365 | 43% | 0.428 | S | S | . | . | trans | -71.4 | 115.1 | 174.9 | -174.1 | 173.6 | -179.6 | 179.8 | 0 | 110.2 | Y976 I1026 | Y976-K1028 HydrophobicContact CE1-CB 3.98Å; Y976-K1028 HydrophobicContact CE1-CD 4.07Å; Y976-K1028 HydrophobicContact CE1-CG 3.72Å; I1026-K1028 PolarHBondContact O-N 3.47Å | ||
| 1029 | R | 73.1 | Confident | 64.5 | Low | 47 Ų | 47 | 76.5 Ų | 76.5 | 18% | 0.177 | 39% | 0.385 | C | S | . | . | trans | -68.6 | 144.7 | 177.7 | -64.7 | -176.7 | -174.7 | 124.1 | 3 | 111.9 | S977 S978 L1027 E1034 | S977-R1029 PolarHBondContact O-NH1 3.4Å; S977-R1029 PolarHBondContact O-NH2 2.91Å; S978-R1029 PolarHBondContact O-NH2 2.92Å; L1027-R1029 PolarHBondContact O-N 2.95Å; R1029-E1034 VanDerWaalsContact CA-OE2 3.29Å; R1029-E1034 WeakPolarHBondContact CA-OE2 3.03Å; R1029-E1034 HydrophobicContact CB-CB 4.2Å; R1029-E1034 WeakPolarHBondContact CB-OE2 3.49Å; R1029-E1034 WeakPolarHBondContact CD-O 3.47Å; R1029-E1034 HydrophobicContact CG-CB 4.07Å; R1029-E1034 PolarHBondContact NE-O 3.49Å; R1029-E1034 VanDerWaalsContact NE-O 3.16Å | ||
| 1030 | R | 72.8 | Confident | 67.1 | Low | 164 Ų | 164 | 68.9 Ų | 68.9 | 62% | 0.619 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -96.6 | -32.9 | -178.6 | -65.8 | -178.2 | 179.9 | -172.2 | -0.6 | 112.2 | F1013 E1034 | F1013-R1030 PolarHBondContact N-O 3.44Å; F1013-R1030 VanDerWaalsContact N-O 3.11Å; R1030-E1034 PolarHBondContact N-OE2 3.38Å |
| 1031 | S | 81.5 | Confident | 69.7 | Low | 25 Ų | 25 | 59.4 Ų | 59.4 | 18% | 0.175 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -124.9 | 150.1 | -179 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | S1033 E1034 | S1031-S1033 PolarHBondContact O-N 3.04Å; S1031-S1033 PolarHBondContact OG-N 3.44Å; S1031-S1033 PolarHBondContact OG-OG 3.45Å; S1031-E1034 WeakPolarHBondContact O-CB 3.28Å; S1031-E1034 PolarHBondContact O-N 2.89Å; S1031-E1034 VanDerWaalsContact O-N 3.12Å |
| 1032 | G | 82.3 | Confident | 71.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -65.6 | -22.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1008 M1011 E1034 I1035 | I1008-G1032 VanDerWaalsContact O-CA 3.32Å; I1008-G1032 WeakPolarHBondContact O-CA 3.17Å; M1011-G1032 PolarHBondContact O-N 2.9Å; G1032-E1034 PolarHBondContact O-N 2.99Å; G1032-I1035 WeakPolarHBondContact O-CB 3.43Å; G1032-I1035 PolarHBondContact O-N 3.1Å |
| 1033 | S | 79.5 | Confident | 74.1 | Confident | 53 Ų | 53 | 49.9 Ų | 49.9 | 37% | 0.371 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -70.4 | -4.1 | 171.1 | 68.1 | 0 | 0 | 0 | 0 | 113.7 | R1009 S1031 L1318 | R1009-S1033 PolarHBondContact O-N 3Å; S1031-S1033 PolarHBondContact O-N 3.04Å; S1031-S1033 PolarHBondContact OG-N 3.44Å; S1031-S1033 PolarHBondContact OG-OG 3.45Å; S1033-L1318 WeakPolarHBondContact O-CD1 3.27Å; S1033-L1318 WeakPolarHBondContact O-CG 3.36Å |
| 1034 | E | 77 | Confident | 76.1 | Confident | 52 Ų | 52 | 47.4 Ų | 47.4 | 24% | 0.243 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -93.9 | -9.4 | 173.3 | -64.5 | 165.1 | -170.6 | 0 | 0 | 111.3 | R1029 R1030 S1031 G1032 P1036 | R1029-E1034 VanDerWaalsContact CA-OE2 3.29Å; R1029-E1034 WeakPolarHBondContact CA-OE2 3.03Å; R1029-E1034 HydrophobicContact CB-CB 4.2Å; R1029-E1034 WeakPolarHBondContact CB-OE2 3.49Å; R1029-E1034 WeakPolarHBondContact CD-O 3.47Å; R1029-E1034 HydrophobicContact CG-CB 4.07Å; R1029-E1034 PolarHBondContact NE-O 3.49Å; R1029-E1034 VanDerWaalsContact NE-O 3.16Å; R1030-E1034 PolarHBondContact N-OE2 3.38Å; S1031-E1034 WeakPolarHBondContact O-CB 3.28Å; S1031-E1034 PolarHBondContact O-N 2.89Å; S1031-E1034 VanDerWaalsContact O-N 3.12Å; G1032-E1034 PolarHBondContact O-N 2.99Å; E1034-P1036 WeakPolarHBondContact O-CD 3.23Å |
| 1035 | I | 85.2 | Confident | 78 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -80.3 | 123.7 | -176.7 | -58.9 | 166.6 | 0 | 0 | 0 | 108.8 | I974 C980 I1008 F1013 G1032 L1037 | I974-I1035 HydrophobicContact CD1-CD1 4.18Å; I974-I1035 HydrophobicContact CG1-CD1 4.01Å; I974-I1035 HydrophobicContact CG1-CG2 4.42Å; I974-I1035 HydrophobicContact CG2-CD1 4.31Å; C980-I1035 HydrophobicContact CB-CG2 4.18Å; I1008-I1035 HydrophobicContact CG2-CD1 3.93Å; F1013-I1035 HydrophobicContact CE2-CD1 3.96Å; F1013-I1035 HydrophobicContact CZ-CD1 4.04Å; G1032-I1035 WeakPolarHBondContact O-CB 3.43Å; G1032-I1035 PolarHBondContact O-N 3.1Å; I1035-L1037 HydrophobicContact CG2-CD2 4.37Å; I1035-L1037 HydrophobicContact CG2-CG 4.5Å; I1035-L1037 PolarHBondContact O-N 2.94Å |
| 1036 | P | 87.3 | Confident | 80.1 | Confident | 37 Ų | 37 | 37.8 Ų | 37.8 | 24% | 0.24 | 19% | 0.187 | C | C | . | . | trans | -63.7 | 119.8 | 171.2 | -21.7 | 34.5 | 0 | 0 | 0 | 110 | S978 V979 C980 E1034 | S978-P1036 WeakPolarHBondContact O-CG 3.29Å; V979-P1036 HydrophobicContact CG2-CB 4.33Å; C980-P1036 PolarHBondContact N-O 2.95Å; E1034-P1036 WeakPolarHBondContact O-CD 3.23Å | ||
| 1037 | L | 90.5 | Very high | 81.7 | Confident | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 138.2 | -178.3 | -68.6 | 163.1 | 0 | 0 | 0 | 109.4 | C980 I982 T1005 I1008 R1009 I1035 | C980-L1037 HydrophobicContact CB-CD2 3.74Å; C980-L1037 WeakPolarHBondContact O-CA 3.47Å; I982-L1037 HydrophobicContact CD1-CD2 4.28Å; T1005-L1037 HydrophobicContact CG2-CD1 4.19Å; I1008-L1037 HydrophobicContact CB-CD1 4.45Å; I1008-L1037 HydrophobicContact CB-CD2 4.42Å; I1008-L1037 HydrophobicContact CD1-CD2 4Å; I1008-L1037 HydrophobicContact CG2-CD1 4.11Å; I1008-L1037 HydrophobicContact CG2-CD2 3.92Å; R1009-L1037 HydrophobicContact CG-CD1 3.71Å; I1035-L1037 HydrophobicContact CG2-CD2 4.37Å; I1035-L1037 HydrophobicContact CG2-CG 4.5Å; I1035-L1037 PolarHBondContact O-N 2.94Å |
| 1038 | I | 93.5 | Very high | 83 | Confident | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 122.3 | 168.9 | -51.3 | 171 | 0 | 0 | 0 | 107.1 | L427 V979 C980 V981 I982 I1072 | L427-I1038 HydrophobicContact CD2-CG2 3.4Å; L427-I1038 VanDerWaalsContact CD2-CG2 3.4Å; V979-I1038 HydrophobicContact CG1-CD1 3.64Å; V979-I1038 HydrophobicContact CG1-CG1 3.95Å; C980-I1038 PolarHBondContact O-N 3.03Å; V981-I1038 CarbonylContact C-O 3.56Å; V981-I1038 WeakPolarHBondContact CA-O 3.35Å; V981-I1038 HydrophobicContact CG2-CB 4.47Å; V981-I1038 HydrophobicContact CG2-CD1 4.43Å; I982-I1038 PolarHBondContact N-O 2.68Å; I1038-I1072 CarbonylContact C-O 3.57Å; I1038-I1072 WeakPolarHBondContact CA-O 3.35Å |
| 1039 | T | 93.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 119.7 | -171.6 | 61.2 | 0 | 0 | 0 | 0 | 109.6 | I982 T1005 L1050 I1072 A1073 F1074 | I982-T1039 HydrophobicContact CB-CG2 4.48Å; I982-T1039 HydrophobicContact CD1-CG2 4.11Å; I982-T1039 HydrophobicContact CG1-CG2 4.5Å; T1005-T1039 HydrophobicContact CG2-CG2 3.62Å; T1005-T1039 WeakPolarHBondContact OG1-CG2 3.22Å; T1039-L1050 VanDerWaalsContact OG1-CD1 3.29Å; T1039-L1050 WeakPolarHBondContact OG1-CD1 3.47Å; T1039-I1072 PolarHBondContact N-O 3.47Å; T1039-I1072 PolarHBondContact OG1-O 3.04Å; T1039-I1072 VanDerWaalsContact OG1-O 3.07Å; T1039-A1073 WeakPolarHBondContact O-CA 3.26Å; T1039-F1074 PolarHBondContact O-N 3.21Å |
| 1040 | E | 92.8 | Very high | 84.8 | Confident | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 129.1 | 171.4 | -176.4 | -167.5 | 161.4 | 0 | 0 | 110.3 | K423 I982 L983 V1001 F1074 | K423-E1040 HydrophobicContact CD-CG 4.21Å; K423-E1040 VanDerWaalsContact CD-OE1 3.24Å; K423-E1040 WeakPolarHBondContact CD-OE1 3.24Å; K423-E1040 WeakPolarHBondContact CE-OE1 3.28Å; K423-E1040 VanDerWaalsContact NZ-CD 3.3Å; K423-E1040 IonicContact NZ-OE1 3.46Å; K423-E1040 PolarHBondContact NZ-OE1 3.23Å; K423-E1040 IonicContact NZ-OE2 2.78Å; K423-E1040 PolarHBondContact NZ-OE2 3.33Å; I982-E1040 PolarHBondContact O-N 3.49Å; I982-E1040 VanDerWaalsContact O-N 3.1Å; L983-E1040 HydrophobicContact CD2-CB 4.33Å; L983-E1040 WeakPolarHBondContact CD2-OE2 3.33Å; V1001-E1040 WeakPolarHBondContact CG1-O 3.36Å; E1040-F1074 CarbonylContact C-O 3.32Å; E1040-F1074 WeakPolarHBondContact CA-O 3.49Å |
| 1041 | L | 90 | Very high | 84.8 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.7 | 171.4 | -64.1 | 176.8 | 0 | 0 | 0 | 110.3 | D998 I1002 I1047 L1050 A1073 F1074 T1075 S1076 | D998-L1041 HydrophobicContact CB-CD2 3.95Å; I1002-L1041 HydrophobicContact CG1-CD2 4.13Å; L1041-I1047 HydrophobicContact CD1-CB 3.82Å; L1041-I1047 HydrophobicContact CD1-CD1 4.47Å; L1041-I1047 HydrophobicContact CD1-CG1 3.91Å; L1041-L1050 HydrophobicContact CD1-CD1 3.78Å; L1041-L1050 HydrophobicContact CD1-CG 4.48Å; L1041-L1050 HydrophobicContact CG-CD1 4.36Å; L1041-A1073 HydrophobicContact CD1-CB 4.31Å; L1041-F1074 PolarHBondContact N-O 3.17Å; L1041-T1075 HydrophobicContact CB-CG2 4.23Å; L1041-T1075 WeakPolarHBondContact O-CA 3.23Å; L1041-S1076 PolarHBondContact O-N 3.46Å; L1041-S1076 VanDerWaalsContact O-N 3.12Å |
| 1042 | M | 84.8 | Confident | 83.9 | Confident | 33 Ų | 33 | 29.2 Ų | 29.2 | 16% | 0.163 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -76.3 | -34.3 | 173.3 | -60.2 | -162.2 | 78.7 | 0 | 0 | 111.9 | R986 D998 | R986-M1042 VanDerWaalsContact CD-CE 3.43Å; R986-M1042 HydrophobicContact CG-CE 3.67Å; R986-M1042 HydrophobicContact CG-SD 3.73Å; D998-M1042 VanDerWaalsContact OD1-CB 3.27Å; D998-M1042 WeakPolarHBondContact OD1-CB 3.49Å; D998-M1042 WeakPolarHBondContact OD1-CG 3.32Å; D998-M1042 PolarHBondContact OD1-N 2.87Å |
| 1043 | T | 82.1 | Confident | 82.8 | Confident | 18 Ų | 18 | 34.3 Ų | 34.3 | 11% | 0.11 | 18% | 0.184 | C | C | . | . | trans | -120.9 | 132.9 | -176.4 | 64.8 | 0 | 0 | 0 | 0 | 112.8 | P994 L997 D998 N1045 N1046 | P994-T1043 HydrophobicContact CB-CG2 4.34Å; L997-T1043 HydrophobicContact CD1-CG2 3.86Å; D998-T1043 PolarHBondContact OD2-N 2.9Å; D998-T1043 VanDerWaalsContact OD2-N 3.14Å; D998-T1043 PolarHBondContact OD2-OG1 2.85Å; T1043-N1045 PolarHBondContact O-N 3.04Å; T1043-N1046 PolarHBondContact O-N 3.13Å; T1043-N1046 WeakPolarHBondContact OG1-CB 3.38Å; T1043-N1046 PolarHBondContact OG1-ND2 2.97Å | ||
| 1044 | D | 83.3 | Confident | 81.7 | Confident | 49 Ų | 49 | 35.2 Ų | 35.2 | 26% | 0.262 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -59.6 | -38 | 177.9 | -69.1 | -8.2 | 0 | 0 | 0 | 112.4 | N1046 I1047 A1062 T1075 S1077 | D1044-N1046 PolarHBondContact O-N 3.45Å; D1044-N1046 VanDerWaalsContact O-N 3.08Å; D1044-I1047 WeakPolarHBondContact O-CB 3.31Å; D1044-I1047 WeakPolarHBondContact O-CG2 3.22Å; D1044-I1047 PolarHBondContact O-N 2.67Å; D1044-A1062 HydrophobicContact CB-CB 3.87Å; D1044-T1075 WeakPolarHBondContact OD1-CB 3.41Å; D1044-T1075 WeakPolarHBondContact OD1-CG2 3.41Å; D1044-T1075 PolarHBondContact OD1-OG1 3.28Å; D1044-S1077 WeakPolarHBondContact OD1-CB 3.4Å; D1044-S1077 PolarHBondContact OD1-OG 2.94Å; D1044-S1077 WeakPolarHBondContact OD2-CB 3.26Å; D1044-S1077 PolarHBondContact OD2-OG 3.12Å |
| 1045 | N | 82.1 | Confident | 80.3 | Confident | 76 Ų | 76 | 37.6 Ų | 37.6 | 41% | 0.406 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -66.8 | -10.1 | -177 | -70 | -11 | 0 | 0 | 0 | 113.8 | Y995 T1043 H1048 | Y995-N1045 HydrophobicContact CD1-CB 4.3Å; Y995-N1045 HydrophobicContact CE1-CB 3.67Å; Y995-N1045 PolarHBondContact OH-ND2 3.45Å; T1043-N1045 PolarHBondContact O-N 3.04Å; N1045-H1048 PolarHBondContact O-CE1 3.23Å; N1045-H1048 PolarHBondContact O-ND1 3.16Å |
| 1046 | N | 86.7 | Confident | 78.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -96.4 | -5.3 | -179.9 | -80.7 | -14 | 0 | 0 | 0 | 113.1 | Y995 D998 I1002 T1043 D1044 H1048 Y1049 | Y995-N1046 PolarHBondContact O-ND2 3.33Å; Y995-N1046 VanDerWaalsContact O-ND2 3.09Å; Y995-N1046 PolarHBondContact O-OD1 3.08Å; D998-N1046 HydrophobicContact CB-CB 4.29Å; D998-N1046 PolarHBondContact OD2-ND2 3.27Å; I1002-N1046 HydrophobicContact CD1-CB 4.03Å; T1043-N1046 PolarHBondContact O-N 3.13Å; T1043-N1046 WeakPolarHBondContact OG1-CB 3.38Å; T1043-N1046 PolarHBondContact OG1-ND2 2.97Å; D1044-N1046 PolarHBondContact O-N 3.45Å; D1044-N1046 VanDerWaalsContact O-N 3.08Å; N1046-H1048 VanDerWaalsContact C-N 3.27Å; N1046-H1048 PolarHBondContact O-N 3.17Å; N1046-Y1049 HydrophobicContact CB-CD2 4.24Å; N1046-Y1049 VanDerWaalsContact O-CD2 3.32Å; N1046-Y1049 WeakPolarHBondContact O-CD2 3.44Å; N1046-Y1049 PolarHBondContact O-N 3.31Å |
| 1047 | I | 86.1 | Confident | 76.9 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -63.1 | -29.9 | -174.4 | -163.1 | 159 | 0 | 0 | 0 | 113.7 | L1041 D1044 Y1049 L1050 A1062 T1065 P1067 F1068 A1073 T1075 | L1041-I1047 HydrophobicContact CD1-CB 3.82Å; L1041-I1047 HydrophobicContact CD1-CD1 4.47Å; L1041-I1047 HydrophobicContact CD1-CG1 3.91Å; D1044-I1047 WeakPolarHBondContact O-CB 3.31Å; D1044-I1047 WeakPolarHBondContact O-CG2 3.22Å; D1044-I1047 PolarHBondContact O-N 2.67Å; I1047-Y1049 PolarHBondContact O-N 3.2Å; I1047-L1050 WeakPolarHBondContact O-CB 3.41Å; I1047-L1050 PolarHBondContact O-N 3.3Å; I1047-A1062 HydrophobicContact CD1-CB 4.33Å; I1047-T1065 WeakPolarHBondContact CD1-OG1 3.39Å; I1047-T1065 HydrophobicContact CG2-CG2 3.76Å; I1047-P1067 HydrophobicContact CD1-CB 4.45Å; I1047-P1067 HydrophobicContact CG1-CB 3.98Å; I1047-P1067 HydrophobicContact CG1-CG 4.18Å; I1047-F1068 HydrophobicContact CD1-CB 3.95Å; I1047-A1073 HydrophobicContact CD1-CB 3.66Å; I1047-A1073 HydrophobicContact CG1-CB 3.92Å; I1047-T1075 HydrophobicContact CD1-CG2 4.16Å |
| 1048 | H | 80.1 | Confident | 75.2 | Confident | 57 Ų | 57 | 44.7 Ų | 44.7 | 26% | 0.264 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -67.8 | -19.1 | -178.8 | 65 | -77.6 | 0 | 0 | 0 | 113.2 | N1045 N1046 L1050 | N1045-H1048 PolarHBondContact O-CE1 3.23Å; N1045-H1048 PolarHBondContact O-ND1 3.16Å; N1046-H1048 VanDerWaalsContact C-N 3.27Å; N1046-H1048 PolarHBondContact O-N 3.17Å; H1048-L1050 PolarHBondContact O-N 3.4Å |
| 1049 | Y | 84.8 | Confident | 73.6 | Confident | 106 Ų | 106 | 52.2 Ų | 52.2 | 42% | 0.416 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -73.3 | -15.9 | 176.3 | -61.2 | -59.6 | 0 | 0 | 0 | 113.4 | I1002 N1046 I1047 | I1002-Y1049 HydrophobicContact CD1-CD2 3.99Å; N1046-Y1049 HydrophobicContact CB-CD2 4.24Å; N1046-Y1049 VanDerWaalsContact O-CD2 3.32Å; N1046-Y1049 WeakPolarHBondContact O-CD2 3.44Å; N1046-Y1049 PolarHBondContact O-N 3.31Å; I1047-Y1049 PolarHBondContact O-N 3.2Å |
| 1050 | L | 84.2 | Confident | 72.3 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -77.8 | -25.1 | 179.4 | -63.2 | 178.8 | 0 | 0 | 0 | 113.1 | I1002 T1005 R1009 T1039 L1041 I1047 H1048 P1067 A1073 | I1002-L1050 HydrophobicContact CG1-CD2 4.3Å; T1005-L1050 HydrophobicContact CG2-CD2 4.03Å; R1009-L1050 PolarHBondContact NH1-O 2.92Å; T1039-L1050 VanDerWaalsContact OG1-CD1 3.29Å; T1039-L1050 WeakPolarHBondContact OG1-CD1 3.47Å; L1041-L1050 HydrophobicContact CD1-CD1 3.78Å; L1041-L1050 HydrophobicContact CD1-CG 4.48Å; L1041-L1050 HydrophobicContact CG-CD1 4.36Å; I1047-L1050 WeakPolarHBondContact O-CB 3.41Å; I1047-L1050 PolarHBondContact O-N 3.3Å; H1048-L1050 PolarHBondContact O-N 3.4Å; L1050-P1067 HydrophobicContact CB-CB 4.25Å; L1050-P1067 HydrophobicContact CB-CG 4.18Å; L1050-P1067 HydrophobicContact CD1-CB 4.27Å; L1050-A1073 HydrophobicContact CD1-CB 3.66Å |
| 1051 | D | 72.8 | Confident | 71.2 | Confident | 12 Ų | 12 | 58.2 Ų | 58.2 | 6% | 0.064 | 33% | 0.333 | C | S | . | . | trans | -135 | 93.1 | 179.2 | -160.1 | -14.3 | 0 | 0 | 0 | 110.5 | D1053 H1054 P1067 K1070 | D1051-D1053 PolarHBondContact O-N 2.91Å; D1051-D1053 VanDerWaalsContact O-N 3.15Å; D1051-H1054 PolarHBondContact O-N 3.47Å; D1051-H1054 IonicContact OD2-CD2 2.72Å; D1051-P1067 HydrophobicContact CB-CG 3.91Å; D1051-K1070 IonicContact OD2-NZ 2.93Å; D1051-K1070 PolarHBondContact OD2-NZ 3.49Å | ||
| 1052 | P | 63.1 | Low | 70.6 | Confident | 98 Ų | 98 | 58.5 Ų | 58.5 | 64% | 0.636 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -14.4 | -174.3 | 27.9 | -34.6 | 0 | 0 | 0 | 113.5 | H1054 | P1052-H1054 PolarHBondContact O-N 3.42Š|
| 1053 | D | 58.6 | Low | 70.2 | Confident | 108 Ų | 108 | 57.6 Ų | 57.6 | 58% | 0.578 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -16.9 | 178.3 | -65.6 | -22.6 | 0 | 0 | 0 | 111.8 | D1051 | D1051-D1053 PolarHBondContact O-N 2.91Å; D1051-D1053 VanDerWaalsContact O-N 3.15Å |
| 1054 | H | 57.4 | Low | 69.9 | Low | 72 Ų | 72 | 59 Ų | 59 | 33% | 0.333 | 34% | 0.339 | S | S | . | . | trans | -100.4 | 94.8 | 174.7 | -73.3 | -68.1 | 0 | 0 | 0 | 111.2 | D1051 P1052 G1056 A1066 | D1051-H1054 PolarHBondContact O-N 3.47Å; D1051-H1054 IonicContact OD2-CD2 2.72Å; P1052-H1054 PolarHBondContact O-N 3.42Å; H1054-G1056 PolarHBondContact O-N 3.24Å; H1054-A1066 WeakPolarHBondContact CD2-CB 3.19Å; H1054-A1066 VanDerWaalsContact NE2-CB 3.25Å; H1054-A1066 WeakPolarHBondContact NE2-CB 3.3Å | ||
| 1055 | S | 47.8 | Very low | 69.7 | Low | 101 Ų | 101 | 57.8 Ų | 57.8 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | trans | -74.4 | 45.3 | 171.4 | 56.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 1056 | G | 49.8 | Very low | 69.6 | Low | 38 Ų | 38 | 54.4 Ų | 54.4 | 39% | 0.392 | 32% | 0.316 | S | S | . | . | trans | -70 | 128.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | H1054 | H1054-G1056 PolarHBondContact O-N 3.24Š| ||
| 1057 | G | 50.9 | Low | 69.5 | Low | 44 Ų | 44 | 54.7 Ų | 54.7 | 45% | 0.454 | 32% | 0.318 | S | S | . | . | trans | -62.8 | 155.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1059 I1060 | G1057-Q1059 PolarHBondContact O-N 2.99Å; G1057-I1060 PolarHBondContact O-N 3.48Å | ||
| 1058 | L | 54.8 | Low | 69.6 | Low | 109 Ų | 109 | 54.4 Ų | 54.4 | 57% | 0.571 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 12.8 | -174.6 | -144 | 81.8 | 0 | 0 | 0 | 116.3 | Y995 | Y995-L1058 HydrophobicContact CE1-CD1 4.44Š|
| 1059 | Q | 59.7 | Low | 69.9 | Low | 163 Ų | 163 | 51.7 Ų | 51.7 | 76% | 0.762 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | 4.3 | -170.6 | -66.2 | -173.5 | -5.8 | 0 | 0 | 114 | G1057 | G1057-Q1059 PolarHBondContact O-N 2.99Š|
| 1060 | I | 66.6 | Low | 69.9 | Low | 78 Ų | 78 | 47.5 Ų | 47.5 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -86.1 | 133.6 | 177 | -58.2 | 172.9 | 0 | 0 | 0 | 108.6 | G1057 L1064 T1065 | G1057-I1060 PolarHBondContact O-N 3.48Å; I1060-L1064 HydrophobicContact CG2-CB 3.71Å; I1060-T1065 HydrophobicContact CG2-CG2 4.33Å |
| 1061 | A | 70.3 | Confident | 70.1 | Confident | 54 Ų | 54 | 47.8 Ų | 47.8 | 45% | 0.446 | 29% | 0.29 | S | S | . | . | trans | -58.5 | 142.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1063 L1064 | A1061-S1063 PolarHBondContact O-N 2.85Å; A1061-S1063 VanDerWaalsContact O-N 3.13Å; A1061-L1064 PolarHBondContact O-N 3.36Å | ||
| 1062 | A | 76.9 | Confident | 70.9 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -53.6 | -37.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1044 I1047 L1064 T1065 F1068 T1075 | D1044-A1062 HydrophobicContact CB-CB 3.87Å; I1047-A1062 HydrophobicContact CD1-CB 4.33Å; A1062-L1064 PolarHBondContact O-N 2.95Å; A1062-T1065 WeakPolarHBondContact O-CB 3.12Å; A1062-T1065 PolarHBondContact O-N 3.13Å; A1062-T1065 VanDerWaalsContact O-N 3.12Å; A1062-T1065 PolarHBondContact O-OG1 3.45Å; A1062-F1068 WeakPolarHBondContact O-CB 3.46Å; A1062-T1075 HydrophobicContact CB-CG2 4.08Å |
| 1063 | S | 76.4 | Confident | 72.2 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -60.3 | -31.1 | 179.6 | 65 | 0 | 0 | 0 | 0 | 113.3 | H447 Y588 A1061 T1065 F1068 | H447-S1063 PolarHBondContact CE1-OG 2.98Å; H447-S1063 VanDerWaalsContact CE1-OG 3.25Å; H447-S1063 PolarHBondContact NE2-OG 2.99Å; H447-S1063 VanDerWaalsContact NE2-OG 3.13Å; Y588-S1063 WeakPolarHBondContact CE1-O 3.48Å; Y588-S1063 PolarHBondContact OH-O 3.29Å; A1061-S1063 PolarHBondContact O-N 2.85Å; A1061-S1063 VanDerWaalsContact O-N 3.13Å; S1063-T1065 VanDerWaalsContact C-N 3.29Å; S1063-T1065 PolarHBondContact O-N 2.88Å; S1063-F1068 VanDerWaalsContact CA-CD1 3.4Å; S1063-F1068 VanDerWaalsContact O-CD1 3.26Å; S1063-F1068 WeakPolarHBondContact O-CD1 3.43Å |
| 1064 | L | 75.7 | Confident | 73.8 | Confident | 48 Ų | 48 | 37.8 Ų | 37.8 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -86.4 | 1.3 | -177.9 | -57.7 | 180 | 0 | 0 | 0 | 113.5 | L452 A455 L589 I1060 A1061 A1062 | L452-L1064 HydrophobicContact CD2-CD2 3.91Å; A455-L1064 HydrophobicContact CB-CD1 4.16Å; L589-L1064 HydrophobicContact CD2-CD2 3.51Å; I1060-L1064 HydrophobicContact CG2-CB 3.71Å; A1061-L1064 PolarHBondContact O-N 3.36Å; A1062-L1064 PolarHBondContact O-N 2.95Å |
| 1065 | T | 78.9 | Confident | 75.3 | Confident | 23 Ų | 23 | 34.4 Ų | 34.4 | 14% | 0.141 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -86.5 | 149.2 | -179.1 | 69.8 | 0 | 0 | 0 | 0 | 111.6 | I1047 I1060 A1062 S1063 F1068 A1069 | I1047-T1065 WeakPolarHBondContact CD1-OG1 3.39Å; I1047-T1065 HydrophobicContact CG2-CG2 3.76Å; I1060-T1065 HydrophobicContact CG2-CG2 4.33Å; A1062-T1065 WeakPolarHBondContact O-CB 3.12Å; A1062-T1065 PolarHBondContact O-N 3.13Å; A1062-T1065 VanDerWaalsContact O-N 3.12Å; A1062-T1065 PolarHBondContact O-OG1 3.45Å; S1063-T1065 VanDerWaalsContact C-N 3.29Å; S1063-T1065 PolarHBondContact O-N 2.88Å; T1065-F1068 PolarHBondContact O-N 2.92Å; T1065-A1069 PolarHBondContact O-N 3.12Å |
| 1066 | A | 79.4 | Confident | 77 | Confident | 6 Ų | 6 | 30 Ų | 30 | 5% | 0.05 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.6 | -41.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | W584 H1054 F1068 A1069 K1070 | W584-A1066 HydrophobicContact CH2-CB 4.04Å; W584-A1066 HydrophobicContact CZ2-CB 4.47Å; H1054-A1066 WeakPolarHBondContact CD2-CB 3.19Å; H1054-A1066 VanDerWaalsContact NE2-CB 3.25Å; H1054-A1066 WeakPolarHBondContact NE2-CB 3.3Å; A1066-F1068 PolarHBondContact O-N 2.7Å; A1066-A1069 PolarHBondContact O-N 2.68Å; A1066-K1070 VanDerWaalsContact O-CB 3.32Å; A1066-K1070 WeakPolarHBondContact O-CB 3.44Å; A1066-K1070 WeakPolarHBondContact O-CG 3.35Å; A1066-K1070 PolarHBondContact O-N 3.49Å |
| 1067 | P | 85.6 | Confident | 78.5 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.032 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.3 | -36 | 177.2 | -24 | 34.5 | 0 | 0 | 0 | 113.1 | I1047 L1050 D1051 G1071 I1072 A1073 | I1047-P1067 HydrophobicContact CD1-CB 4.45Å; I1047-P1067 HydrophobicContact CG1-CB 3.98Å; I1047-P1067 HydrophobicContact CG1-CG 4.18Å; L1050-P1067 HydrophobicContact CB-CB 4.25Å; L1050-P1067 HydrophobicContact CB-CG 4.18Å; L1050-P1067 HydrophobicContact CD1-CB 4.27Å; D1051-P1067 HydrophobicContact CB-CG 3.91Å; P1067-G1071 PolarHBondContact O-N 3.41Å; P1067-I1072 PolarHBondContact O-N 3.11Å; P1067-A1073 HydrophobicContact CB-CB 3.91Å; P1067-A1073 PolarHBondContact O-N 3.38Å; P1067-A1073 VanDerWaalsContact O-N 3.11Å |
| 1068 | F | 87.9 | Confident | 80 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.8 | -49.2 | 175.5 | -171.1 | -88.4 | 0 | 0 | 0 | 111.5 | T438 T441 Y588 I1047 A1062 S1063 T1065 A1066 K1070 G1071 V1078 | T438-F1068 HydrophobicContact CG2-CD1 3.88Å; T438-F1068 HydrophobicContact CG2-CE1 3.74Å; T438-F1068 WeakPolarHBondContact CG2-O 3.27Å; T438-F1068 PolarHBondContact OG1-O 3.17Å; T441-F1068 HydrophobicContact CG2-CE1 4.43Å; T441-F1068 HydrophobicContact CG2-CE2 4.44Å; T441-F1068 HydrophobicContact CG2-CZ 3.58Å; Y588-F1068 WeakPolarHBondContact OH-CD1 3.35Å; I1047-F1068 HydrophobicContact CD1-CB 3.95Å; A1062-F1068 WeakPolarHBondContact O-CB 3.46Å; S1063-F1068 VanDerWaalsContact CA-CD1 3.4Å; S1063-F1068 VanDerWaalsContact O-CD1 3.26Å; S1063-F1068 WeakPolarHBondContact O-CD1 3.43Å; T1065-F1068 PolarHBondContact O-N 2.92Å; A1066-F1068 PolarHBondContact O-N 2.7Å; F1068-K1070 PolarHBondContact O-N 2.71Å; F1068-G1071 PolarHBondContact O-N 3.08Å; F1068-V1078 HydrophobicContact CE2-CG2 4.15Å; F1068-V1078 HydrophobicContact CZ-CG2 4.43Å |
| 1069 | A | 85.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.9 | -31.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W584 Y588 T1065 A1066 G1071 Y1321 V1322 | W584-A1069 HydrophobicContact CZ3-CB 3.97Å; Y588-A1069 HydrophobicContact CD1-CB 4.09Å; Y588-A1069 HydrophobicContact CD2-CB 3.6Å; Y588-A1069 HydrophobicContact CE1-CB 3.94Å; Y588-A1069 HydrophobicContact CE2-CB 3.47Å; Y588-A1069 VanDerWaalsContact CE2-CB 3.47Å; Y588-A1069 HydrophobicContact CG-CB 3.94Å; T1065-A1069 PolarHBondContact O-N 3.12Å; A1066-A1069 PolarHBondContact O-N 2.68Å; A1069-G1071 VanDerWaalsContact C-N 3.3Å; A1069-Y1321 WeakPolarHBondContact O-CA 3.42Å; A1069-V1322 PolarHBondContact O-N 3.43Å; A1069-V1322 VanDerWaalsContact O-N 3.1Å |
| 1070 | K | 86.1 | Confident | 82.6 | Confident | 18 Ų | 18 | 15.8 Ų | 15.8 | 8% | 0.078 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -9.2 | 174.4 | -66.7 | 173.2 | -176.4 | -179.7 | 0 | 113.7 | D1051 A1066 F1068 I1072 Y1202 N1319 R1320 | D1051-K1070 IonicContact OD2-NZ 2.93Å; D1051-K1070 PolarHBondContact OD2-NZ 3.49Å; A1066-K1070 VanDerWaalsContact O-CB 3.32Å; A1066-K1070 WeakPolarHBondContact O-CB 3.44Å; A1066-K1070 WeakPolarHBondContact O-CG 3.35Å; A1066-K1070 PolarHBondContact O-N 3.49Å; F1068-K1070 PolarHBondContact O-N 2.71Å; K1070-I1072 VanDerWaalsContact C-N 3.3Å; K1070-I1072 HydrophobicContact CB-CD1 3.84Å; K1070-I1072 HydrophobicContact CB-CG1 3.9Å; K1070-I1072 HydrophobicContact CD-CD1 3.97Å; K1070-I1072 PolarHBondContact O-N 2.9Å; K1070-Y1202 PolarHBondContact O-OH 3.36Å; K1070-Y1202 VanDerWaalsContact O-OH 3.05Å; K1070-N1319 WeakPolarHBondContact CE-OD1 3.45Å; K1070-N1319 PolarHBondContact NZ-OD1 3.21Å; K1070-R1320 VanDerWaalsContact CA-O 3.24Å; K1070-R1320 WeakPolarHBondContact CA-O 3.17Å; K1070-R1320 WeakPolarHBondContact CB-O 3.44Å; K1070-R1320 VanDerWaalsContact CG-O 3.29Å; K1070-R1320 WeakPolarHBondContact CG-O 3.45Å |
| 1071 | G | 88.4 | Confident | 83.4 | Confident | 5 Ų | 5 | 12.6 Ų | 12.6 | 5% | 0.052 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 21 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T438 P1067 F1068 A1069 | T438-G1071 VanDerWaalsContact OG1-CA 3.31Å; T438-G1071 WeakPolarHBondContact OG1-CA 3.36Å; P1067-G1071 PolarHBondContact O-N 3.41Å; F1068-G1071 PolarHBondContact O-N 3.08Å; A1069-G1071 VanDerWaalsContact C-N 3.3Å |
| 1072 | I | 88.9 | Confident | 84.3 | Confident | 7 Ų | 7 | 10 Ų | 10 | 4% | 0.036 | 6% | 0.06 | C | C | . | . | trans | -90.6 | -36.2 | -179.4 | -61.2 | 174.5 | 0 | 0 | 0 | 110.3 | I1038 T1039 P1067 K1070 L1318 | I1038-I1072 CarbonylContact C-O 3.57Å; I1038-I1072 WeakPolarHBondContact CA-O 3.35Å; T1039-I1072 PolarHBondContact N-O 3.47Å; T1039-I1072 PolarHBondContact OG1-O 3.04Å; T1039-I1072 VanDerWaalsContact OG1-O 3.07Å; P1067-I1072 PolarHBondContact O-N 3.11Å; K1070-I1072 VanDerWaalsContact C-N 3.3Å; K1070-I1072 HydrophobicContact CB-CD1 3.84Å; K1070-I1072 HydrophobicContact CB-CG1 3.9Å; K1070-I1072 HydrophobicContact CD-CD1 3.97Å; K1070-I1072 PolarHBondContact O-N 2.9Å; I1072-L1318 HydrophobicContact CD1-CD2 4.3Å | ||
| 1073 | A | 90.6 | Very high | 84.8 | Confident | 1 Ų | 1 | 9.7 Ų | 9.7 | 1% | 0.008 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 137.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1039 L1041 I1047 L1050 P1067 | T1039-A1073 WeakPolarHBondContact O-CA 3.26Å; L1041-A1073 HydrophobicContact CD1-CB 4.31Å; I1047-A1073 HydrophobicContact CD1-CB 3.66Å; I1047-A1073 HydrophobicContact CG1-CB 3.92Å; L1050-A1073 HydrophobicContact CD1-CB 3.66Å; P1067-A1073 HydrophobicContact CB-CB 3.91Å; P1067-A1073 PolarHBondContact O-N 3.38Å; P1067-A1073 VanDerWaalsContact O-N 3.11Å |
| 1074 | F | 91.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 9.1 Ų | 9.1 | 0% | 0.004 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 120 | 169.7 | -178.3 | -94.7 | 0 | 0 | 0 | 109 | K423 F426 L427 T1039 E1040 L1041 L1079 | K423-F1074 HydrophobicContact CB-CE1 4.3Å; K423-F1074 HydrophobicContact CG-CD1 4.27Å; K423-F1074 HydrophobicContact CG-CE1 3.83Å; F426-F1074 HydrophobicContact CB-CD2 4.45Å; F426-F1074 HydrophobicContact CB-CE2 3.85Å; F426-F1074 HydrophobicContact CB-CZ 4.11Å; F426-F1074 AromaticContact CD2-CE2 3.9Å; F426-F1074 HydrophobicContact CD2-CE2 3.9Å; F426-F1074 AromaticContact CD2-CZ 3.75Å; F426-F1074 HydrophobicContact CD2-CZ 3.75Å; F426-F1074 AromaticContact CG-CE2 3.95Å; F426-F1074 HydrophobicContact CG-CE2 3.95Å; F426-F1074 HydrophobicContact CG-CZ 4.19Å; L427-F1074 HydrophobicContact CD2-CB 3.88Å; L427-F1074 HydrophobicContact CD2-CD1 4.44Å; L427-F1074 HydrophobicContact CD2-CG 4.17Å; T1039-F1074 PolarHBondContact O-N 3.21Å; E1040-F1074 CarbonylContact C-O 3.32Å; E1040-F1074 WeakPolarHBondContact CA-O 3.49Å; L1041-F1074 PolarHBondContact N-O 3.17Å; F1074-L1079 HydrophobicContact CZ-CD2 4.27Å |
| 1075 | T | 88.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 140.9 | -179.6 | 61.1 | 0 | 0 | 0 | 0 | 111.1 | L1041 D1044 I1047 A1062 S1077 V1078 | L1041-T1075 HydrophobicContact CB-CG2 4.23Å; L1041-T1075 WeakPolarHBondContact O-CA 3.23Å; D1044-T1075 WeakPolarHBondContact OD1-CB 3.41Å; D1044-T1075 WeakPolarHBondContact OD1-CG2 3.41Å; D1044-T1075 PolarHBondContact OD1-OG1 3.28Å; I1047-T1075 HydrophobicContact CD1-CG2 4.16Å; A1062-T1075 HydrophobicContact CB-CG2 4.08Å; T1075-S1077 VanDerWaalsContact C-N 3.27Å; T1075-S1077 PolarHBondContact O-N 3.27Å; T1075-S1077 PolarHBondContact OG1-OG 3.47Å; T1075-S1077 VanDerWaalsContact OG1-OG 3.12Å; T1075-V1078 WeakPolarHBondContact OG1-CG2 3.14Å |
| 1076 | S | 84.3 | Confident | 86.4 | Confident | 8 Ų | 8 | 6.4 Ų | 6.4 | 6% | 0.056 | 4% | 0.039 | C | C | . | . | G | 310 helix | trans | -68.1 | -23.9 | 178.8 | -55.5 | 0 | 0 | 0 | 0 | 114 | L1041 V1078 L1079 | L1041-S1076 PolarHBondContact O-N 3.46Å; L1041-S1076 VanDerWaalsContact O-N 3.12Å; S1076-V1078 PolarHBondContact O-N 3.41Å; S1076-L1079 WeakPolarHBondContact O-CB 3.21Å; S1076-L1079 PolarHBondContact O-N 3.47Å |
| 1077 | S | 81.1 | Confident | 86.9 | Confident | 20 Ų | 20 | 6.7 Ų | 6.7 | 14% | 0.14 | 4% | 0.039 | C | C | . | . | G | 310 helix | trans | -58.4 | -27.7 | 179 | 59.1 | 0 | 0 | 0 | 0 | 113.9 | D1044 T1075 L1079 D1080 | D1044-S1077 WeakPolarHBondContact OD1-CB 3.4Å; D1044-S1077 PolarHBondContact OD1-OG 2.94Å; D1044-S1077 WeakPolarHBondContact OD2-CB 3.26Å; D1044-S1077 PolarHBondContact OD2-OG 3.12Å; T1075-S1077 VanDerWaalsContact C-N 3.27Å; T1075-S1077 PolarHBondContact O-N 3.27Å; T1075-S1077 PolarHBondContact OG1-OG 3.47Å; T1075-S1077 VanDerWaalsContact OG1-OG 3.12Å; S1077-L1079 PolarHBondContact O-N 2.99Å; S1077-D1080 WeakPolarHBondContact O-CB 3.37Å; S1077-D1080 PolarHBondContact O-N 3.42Å; S1077-D1080 VanDerWaalsContact O-N 3.13Å |
| 1078 | V | 82.9 | Confident | 86.9 | Confident | 12 Ų | 12 | 9.2 Ų | 9.2 | 7% | 0.073 | 5% | 0.05 | C | C | . | . | G | 310 helix | trans | -58.7 | -31.5 | 176.4 | 164 | 0 | 0 | 0 | 0 | 111.6 | T441 F444 F1068 T1075 S1076 D1080 V1081 | T441-V1078 HydrophobicContact CG2-CB 4.09Å; T441-V1078 HydrophobicContact CG2-CG1 3.22Å; T441-V1078 HydrophobicContact CG2-CG2 3.7Å; T441-V1078 WeakPolarHBondContact OG1-CG1 3.47Å; F444-V1078 HydrophobicContact CE2-CG1 3.67Å; F444-V1078 HydrophobicContact CZ-CG1 3.46Å; F444-V1078 VanDerWaalsContact CZ-CG1 3.46Å; F1068-V1078 HydrophobicContact CE2-CG2 4.15Å; F1068-V1078 HydrophobicContact CZ-CG2 4.43Å; T1075-V1078 WeakPolarHBondContact OG1-CG2 3.14Å; S1076-V1078 PolarHBondContact O-N 3.41Å; V1078-D1080 VanDerWaalsContact C-N 3.29Å; V1078-D1080 PolarHBondContact O-N 3.45Å; V1078-V1081 PolarHBondContact O-N 3.18Å |
| 1079 | L | 85.5 | Confident | 86.6 | Confident | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | G | 310 helix | trans | -73.2 | -21.4 | -179 | -57.6 | 176.4 | 0 | 0 | 0 | 112.7 | F419 L422 K423 F426 F1074 S1076 S1077 V1081 L1082 | F419-L1079 HydrophobicContact CB-CD1 4.12Å; F419-L1079 HydrophobicContact CD1-CB 4.24Å; F419-L1079 HydrophobicContact CD1-CD1 4.37Å; F419-L1079 HydrophobicContact CD2-CD1 4.35Å; F419-L1079 HydrophobicContact CE1-CB 4.05Å; F419-L1079 HydrophobicContact CE2-CB 4.47Å; F419-L1079 HydrophobicContact CG-CD1 4.04Å; F419-L1079 HydrophobicContact CZ-CB 4.18Å; L422-L1079 HydrophobicContact CB-CD2 4.13Å; K423-L1079 HydrophobicContact CB-CD1 4.12Å; F426-L1079 HydrophobicContact CD2-CD2 4.27Å; F426-L1079 HydrophobicContact CE2-CD2 3.98Å; F1074-L1079 HydrophobicContact CZ-CD2 4.27Å; S1076-L1079 WeakPolarHBondContact O-CB 3.21Å; S1076-L1079 PolarHBondContact O-N 3.47Å; S1077-L1079 PolarHBondContact O-N 2.99Å; L1079-V1081 PolarHBondContact O-N 3.49Å; L1079-L1082 HydrophobicContact CD2-CD1 3.8Å; L1079-L1082 WeakPolarHBondContact O-CB 3.36Å; L1079-L1082 PolarHBondContact O-N 3.08Å; L1079-L1082 VanDerWaalsContact O-N 3.13Å |
| 1080 | D | 83.2 | Confident | 86.4 | Confident | 23 Ų | 23 | 14.2 Ų | 14.2 | 12% | 0.123 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -65.1 | -30.2 | 176.7 | -68.3 | -28 | 0 | 0 | 0 | 111.6 | T291 F419 S1077 V1078 L1082 A1083 | T291-D1080 HydrophobicContact CG2-CB 4.1Å; F419-D1080 WeakPolarHBondContact CZ-OD1 3.43Å; S1077-D1080 WeakPolarHBondContact O-CB 3.37Å; S1077-D1080 PolarHBondContact O-N 3.42Å; S1077-D1080 VanDerWaalsContact O-N 3.13Å; V1078-D1080 VanDerWaalsContact C-N 3.29Å; V1078-D1080 PolarHBondContact O-N 3.45Å; D1080-L1082 PolarHBondContact O-N 3.33Å; D1080-A1083 PolarHBondContact O-N 2.93Å |
| 1081 | V | 84.4 | Confident | 86.1 | Confident | 11 Ų | 11 | 15.9 Ų | 15.9 | 7% | 0.067 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -68.7 | -21.7 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | T291 D295 F444 T445 V1078 L1079 A1083 S1084 T1085 | T291-V1081 HydrophobicContact CG2-CG2 3.85Å; D295-V1081 HydrophobicContact CB-CG1 4.16Å; D295-V1081 VanDerWaalsContact CG-CG1 3.46Å; D295-V1081 WeakPolarHBondContact OD1-CG1 3.45Å; F444-V1081 HydrophobicContact CD2-CG1 4.24Å; T445-V1081 HydrophobicContact CG2-CG1 4.31Å; T445-V1081 HydrophobicContact CG2-CG2 4.4Å; V1078-V1081 PolarHBondContact O-N 3.18Å; L1079-V1081 PolarHBondContact O-N 3.49Å; V1081-A1083 PolarHBondContact O-N 3.29Å; V1081-S1084 PolarHBondContact O-N 3.31Å; V1081-S1084 PolarHBondContact O-OG 2.77Å; V1081-T1085 HydrophobicContact CG1-CG2 4.3Å; V1081-T1085 PolarHBondContact O-N 3.02Å; V1081-T1085 VanDerWaalsContact O-N 3.16Å |
| 1082 | L | 87.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.5 | -24 | 179.9 | -65.3 | 173.8 | 0 | 0 | 0 | 112.9 | I417 L422 F444 L1079 D1080 T1085 A1086 M1093 | I417-L1082 HydrophobicContact CD1-CB 4.12Å; I417-L1082 WeakPolarHBondContact CD1-O 3.48Å; I417-L1082 HydrophobicContact CG2-CB 4.25Å; I417-L1082 HydrophobicContact CG2-CD1 4.43Å; L422-L1082 HydrophobicContact CD1-CD1 3.61Å; F444-L1082 HydrophobicContact CD1-CD2 4.16Å; F444-L1082 HydrophobicContact CD2-CD2 3.76Å; F444-L1082 HydrophobicContact CE1-CD2 4.11Å; F444-L1082 HydrophobicContact CE2-CD2 3.74Å; F444-L1082 HydrophobicContact CE2-CG 4.13Å; F444-L1082 HydrophobicContact CG-CD2 3.98Å; F444-L1082 HydrophobicContact CZ-CD2 3.91Å; F444-L1082 HydrophobicContact CZ-CG 4.37Å; L1079-L1082 HydrophobicContact CD2-CD1 3.8Å; L1079-L1082 WeakPolarHBondContact O-CB 3.36Å; L1079-L1082 PolarHBondContact O-N 3.08Å; L1079-L1082 VanDerWaalsContact O-N 3.13Å; D1080-L1082 PolarHBondContact O-N 3.33Å; L1082-T1085 VanDerWaalsContact CA-OG1 3.29Å; L1082-T1085 WeakPolarHBondContact CA-OG1 3.41Å; L1082-T1085 PolarHBondContact O-N 3.4Å; L1082-T1085 PolarHBondContact O-OG1 2.98Å; L1082-A1086 WeakPolarHBondContact O-CB 3.37Å; L1082-A1086 PolarHBondContact O-N 3.41Å; L1082-M1093 HydrophobicContact CB-SD 4.35Å; L1082-M1093 HydrophobicContact CD1-CE 4.39Å; L1082-M1093 HydrophobicContact CD2-SD 4.05Å |
| 1083 | A | 88.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.008 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.4 | -39 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L356 L358 I417 D1080 V1081 Y1087 | L356-A1083 HydrophobicContact CD2-CB 4.45Å; L358-A1083 HydrophobicContact CD2-CB 4.19Å; I417-A1083 HydrophobicContact CD1-CB 4.23Å; D1080-A1083 PolarHBondContact O-N 2.93Å; V1081-A1083 PolarHBondContact O-N 3.29Å; A1083-Y1087 PolarHBondContact O-N 3.48Å |
| 1084 | S | 88 | Confident | 85.3 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -72.6 | -41.2 | 173.8 | 42.9 | 0 | 0 | 0 | 0 | 111.2 | D295 V1081 A1086 Y1087 F1088 | D295-S1084 WeakPolarHBondContact OD2-CB 3.08Å; D295-S1084 PolarHBondContact OD2-OG 3.22Å; V1081-S1084 PolarHBondContact O-N 3.31Å; V1081-S1084 PolarHBondContact O-OG 2.77Å; S1084-A1086 PolarHBondContact O-N 2.94Å; S1084-Y1087 PolarHBondContact O-N 3.44Å; S1084-F1088 WeakPolarHBondContact O-CD2 3.47Å; S1084-F1088 PolarHBondContact O-N 3.23Å; S1084-F1088 VanDerWaalsContact O-N 3.14Å |
| 1085 | T | 86.5 | Confident | 85 | Confident | 14 Ų | 14 | 19.3 Ų | 19.3 | 9% | 0.086 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 176.8 | 64.7 | 0 | 0 | 0 | 0 | 112.2 | F444 V1081 L1082 Y1087 F1088 D1089 | F444-T1085 HydrophobicContact CB-CG2 4.04Å; F444-T1085 VanDerWaalsContact O-CG2 3.28Å; F444-T1085 WeakPolarHBondContact O-CG2 3.39Å; V1081-T1085 HydrophobicContact CG1-CG2 4.3Å; V1081-T1085 PolarHBondContact O-N 3.02Å; V1081-T1085 VanDerWaalsContact O-N 3.16Å; L1082-T1085 VanDerWaalsContact CA-OG1 3.29Å; L1082-T1085 WeakPolarHBondContact CA-OG1 3.41Å; L1082-T1085 PolarHBondContact O-N 3.4Å; L1082-T1085 PolarHBondContact O-OG1 2.98Å; T1085-Y1087 VanDerWaalsContact C-N 3.3Å; T1085-Y1087 PolarHBondContact O-N 2.82Å; T1085-F1088 PolarHBondContact O-N 3.07Å; T1085-D1089 CarbonylContact O-C 3.47Å; T1085-D1089 PolarHBondContact O-N 2.92Å |
| 1086 | A | 88.8 | Confident | 85 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -56.4 | -43.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R388 I390 E415 I417 L1082 S1084 M1093 | R388-A1086 PolarHBondContact NH2-O 3.1Å; I390-A1086 HydrophobicContact CD1-CB 4.07Å; I390-A1086 HydrophobicContact CG2-CB 4.09Å; E415-A1086 VanDerWaalsContact OE2-CB 3.22Å; E415-A1086 WeakPolarHBondContact OE2-CB 3.11Å; I417-A1086 HydrophobicContact CD1-CB 4.08Å; L1082-A1086 WeakPolarHBondContact O-CB 3.37Å; L1082-A1086 PolarHBondContact O-N 3.41Å; S1084-A1086 PolarHBondContact O-N 2.94Å; A1086-M1093 HydrophobicContact CB-CG 4.27Å |
| 1087 | Y | 90.3 | Very high | 85.1 | Confident | 12 Ų | 12 | 21.4 Ų | 21.4 | 5% | 0.047 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61 | -50.1 | 178.7 | 174.3 | -102.6 | 0 | 0 | 0 | 112.5 | I278 F296 D353 A354 L356 R388 A1083 S1084 T1085 | I278-Y1087 HydrophobicContact CG2-CD2 4.21Å; I278-Y1087 HydrophobicContact CG2-CE1 4.37Å; I278-Y1087 HydrophobicContact CG2-CE2 3.46Å; I278-Y1087 VanDerWaalsContact CG2-CE2 3.46Å; F296-Y1087 HydrophobicContact CD2-CD1 4.41Å; F296-Y1087 AromaticContact CE2-CD1 3.37Å; F296-Y1087 HydrophobicContact CE2-CD1 3.37Å; F296-Y1087 AromaticContact CE2-CE1 3.73Å; F296-Y1087 HydrophobicContact CE2-CE1 3.73Å; F296-Y1087 HydrophobicContact CE2-CG 4Å; F296-Y1087 AromaticContact CZ-CD1 3.87Å; F296-Y1087 HydrophobicContact CZ-CD1 3.87Å; F296-Y1087 AromaticContact CZ-CE1 3.7Å; F296-Y1087 HydrophobicContact CZ-CE1 3.7Å; D353-Y1087 PolarHBondContact OD2-OH 3.04Å; A354-Y1087 HydrophobicContact CB-CD2 3.83Å; A354-Y1087 HydrophobicContact CB-CE2 3.78Å; L356-Y1087 HydrophobicContact CD1-CD2 4.47Å; R388-Y1087 PolarHBondContact NH1-O 2.99Å; A1083-Y1087 PolarHBondContact O-N 3.48Å; S1084-Y1087 PolarHBondContact O-N 3.44Å; T1085-Y1087 VanDerWaalsContact C-N 3.3Å; T1085-Y1087 PolarHBondContact O-N 2.82Å |
| 1088 | F | 86.5 | Confident | 85.2 | Confident | 59 Ų | 59 | 23 Ų | 23 | 26% | 0.259 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -78.9 | -38.6 | -175 | -70.8 | -74 | 0 | 0 | 0 | 114 | F296 R303 S1084 T1085 | F296-F1088 AromaticContact CD2-CE2 3.61Å; F296-F1088 HydrophobicContact CD2-CE2 3.61Å; F296-F1088 HydrophobicContact CD2-CZ 4.13Å; F296-F1088 HydrophobicContact CE1-CZ 4.31Å; F296-F1088 AromaticContact CE2-CE2 3.68Å; F296-F1088 HydrophobicContact CE2-CE2 3.68Å; F296-F1088 AromaticContact CE2-CZ 3.87Å; F296-F1088 HydrophobicContact CE2-CZ 3.87Å; F296-F1088 HydrophobicContact CG-CE2 4.13Å; F296-F1088 HydrophobicContact CG-CZ 4.46Å; F296-F1088 HydrophobicContact CZ-CE2 4.23Å; F296-F1088 AromaticContact CZ-CZ 3.94Å; F296-F1088 HydrophobicContact CZ-CZ 3.94Å; R303-F1088 HydrophobicContact CB-CE1 4.11Å; S1084-F1088 WeakPolarHBondContact O-CD2 3.47Å; S1084-F1088 PolarHBondContact O-N 3.23Å; S1084-F1088 VanDerWaalsContact O-N 3.14Å; T1085-F1088 PolarHBondContact O-N 3.07Å |
| 1089 | D | 81.2 | Confident | 85.4 | Confident | 27 Ų | 27 | 23.6 Ų | 23.6 | 14% | 0.144 | 12% | 0.115 | C | C | . | . | trans | -140.5 | 95.2 | 179.8 | -170.8 | -9.5 | 0 | 0 | 0 | 112.2 | S598 T1085 N1091 S1092 M1093 | S598-D1089 PolarHBondContact OG-OD2 2.88Å; T1085-D1089 CarbonylContact O-C 3.47Å; T1085-D1089 PolarHBondContact O-N 2.92Å; D1089-N1091 VanDerWaalsContact C-N 3.28Å; D1089-N1091 PolarHBondContact O-N 2.99Å; D1089-N1091 PolarHBondContact OD1-N 3.41Å; D1089-S1092 PolarHBondContact O-N 2.7Å; D1089-S1092 PolarHBondContact OD1-N 3.49Å; D1089-S1092 VanDerWaalsContact OD1-N 3.1Å; D1089-S1092 WeakPolarHBondContact OD2-CB 3.43Å; D1089-S1092 PolarHBondContact OD2-OG 3.07Å; D1089-M1093 PolarHBondContact O-N 3.37Å | ||
| 1090 | R | 80.5 | Confident | 85.5 | Confident | 79 Ų | 79 | 23.5 Ų | 23.5 | 30% | 0.298 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -57.7 | -38.2 | 175 | 168.4 | 166.1 | 178.9 | -164.3 | -0.7 | 113.2 | W410 E411 G413 E415 M1093 T1094 | W410-R1090 PolarHBondContact O-NH1 3.46Å; W410-R1090 PolarHBondContact O-NH2 3.39Å; E411-R1090 PolarHBondContact O-NH1 3.21Å; G413-R1090 VanDerWaalsContact CA-NH1 3.28Å; E415-R1090 WeakPolarHBondContact OE1-CB 3.31Å; E415-R1090 WeakPolarHBondContact OE1-CG 3.43Å; R1090-M1093 PolarHBondContact O-N 2.96Å; R1090-T1094 PolarHBondContact O-N 2.92Å; R1090-T1094 VanDerWaalsContact O-N 3.08Å; R1090-T1094 PolarHBondContact O-OG1 2.94Å |
| 1091 | N | 80.4 | Confident | 85.5 | Confident | 53 Ų | 53 | 22.7 Ų | 22.7 | 28% | 0.283 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -75.5 | -37.6 | -172.9 | -60 | -41.9 | 0 | 0 | 0 | 110.6 | F703 D1089 M1093 T1094 L1095 | F703-N1091 HydrophobicContact CE1-CB 3.47Å; F703-N1091 VanDerWaalsContact CE1-CB 3.47Å; F703-N1091 HydrophobicContact CZ-CB 3.37Å; D1089-N1091 VanDerWaalsContact C-N 3.28Å; D1089-N1091 PolarHBondContact O-N 2.99Å; D1089-N1091 PolarHBondContact OD1-N 3.41Å; N1091-M1093 VanDerWaalsContact C-N 3.31Å; N1091-M1093 PolarHBondContact O-N 2.97Å; N1091-T1094 WeakPolarHBondContact O-CB 3.48Å; N1091-T1094 PolarHBondContact O-N 3.27Å; N1091-L1095 PolarHBondContact O-N 2.95Å |
| 1092 | S | 82.8 | Confident | 85 | Confident | 8 Ų | 8 | 22.7 Ų | 22.7 | 6% | 0.056 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | 171.9 | -72.3 | 0 | 0 | 0 | 0 | 111.9 | I596 D1089 T1094 L1095 I1096 | I596-S1092 WeakPolarHBondContact CG2-OG 3.31Å; D1089-S1092 PolarHBondContact O-N 2.7Å; D1089-S1092 PolarHBondContact OD1-N 3.49Å; D1089-S1092 VanDerWaalsContact OD1-N 3.1Å; D1089-S1092 WeakPolarHBondContact OD2-CB 3.43Å; D1089-S1092 PolarHBondContact OD2-OG 3.07Å; S1092-T1094 VanDerWaalsContact C-N 3.34Å; S1092-T1094 PolarHBondContact O-N 3.03Å; S1092-L1095 WeakPolarHBondContact O-CB 3.38Å; S1092-L1095 PolarHBondContact O-N 3.49Å; S1092-I1096 VanDerWaalsContact O-CG1 3.3Å; S1092-I1096 WeakPolarHBondContact O-CG1 3.49Å; S1092-I1096 PolarHBondContact O-N 3.24Å |
| 1093 | M | 85 | Confident | 84.2 | Confident | 8 Ų | 8 | 22.7 Ų | 22.7 | 4% | 0.039 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63 | -41 | 174 | -173.5 | 58.4 | -155.1 | 0 | 0 | 112.2 | I417 L422 L1082 A1086 D1089 R1090 N1091 I1096 R1097 | I417-M1093 HydrophobicContact CG1-CE 4.48Å; L422-M1093 HydrophobicContact CD1-CE 3.87Å; L422-M1093 HydrophobicContact CD2-CE 4.5Å; L1082-M1093 HydrophobicContact CB-SD 4.35Å; L1082-M1093 HydrophobicContact CD1-CE 4.39Å; L1082-M1093 HydrophobicContact CD2-SD 4.05Å; A1086-M1093 HydrophobicContact CB-CG 4.27Å; D1089-M1093 PolarHBondContact O-N 3.37Å; R1090-M1093 PolarHBondContact O-N 2.96Å; N1091-M1093 VanDerWaalsContact C-N 3.31Å; N1091-M1093 PolarHBondContact O-N 2.97Å; M1093-I1096 PolarHBondContact O-N 2.83Å; M1093-R1097 WeakPolarHBondContact O-CB 3.15Å; M1093-R1097 PolarHBondContact O-N 3.34Å |
| 1094 | T | 82.9 | Confident | 83.5 | Confident | 69 Ų | 69 | 23.4 Ų | 23.4 | 42% | 0.423 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -63.8 | -40.9 | 175.9 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | R1090 N1091 S1092 R1097 H1098 | R1090-T1094 PolarHBondContact O-N 2.92Å; R1090-T1094 VanDerWaalsContact O-N 3.08Å; R1090-T1094 PolarHBondContact O-OG1 2.94Å; N1091-T1094 WeakPolarHBondContact O-CB 3.48Å; N1091-T1094 PolarHBondContact O-N 3.27Å; S1092-T1094 VanDerWaalsContact C-N 3.34Å; S1092-T1094 PolarHBondContact O-N 3.03Å; T1094-R1097 PolarHBondContact O-N 3.05Å; T1094-H1098 WeakPolarHBondContact O-CB 3.41Å; T1094-H1098 PolarHBondContact O-N 3.35Å |
| 1095 | L | 86.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.4 | -50.7 | 174.8 | 174.2 | 63.4 | 0 | 0 | 0 | 111.7 | I596 A627 L684 I686 F703 N1091 S1092 R1097 H1098 L1099 | I596-L1095 HydrophobicContact CG2-CD2 4.34Å; A627-L1095 HydrophobicContact CB-CD1 4.13Å; L684-L1095 HydrophobicContact CD2-CB 3.98Å; L684-L1095 HydrophobicContact CD2-CD1 4.03Å; I686-L1095 HydrophobicContact CD1-CD1 3.56Å; I686-L1095 HydrophobicContact CG1-CD1 3.67Å; I686-L1095 HydrophobicContact CG2-CD1 4.43Å; F703-L1095 HydrophobicContact CB-CD2 4.06Å; F703-L1095 HydrophobicContact CD1-CD2 4.23Å; F703-L1095 HydrophobicContact CG-CD2 4.09Å; N1091-L1095 PolarHBondContact O-N 2.95Å; S1092-L1095 WeakPolarHBondContact O-CB 3.38Å; S1092-L1095 PolarHBondContact O-N 3.49Å; L1095-R1097 VanDerWaalsContact C-N 3.3Å; L1095-R1097 PolarHBondContact O-N 3.46Å; L1095-H1098 PolarHBondContact O-N 3.29Å; L1095-L1099 HydrophobicContact CD1-CD1 4.07Å; L1095-L1099 HydrophobicContact CD1-CG 4.24Å; L1095-L1099 HydrophobicContact CG-CD1 4.11Å; L1095-L1099 WeakPolarHBondContact O-CG 3.48Å; L1095-L1099 PolarHBondContact O-N 2.78Å |
| 1096 | I | 87.3 | Confident | 82.2 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57 | -47.9 | 178.9 | -69.9 | 164.5 | 0 | 0 | 0 | 109.8 | F426 V440 F444 I596 S1092 M1093 H1098 L1099 V1100 | F426-I1096 HydrophobicContact CZ-CG2 4.17Å; V440-I1096 HydrophobicContact CG1-CG2 4.27Å; F444-I1096 HydrophobicContact CB-CD1 3.93Å; F444-I1096 HydrophobicContact CD1-CD1 3.95Å; F444-I1096 HydrophobicContact CG-CD1 4.27Å; I596-I1096 HydrophobicContact CD1-CG1 4.25Å; S1092-I1096 VanDerWaalsContact O-CG1 3.3Å; S1092-I1096 WeakPolarHBondContact O-CG1 3.49Å; S1092-I1096 PolarHBondContact O-N 3.24Å; M1093-I1096 PolarHBondContact O-N 2.83Å; I1096-H1098 PolarHBondContact O-N 2.9Å; I1096-L1099 PolarHBondContact O-N 3.08Å; I1096-V1100 HydrophobicContact CG2-CG2 4.14Å; I1096-V1100 WeakPolarHBondContact O-CB 3.31Å; I1096-V1100 WeakPolarHBondContact O-CG2 3.3Å; I1096-V1100 PolarHBondContact O-N 2.89Å |
| 1097 | R | 86.2 | Confident | 81.4 | Confident | 50 Ų | 50 | 31.7 Ų | 31.7 | 19% | 0.189 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60 | -45.4 | 179.3 | -172.8 | 179.2 | -177.7 | -172.2 | 2.2 | 112.1 | E421 M1093 T1094 L1095 L1099 V1100 T1101 E1109 | E421-R1097 IonicContact OE1-NE 3.09Å; E421-R1097 PolarHBondContact OE1-NE 3.28Å; E421-R1097 IonicContact OE1-NH2 3.82Å; M1093-R1097 WeakPolarHBondContact O-CB 3.15Å; M1093-R1097 PolarHBondContact O-N 3.34Å; T1094-R1097 PolarHBondContact O-N 3.05Å; L1095-R1097 VanDerWaalsContact C-N 3.3Å; L1095-R1097 PolarHBondContact O-N 3.46Å; R1097-L1099 VanDerWaalsContact C-N 3.34Å; R1097-L1099 PolarHBondContact O-N 2.83Å; R1097-V1100 PolarHBondContact O-N 3.02Å; R1097-T1101 HydrophobicContact CG-CG2 4.17Å; R1097-T1101 WeakPolarHBondContact O-CB 3.07Å; R1097-T1101 WeakPolarHBondContact O-CG2 3.38Å; R1097-T1101 PolarHBondContact O-N 3.08Å; R1097-T1101 PolarHBondContact O-OG1 3.15Å; R1097-E1109 IonicContact CZ-OE1 3.89Å; R1097-E1109 IonicContact CZ-OE2 3.23Å; R1097-E1109 IonicContact NE-OE1 3.98Å; R1097-E1109 IonicContact NH1-OE2 3.8Å; R1097-E1109 IonicContact NH2-OE1 2.65Å; R1097-E1109 PolarHBondContact NH2-OE1 3.44Å; R1097-E1109 IonicContact NH2-OE2 3.97Å; R1097-E1109 PolarHBondContact NH2-OE2 2.83Å |
| 1098 | H | 84.7 | Confident | 80.9 | Confident | 53 Ų | 53 | 31.2 Ų | 31.2 | 25% | 0.245 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63 | -40 | 178.6 | -161.3 | 92 | 0 | 0 | 0 | 112.2 | I686 T1094 L1095 I1096 G1102 G1103 | I686-H1098 HydrophobicContact CD1-CB 4.11Å; I686-H1098 VanDerWaalsContact CD1-CD2 3.43Å; I686-H1098 WeakPolarHBondContact CD1-CD2 3.47Å; T1094-H1098 WeakPolarHBondContact O-CB 3.41Å; T1094-H1098 PolarHBondContact O-N 3.35Å; L1095-H1098 PolarHBondContact O-N 3.29Å; I1096-H1098 PolarHBondContact O-N 2.9Å; H1098-G1102 PolarHBondContact O-N 3.41Å; H1098-G1103 WeakPolarHBondContact CE1-CA 3.47Å; H1098-G1103 PolarHBondContact CE1-O 3.03Å; H1098-G1103 WeakPolarHBondContact NE2-CA 3.42Å; H1098-G1103 PolarHBondContact O-N 3.41Å |
| 1099 | L | 85.8 | Confident | 80.7 | Confident | 25 Ų | 25 | 29.2 Ų | 29.2 | 13% | 0.131 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.2 | -39.2 | 175.7 | -72.1 | 172.7 | 0 | 0 | 0 | 112.5 | Q429 I686 L1095 I1096 R1097 L1341 | Q429-L1099 PolarHBondContact NE2-O 3.28Å; I686-L1099 HydrophobicContact CD1-CD2 4.38Å; I686-L1099 HydrophobicContact CG2-CD2 4.23Å; L1095-L1099 HydrophobicContact CD1-CD1 4.07Å; L1095-L1099 HydrophobicContact CD1-CG 4.24Å; L1095-L1099 HydrophobicContact CG-CD1 4.11Å; L1095-L1099 WeakPolarHBondContact O-CG 3.48Å; L1095-L1099 PolarHBondContact O-N 2.78Å; I1096-L1099 PolarHBondContact O-N 3.08Å; R1097-L1099 VanDerWaalsContact C-N 3.34Å; R1097-L1099 PolarHBondContact O-N 2.83Å; L1099-L1341 HydrophobicContact CD2-CD1 4.49Å; L1099-L1341 HydrophobicContact CD2-CD2 4.26Å |
| 1100 | V | 88.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -76.5 | -47 | -176.4 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | L422 G425 F426 Q429 I1096 R1097 G1102 | L422-V1100 HydrophobicContact CD2-CG1 4.38Å; G425-V1100 VanDerWaalsContact C-CG1 3.47Å; F426-V1100 HydrophobicContact CD1-CG1 4.46Å; F426-V1100 HydrophobicContact CD1-CG2 3.71Å; F426-V1100 HydrophobicContact CE1-CG2 3.32Å; F426-V1100 HydrophobicContact CE2-CG2 4.34Å; F426-V1100 HydrophobicContact CG-CG1 4.35Å; F426-V1100 HydrophobicContact CG-CG2 4.34Å; F426-V1100 HydrophobicContact CZ-CG2 3.68Å; Q429-V1100 WeakPolarHBondContact CG-O 3.14Å; Q429-V1100 PolarHBondContact NE2-O 3.4Å; I1096-V1100 HydrophobicContact CG2-CG2 4.14Å; I1096-V1100 WeakPolarHBondContact O-CB 3.31Å; I1096-V1100 WeakPolarHBondContact O-CG2 3.3Å; I1096-V1100 PolarHBondContact O-N 2.89Å; R1097-V1100 PolarHBondContact O-N 3.02Å; V1100-G1102 VanDerWaalsContact C-N 3.31Å; V1100-G1102 PolarHBondContact O-N 3.45Å |
| 1101 | T | 83.6 | Confident | 80.6 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -82.8 | -4.5 | -174.2 | 65.5 | 0 | 0 | 0 | 0 | 114 | E421 Y870 R1097 G1103 V1104 | E421-T1101 HydrophobicContact CG-CG2 4.16Å; Y870-T1101 PolarHBondContact OH-O 3.05Å; R1097-T1101 HydrophobicContact CG-CG2 4.17Å; R1097-T1101 WeakPolarHBondContact O-CB 3.07Å; R1097-T1101 WeakPolarHBondContact O-CG2 3.38Å; R1097-T1101 PolarHBondContact O-N 3.08Å; R1097-T1101 PolarHBondContact O-OG1 3.15Å; T1101-G1103 VanDerWaalsContact C-N 3.32Å; T1101-V1104 WeakPolarHBondContact OG1-CB 3.43Å; T1101-V1104 PolarHBondContact OG1-N 3.22Å |
| 1102 | G | 73 | Confident | 80.7 | Confident | 11 Ų | 11 | 30.5 Ų | 30.5 | 11% | 0.113 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 17.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | H1098 V1100 | H1098-G1102 PolarHBondContact O-N 3.41Å; V1100-G1102 VanDerWaalsContact C-N 3.31Å; V1100-G1102 PolarHBondContact O-N 3.45Å |
| 1103 | G | 71.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 103 | 21.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | M869 H1098 T1101 T1105 | M869-G1103 WeakPolarHBondContact CE-O 3.45Å; H1098-G1103 WeakPolarHBondContact CE1-CA 3.47Å; H1098-G1103 PolarHBondContact CE1-O 3.03Å; H1098-G1103 WeakPolarHBondContact NE2-CA 3.42Å; H1098-G1103 PolarHBondContact O-N 3.41Å; T1101-G1103 VanDerWaalsContact C-N 3.32Å; G1103-T1105 PolarHBondContact O-N 3.05Å; G1103-T1105 VanDerWaalsContact O-N 3.13Å |
| 1104 | V | 73.6 | Confident | 80.4 | Confident | 15 Ų | 15 | 36.4 Ų | 36.4 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | trans | -51.7 | 121 | 174.4 | 179 | 0 | 0 | 0 | 0 | 109.8 | Y870 M919 T1101 L1108 E1109 | Y870-V1104 WeakPolarHBondContact OH-CG2 3.31Å; M919-V1104 HydrophobicContact SD-CG2 3.67Å; T1101-V1104 WeakPolarHBondContact OG1-CB 3.43Å; T1101-V1104 PolarHBondContact OG1-N 3.22Å; V1104-L1108 HydrophobicContact CG1-CD2 4.41Å; V1104-E1109 HydrophobicContact CG1-CG 3.39Å | ||
| 1105 | T | 74.1 | Confident | 80 | Confident | 51 Ų | 51 | 36.2 Ų | 36.2 | 31% | 0.313 | 21% | 0.213 | S | C | . | . | trans | -88.7 | 148.7 | 175.7 | 59.8 | 0 | 0 | 0 | 0 | 109.7 | G1103 A1107 L1108 E1109 | G1103-T1105 PolarHBondContact O-N 3.05Å; G1103-T1105 VanDerWaalsContact O-N 3.13Å; T1105-A1107 PolarHBondContact O-N 2.71Å; T1105-A1107 VanDerWaalsContact O-N 3.14Å; T1105-L1108 WeakPolarHBondContact O-CB 3.45Å; T1105-L1108 PolarHBondContact O-N 3.17Å; T1105-L1108 PolarHBondContact OG1-N 2.94Å; T1105-E1109 PolarHBondContact O-N 2.88Å | ||
| 1106 | P | 73.7 | Confident | 79.1 | Confident | 64 Ų | 64 | 37 Ų | 37 | 42% | 0.416 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -54 | -34 | 175.2 | -26.7 | 34.7 | 0 | 0 | 0 | 113.3 | L1108 E1109 Q1110 | P1106-L1108 PolarHBondContact O-N 3.34Å; P1106-E1109 WeakPolarHBondContact O-CB 3.35Å; P1106-E1109 PolarHBondContact O-N 2.72Å; P1106-Q1110 PolarHBondContact O-N 3.41Å |
| 1107 | A | 72 | Confident | 78.4 | Confident | 74 Ų | 74 | 38.5 Ų | 38.5 | 61% | 0.612 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.7 | -39.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1105 E1109 Q1110 W1111 | T1105-A1107 PolarHBondContact O-N 2.71Å; T1105-A1107 VanDerWaalsContact O-N 3.14Å; A1107-E1109 VanDerWaalsContact C-N 3.31Å; A1107-Q1110 PolarHBondContact O-N 3.32Å; A1107-W1111 PolarHBondContact O-N 3.47Å |
| 1108 | L | 79.8 | Confident | 77.8 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67 | -35.6 | 174.6 | 174.9 | 61.7 | 0 | 0 | 0 | 111.3 | T867 Y870 V1104 T1105 P1106 W1111 L1112 | T867-L1108 HydrophobicContact CG2-CD1 3.79Å; Y870-L1108 HydrophobicContact CD2-CD2 4.2Å; Y870-L1108 HydrophobicContact CE2-CD2 3.53Å; V1104-L1108 HydrophobicContact CG1-CD2 4.41Å; T1105-L1108 WeakPolarHBondContact O-CB 3.45Å; T1105-L1108 PolarHBondContact O-N 3.17Å; T1105-L1108 PolarHBondContact OG1-N 2.94Å; P1106-L1108 PolarHBondContact O-N 3.34Å; L1108-W1111 WeakPolarHBondContact O-CB 3.38Å; L1108-W1111 PolarHBondContact O-N 3.28Å; L1108-L1112 HydrophobicContact CD1-CD1 4.31Å; L1108-L1112 HydrophobicContact CD1-CG 4.18Å; L1108-L1112 HydrophobicContact CG-CD1 4.13Å; L1108-L1112 HydrophobicContact CG-CG 4.43Å; L1108-L1112 VanDerWaalsContact O-CG 3.28Å; L1108-L1112 WeakPolarHBondContact O-CG 3.18Å; L1108-L1112 PolarHBondContact O-N 3.38Å |
| 1109 | E | 81.3 | Confident | 77.2 | Confident | 17 Ų | 17 | 37.4 Ų | 37.4 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.2 | -39.3 | 177.8 | -58 | -169.8 | 144.3 | 0 | 0 | 112.8 | K399 L403 R1097 V1104 T1105 P1106 A1107 W1111 L1112 A1113 | K399-E1109 WeakPolarHBondContact CE-OE2 3.32Å; K399-E1109 IonicContact NZ-OE1 3.33Å; K399-E1109 PolarHBondContact NZ-OE1 3.44Å; K399-E1109 IonicContact NZ-OE2 3.56Å; K399-E1109 PolarHBondContact NZ-OE2 3.26Å; L403-E1109 HydrophobicContact CD1-CB 3.9Å; R1097-E1109 IonicContact CZ-OE1 3.89Å; R1097-E1109 IonicContact CZ-OE2 3.23Å; R1097-E1109 IonicContact NE-OE1 3.98Å; R1097-E1109 IonicContact NH1-OE2 3.8Å; R1097-E1109 IonicContact NH2-OE1 2.65Å; R1097-E1109 PolarHBondContact NH2-OE1 3.44Å; R1097-E1109 IonicContact NH2-OE2 3.97Å; R1097-E1109 PolarHBondContact NH2-OE2 2.83Å; V1104-E1109 HydrophobicContact CG1-CG 3.39Å; T1105-E1109 PolarHBondContact O-N 2.88Å; P1106-E1109 WeakPolarHBondContact O-CB 3.35Å; P1106-E1109 PolarHBondContact O-N 2.72Å; A1107-E1109 VanDerWaalsContact C-N 3.31Å; E1109-W1111 VanDerWaalsContact C-N 3.31Å; E1109-L1112 PolarHBondContact O-N 3.38Å; E1109-A1113 WeakPolarHBondContact O-CB 3.42Å; E1109-A1113 PolarHBondContact O-N 2.95Å |
| 1110 | Q | 80.4 | Confident | 76.2 | Confident | 56 Ų | 56 | 36.3 Ų | 36.3 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.4 | -46.3 | 172.3 | -175.1 | 60 | 31.3 | 0 | 0 | 110.2 | L403 N404 P1106 A1107 L1112 A1113 E1114 | L403-Q1110 PolarHBondContact O-OE1 2.65Å; N404-Q1110 PolarHBondContact OD1-NE2 2.87Å; P1106-Q1110 PolarHBondContact O-N 3.41Å; A1107-Q1110 PolarHBondContact O-N 3.32Å; Q1110-L1112 PolarHBondContact O-N 3.32Å; Q1110-A1113 WeakPolarHBondContact O-CB 3.2Å; Q1110-A1113 PolarHBondContact O-N 2.9Å; Q1110-A1113 VanDerWaalsContact O-N 3.11Å; Q1110-E1114 WeakPolarHBondContact CG-OE1 3.42Å; Q1110-E1114 PolarHBondContact NE2-OE1 3.22Å; Q1110-E1114 WeakPolarHBondContact O-CG 3.3Å; Q1110-E1114 PolarHBondContact O-N 3.07Å |
| 1111 | W | 80.7 | Confident | 74.8 | Confident | 72 Ų | 72 | 39 Ų | 39 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 175.1 | 177 | -92.5 | 0 | 0 | 0 | 112.9 | A1107 L1108 E1109 A1113 E1114 G1116 G1117 I1119 | A1107-W1111 PolarHBondContact O-N 3.47Å; L1108-W1111 WeakPolarHBondContact O-CB 3.38Å; L1108-W1111 PolarHBondContact O-N 3.28Å; E1109-W1111 VanDerWaalsContact C-N 3.31Å; W1111-A1113 VanDerWaalsContact C-N 3.33Å; W1111-E1114 PolarHBondContact O-N 3.49Å; W1111-G1116 VanDerWaalsContact NE1-C 3.28Å; W1111-G1116 PolarHBondContact NE1-O 3.44Å; W1111-G1116 VanDerWaalsContact NE1-O 3.15Å; W1111-G1116 WeakPolarHBondContact O-CA 3.32Å; W1111-G1116 PolarHBondContact O-N 2.98Å; W1111-G1117 PolarHBondContact NE1-O 2.96Å; W1111-I1119 HydrophobicContact CZ2-CD1 4.28Å |
| 1112 | L | 82.4 | Confident | 73.5 | Confident | 58 Ų | 58 | 41.8 Ų | 41.8 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 176.2 | -69 | 172.5 | 0 | 0 | 0 | 111.5 | M919 L1108 E1109 Q1110 E1114 G1115 L1118 | M919-L1112 HydrophobicContact CE-CD1 4.08Å; L1108-L1112 HydrophobicContact CD1-CD1 4.31Å; L1108-L1112 HydrophobicContact CD1-CG 4.18Å; L1108-L1112 HydrophobicContact CG-CD1 4.13Å; L1108-L1112 HydrophobicContact CG-CG 4.43Å; L1108-L1112 VanDerWaalsContact O-CG 3.28Å; L1108-L1112 WeakPolarHBondContact O-CG 3.18Å; L1108-L1112 PolarHBondContact O-N 3.38Å; E1109-L1112 PolarHBondContact O-N 3.38Å; Q1110-L1112 PolarHBondContact O-N 3.32Å; L1112-E1114 VanDerWaalsContact C-N 3.34Å; L1112-G1115 PolarHBondContact O-N 3.21Å; L1112-G1115 VanDerWaalsContact O-N 3.16Å; L1112-L1118 HydrophobicContact CD2-CD2 4.38Å; L1112-L1118 HydrophobicContact CD2-CG 4.41Å |
| 1113 | A | 80.4 | Confident | 72.6 | Confident | 16 Ų | 16 | 45.2 Ų | 45.2 | 13% | 0.132 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.3 | -30.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A400 L403 N404 E1109 Q1110 W1111 G1115 | A400-A1113 HydrophobicContact CB-CB 3.68Å; L403-A1113 HydrophobicContact CB-CB 4.05Å; L403-A1113 HydrophobicContact CD1-CB 4.04Å; N404-A1113 PolarHBondContact ND2-O 3.41Å; E1109-A1113 WeakPolarHBondContact O-CB 3.42Å; E1109-A1113 PolarHBondContact O-N 2.95Å; Q1110-A1113 WeakPolarHBondContact O-CB 3.2Å; Q1110-A1113 PolarHBondContact O-N 2.9Å; Q1110-A1113 VanDerWaalsContact O-N 3.11Å; W1111-A1113 VanDerWaalsContact C-N 3.33Å; A1113-G1115 PolarHBondContact O-N 3.27Å |
| 1114 | E | 80 | Confident | 71.3 | Confident | 124 Ų | 124 | 51.8 Ų | 51.8 | 58% | 0.579 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -3.6 | 173.7 | -72.2 | 169.5 | -165 | 0 | 0 | 112.9 | Q1110 W1111 L1112 | Q1110-E1114 WeakPolarHBondContact CG-OE1 3.42Å; Q1110-E1114 PolarHBondContact NE2-OE1 3.22Å; Q1110-E1114 WeakPolarHBondContact O-CG 3.3Å; Q1110-E1114 PolarHBondContact O-N 3.07Å; W1111-E1114 PolarHBondContact O-N 3.49Å; L1112-E1114 VanDerWaalsContact C-N 3.34Å |
| 1115 | G | 75.2 | Confident | 69.8 | Low | 65 Ų | 65 | 57.6 Ų | 57.6 | 67% | 0.67 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | 12.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1112 A1113 G1117 | L1112-G1115 PolarHBondContact O-N 3.21Å; L1112-G1115 VanDerWaalsContact O-N 3.16Å; A1113-G1115 PolarHBondContact O-N 3.27Å; G1115-G1117 PolarHBondContact O-N 3.23Å |
| 1116 | G | 67.4 | Low | 68 | Low | 16 Ų | 16 | 62.2 Ų | 62.2 | 17% | 0.165 | 34% | 0.335 | C | S | . | . | trans | -63.8 | -11.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | W1111 I1119 | W1111-G1116 VanDerWaalsContact NE1-C 3.28Å; W1111-G1116 PolarHBondContact NE1-O 3.44Å; W1111-G1116 VanDerWaalsContact NE1-O 3.15Å; W1111-G1116 WeakPolarHBondContact O-CA 3.32Å; W1111-G1116 PolarHBondContact O-N 2.98Å; G1116-I1119 WeakPolarHBondContact O-CD1 3.36Å; G1116-I1119 WeakPolarHBondContact O-CG1 3.45Å | ||
| 1117 | G | 71.9 | Confident | 66.4 | Low | 33 Ų | 33 | 67.7 Ų | 67.7 | 34% | 0.34 | 35% | 0.352 | S | S | . | . | trans | 55.6 | -178.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | W1111 G1115 | W1111-G1117 PolarHBondContact NE1-O 2.96Å; G1115-G1117 PolarHBondContact O-N 3.23Å | ||
| 1118 | L | 73.5 | Confident | 64.8 | Low | 24 Ų | 24 | 67.1 Ų | 67.1 | 13% | 0.126 | 35% | 0.354 | C | S | . | . | trans | -89.8 | 107.3 | 163.3 | -67.4 | 171.6 | 0 | 0 | 0 | 107 | D865 Y872 F953 L1112 | D865-L1118 HydrophobicContact CB-CD2 4.14Å; Y872-L1118 HydrophobicContact CD2-CB 4.32Å; Y872-L1118 WeakPolarHBondContact CE2-O 3.35Å; F953-L1118 HydrophobicContact CE1-CD1 3.69Å; F953-L1118 HydrophobicContact CE2-CD1 4.03Å; F953-L1118 HydrophobicContact CZ-CD1 3.31Å; L1112-L1118 HydrophobicContact CD2-CD2 4.38Å; L1112-L1118 HydrophobicContact CD2-CG 4.41Å | ||
| 1119 | I | 72 | Confident | 62.7 | Low | 56 Ų | 56 | 74.7 Ų | 74.7 | 29% | 0.287 | 39% | 0.387 | S | S | . | . | trans | -106.6 | 137.7 | 178.3 | -58.6 | 172.4 | 0 | 0 | 0 | 108.4 | D865 I866 W1111 G1116 D1123 | D865-I1119 CarbonylContact C-O 3.58Å; D865-I1119 WeakPolarHBondContact CA-O 3.39Å; I866-I1119 PolarHBondContact N-O 3.25Å; W1111-I1119 HydrophobicContact CZ2-CD1 4.28Å; G1116-I1119 WeakPolarHBondContact O-CD1 3.36Å; G1116-I1119 WeakPolarHBondContact O-CG1 3.45Å; I1119-D1123 HydrophobicContact CG2-CB 4.22Å | ||
| 1120 | G | 65.6 | Low | 60.7 | Low | 2 Ų | 2 | 77.9 Ų | 77.9 | 2% | 0.021 | 42% | 0.416 | C | S | . | . | B | Isolated β-bridge | trans | -68.7 | 146.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y872 D1122 D1123 | Y872-G1120 VanDerWaalsContact CE1-N 3.33Å; G1120-D1122 PolarHBondContact O-N 3.47Å; G1120-D1123 PolarHBondContact O-N 3.33Å |
| 1121 | H | 60 | Low | 58.8 | Low | 56 Ų | 56 | 82.4 Ų | 82.4 | 26% | 0.259 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32.1 | -179.8 | -174.8 | -80.2 | 0 | 0 | 0 | 113.5 | F864 Y1125 | F864-H1121 PolarHBondContact O-N 3.12Å; H1121-Y1125 AromaticContact CE1-CE2 3.92Å |
| 1122 | D | 55.8 | Low | 56.6 | Low | 65 Ų | 65 | 87 Ų | 87 | 35% | 0.348 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -80.8 | -16.7 | -173 | -76.2 | -4.6 | 0 | 0 | 0 | 114.2 | G1120 R1124 | G1120-D1122 PolarHBondContact O-N 3.47Å; D1122-R1124 PolarHBondContact O-N 3.5Å |
| 1123 | D | 52.8 | Low | 54.5 | Low | 84 Ų | 84 | 89.6 Ų | 89.6 | 45% | 0.449 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.5 | -25.6 | -175.1 | -81.7 | -31.8 | 0 | 0 | 0 | 113.8 | I1119 G1120 | I1119-D1123 HydrophobicContact CG2-CB 4.22Å; G1120-D1123 PolarHBondContact O-N 3.33Å |
| 1124 | R | 44.7 | Very low | 52.3 | Low | 138 Ų | 138 | 98.7 Ų | 98.7 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -85.8 | -35.6 | 178.1 | -72.8 | -169.9 | -157.7 | -172.3 | 5.9 | 113.7 | I866 D1122 F1126 | I866-R1124 VanDerWaalsContact CD1-CZ 3.44Å; D1122-R1124 PolarHBondContact O-N 3.5Å; R1124-F1126 VanDerWaalsContact C-N 3.3Å; R1124-F1126 PolarHBondContact O-N 3Å |
| 1125 | Y | 41.8 | Very low | 50.1 | Low | 136 Ų | 136 | 99.5 Ų | 99.5 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.1 | -27.7 | -178 | -88.4 | -84.7 | 0 | 0 | 0 | 112.6 | H1121 | H1121-Y1125 AromaticContact CE1-CE2 3.92Å |
| 1126 | F | 37.7 | Very low | 48.2 | Very low | 148 Ų | 148 | 103.6 Ų | 103.6 | 65% | 0.649 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -87.9 | -32.4 | -179.7 | -93 | -87 | 0 | 0 | 0 | 114.6 | R1124 A1130 | R1124-F1126 VanDerWaalsContact C-N 3.3Å; R1124-F1126 PolarHBondContact O-N 3Å; F1126-A1130 VanDerWaalsContact O-CB 3.22Å; F1126-A1130 WeakPolarHBondContact O-CB 3.41Å; F1126-A1130 PolarHBondContact O-N 3.36Å |
| 1127 | K | 38.6 | Very low | 46.9 | Very low | 179 Ų | 179 | 111.5 Ų | 111.5 | 78% | 0.778 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -72.1 | -30.6 | 178 | -91 | 179.8 | 175.9 | 175.3 | 0 | 113.7 | ||
| 1128 | G | 37.9 | Very low | 45.1 | Very low | 63 Ų | 63 | 117.4 Ų | 117.4 | 65% | 0.649 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -77.9 | -26 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1129 | K | 37.8 | Very low | 43.4 | Very low | 161 Ų | 161 | 122 Ų | 122 | 70% | 0.7 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -100.2 | -11.1 | 178.5 | -88 | -178.2 | 175.4 | 176.8 | 0 | 114.7 | L1131 F1132 | K1129-L1131 PolarHBondContact O-N 3.37Å; K1129-F1132 PolarHBondContact O-N 3.23Å |
| 1130 | A | 39.1 | Very low | 41.7 | Very low | 84 Ų | 84 | 128 Ų | 128 | 69% | 0.694 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -11.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1126 | F1126-A1130 VanDerWaalsContact O-CB 3.22Å; F1126-A1130 WeakPolarHBondContact O-CB 3.41Å; F1126-A1130 PolarHBondContact O-N 3.36Å |
| 1131 | L | 39.7 | Very low | 40.1 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 79% | 0.791 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -9.9 | 175.6 | -98 | 148.5 | 0 | 0 | 0 | 114.1 | K1129 | K1129-L1131 PolarHBondContact O-N 3.37Š|
| 1132 | F | 35.2 | Very low | 38.7 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 73% | 0.732 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -135.4 | 127.7 | 175.7 | -78.4 | -90.7 | 0 | 0 | 0 | 109.4 | K1129 | K1129-F1132 PolarHBondContact O-N 3.23Š|
| 1133 | T | 38 | Very low | 37.9 | Very low | 113 Ų | 113 | 147.6 Ų | 147.6 | 69% | 0.693 | 72% | 0.719 | S | S | * | * | trans | 95.2 | 91.8 | 172.7 | 73.6 | 0 | 0 | 0 | 0 | 117.9 | N1135 | T1133-N1135 VanDerWaalsContact C-N 3.31Å; T1133-N1135 PolarHBondContact O-N 3.49Å | ||
| 1134 | K | 33.8 | Very low | 37.1 | Very low | 207 Ų | 207 | 154.3 Ų | 154.3 | 90% | 0.9 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -63.5 | 86.8 | 148 | -74.3 | 174.4 | 174.6 | 172.2 | 0 | 109 | ||
| 1135 | N | 33.2 | Very low | 37.1 | Very low | 142 Ų | 142 | 151.2 Ų | 151.2 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | -170.8 | 72.1 | 158.5 | -97.8 | -21.1 | 0 | 0 | 0 | 111.5 | T1133 Q1137 | T1133-N1135 VanDerWaalsContact C-N 3.31Å; T1133-N1135 PolarHBondContact O-N 3.49Å; N1135-Q1137 PolarHBondContact O-N 3.48Å | ||
| 1136 | I | 36.1 | Very low | 37.3 | Very low | 151 Ų | 151 | 150.3 Ų | 150.3 | 77% | 0.774 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 72.2 | -175.5 | -54.5 | 171.3 | 0 | 0 | 0 | 109.9 | ||
| 1137 | Q | 39.1 | Very low | 37.8 | Very low | 182 Ų | 182 | 147.9 Ų | 147.9 | 85% | 0.85 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.8 | -13.9 | 163 | -72.8 | -166.6 | -13.1 | 0 | 0 | 115 | N1135 | N1135-Q1137 PolarHBondContact O-N 3.48Š|
| 1138 | N | 35.7 | Very low | 38.7 | Very low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -111.5 | 5.1 | -175.7 | -78.1 | -16.7 | 0 | 0 | 0 | 116.7 | ||
| 1139 | I | 38.1 | Very low | 39.7 | Very low | 120 Ų | 120 | 139 Ų | 139 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | trans | -92.7 | 4.9 | -174.1 | -59.7 | 171.7 | 0 | 0 | 0 | 113.4 | K1141 | I1139-K1141 VanDerWaalsContact C-N 3.31Å; I1139-K1141 PolarHBondContact O-N 2.8Å | ||
| 1140 | K | 34.8 | Very low | 41 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 80% | 0.796 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -1.1 | -176.9 | -81.2 | -175.1 | 176.8 | 178.8 | 0 | 115.9 | ||
| 1141 | K | 31.9 | Very low | 42.3 | Very low | 197 Ų | 197 | 137 Ų | 137 | 86% | 0.857 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -8.6 | -170.8 | -87.8 | -176.5 | 174.7 | 178.4 | 0 | 117.1 | I1139 | I1139-K1141 VanDerWaalsContact C-N 3.31Å; I1139-K1141 PolarHBondContact O-N 2.8Å |
| 1142 | D | 31.8 | Very low | 43.8 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 81% | 0.813 | 65% | 0.647 | S | S | * | * | trans | -106.6 | 48.5 | 179.4 | -75.1 | -32 | 0 | 0 | 0 | 113.8 | R1144 | D1142-R1144 VanDerWaalsContact C-N 3.34Å; D1142-R1144 PolarHBondContact O-N 3.49Å | ||
| 1143 | R | 37.7 | Very low | 45.7 | Very low | 185 Ų | 185 | 126.6 Ų | 126.6 | 70% | 0.698 | 62% | 0.619 | S | S | * | * | trans | -89.5 | 60 | 171.6 | -71.8 | -173.6 | 173 | -162.9 | -6.3 | 111.8 | ||||
| 1144 | R | 37.3 | Very low | 47.5 | Very low | 224 Ų | 224 | 124.5 Ų | 124.5 | 85% | 0.845 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -100 | 124 | 167.6 | -64.9 | -170.5 | -159.3 | -168.8 | 6.6 | 108.9 | D1142 | D1142-R1144 VanDerWaalsContact C-N 3.34Å; D1142-R1144 PolarHBondContact O-N 3.49Å |
| 1145 | P | 44.3 | Very low | 49.7 | Very low | 73 Ų | 73 | 116 Ų | 116 | 47% | 0.474 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 142.1 | 172.4 | 24.4 | -31.1 | 0 | 0 | 0 | 109.4 | L1149 L1150 | P1145-L1149 HydrophobicContact CB-CD2 4.04Å; P1145-L1150 HydrophobicContact CG-CD1 4.13Å |
| 1146 | F | 46 | Very low | 52.2 | Low | 117 Ų | 117 | 110.6 Ų | 110.6 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -49 | 133.4 | 174.9 | -118.8 | -95.6 | 0 | 0 | 0 | 109.5 | G1148 L1149 | F1146-G1148 PolarHBondContact O-N 2.85Å; F1146-G1148 VanDerWaalsContact O-N 3.1Å; F1146-L1149 VanDerWaalsContact O-CB 3.22Å; F1146-L1149 WeakPolarHBondContact O-CB 3.46Å; F1146-L1149 PolarHBondContact O-N 2.8Å |
| 1147 | P | 46.9 | Very low | 54.6 | Low | 98 Ų | 98 | 103.8 Ų | 103.8 | 64% | 0.636 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -55.7 | -32.5 | -175.2 | 14.8 | -26.5 | 0 | 0 | 0 | 113.3 | L1149 L1150 | P1147-L1149 VanDerWaalsContact C-N 3.29Å; P1147-L1149 PolarHBondContact O-N 3.5Å; P1147-L1150 PolarHBondContact O-N 3.49Å |
| 1148 | G | 57.5 | Low | 57 | Low | 35 Ų | 35 | 95.6 Ų | 95.6 | 36% | 0.361 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.9 | -26.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | F1146 L1150 E1151 I1152 | F1146-G1148 PolarHBondContact O-N 2.85Å; F1146-G1148 VanDerWaalsContact O-N 3.1Å; G1148-L1150 VanDerWaalsContact C-N 3.32Å; G1148-L1150 PolarHBondContact O-N 2.91Å; G1148-E1151 PolarHBondContact O-N 3.31Å; G1148-I1152 WeakPolarHBondContact O-CG1 3.28Å; G1148-I1152 PolarHBondContact O-N 3.3Å |
| 1149 | L | 60.8 | Low | 59.6 | Low | 19 Ų | 19 | 90.6 Ų | 90.6 | 10% | 0.099 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -68.3 | -33.3 | 178.5 | -154.1 | 85.3 | 0 | 0 | 0 | 111.7 | F864 G868 P1145 F1146 P1147 | F864-L1149 HydrophobicContact CB-CD2 4.35Å; F864-L1149 HydrophobicContact CD2-CD2 3.79Å; F864-L1149 HydrophobicContact CE2-CD2 4.45Å; F864-L1149 HydrophobicContact CG-CD2 4.24Å; G868-L1149 VanDerWaalsContact CA-CD1 3.45Å; P1145-L1149 HydrophobicContact CB-CD2 4.04Å; F1146-L1149 VanDerWaalsContact O-CB 3.22Å; F1146-L1149 WeakPolarHBondContact O-CB 3.46Å; F1146-L1149 PolarHBondContact O-N 2.8Å; P1147-L1149 VanDerWaalsContact C-N 3.29Å; P1147-L1149 PolarHBondContact O-N 3.5Å |
| 1150 | L | 63.9 | Low | 62 | Low | 91 Ų | 91 | 87 Ų | 87 | 48% | 0.476 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70.2 | -36.9 | 176.6 | -85.9 | 134.6 | 0 | 0 | 0 | 111.9 | P1145 P1147 G1148 I1152 R1153 | P1145-L1150 HydrophobicContact CG-CD1 4.13Å; P1147-L1150 PolarHBondContact O-N 3.49Å; G1148-L1150 VanDerWaalsContact C-N 3.32Å; G1148-L1150 PolarHBondContact O-N 2.91Å; L1150-I1152 VanDerWaalsContact C-N 3.28Å; L1150-I1152 PolarHBondContact O-N 3.44Å; L1150-R1153 PolarHBondContact O-N 2.95Å |
| 1151 | E | 65.6 | Low | 64.6 | Low | 114 Ų | 114 | 78.4 Ų | 78.4 | 53% | 0.533 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 178.4 | -67 | -175.8 | 176.7 | 0 | 0 | 112.3 | K692 G1148 R1153 Q1154 | K692-E1151 PolarHBondContact NZ-O 3.04Å; K692-E1151 VanDerWaalsContact NZ-O 3.12Å; G1148-E1151 PolarHBondContact O-N 3.31Å; E1151-R1153 VanDerWaalsContact C-N 3.3Å; E1151-R1153 PolarHBondContact O-N 3.33Å; E1151-Q1154 PolarHBondContact O-N 3.04Å |
| 1152 | I | 72.2 | Confident | 67.2 | Low | 64 Ų | 64 | 70.8 Ų | 70.8 | 33% | 0.328 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.4 | -35.3 | 178.1 | -69.3 | 170.3 | 0 | 0 | 0 | 110.9 | T867 M869 G1148 L1150 Q1154 R1155 | T867-I1152 WeakPolarHBondContact O-CD1 3.34Å; M869-I1152 HydrophobicContact CG-CG2 4.18Å; M869-I1152 HydrophobicContact SD-CG2 3.22Å; M869-I1152 WeakPolarHBondContact SD-CG2 3.16Å; G1148-I1152 WeakPolarHBondContact O-CG1 3.28Å; G1148-I1152 PolarHBondContact O-N 3.3Å; L1150-I1152 VanDerWaalsContact C-N 3.28Å; L1150-I1152 PolarHBondContact O-N 3.44Å; I1152-Q1154 VanDerWaalsContact C-N 3.26Å; I1152-Q1154 PolarHBondContact O-N 3.36Å; I1152-R1155 VanDerWaalsContact CG2-NH1 3.34Å; I1152-R1155 WeakPolarHBondContact O-CG 3.47Å; I1152-R1155 PolarHBondContact O-NH1 3.09Å |
| 1153 | R | 75.3 | Confident | 69.6 | Low | 35 Ų | 35 | 63.8 Ų | 63.8 | 13% | 0.132 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.8 | -19.1 | -179.7 | -67.7 | -176.8 | 68.9 | -165.8 | -0.8 | 114.3 | Y871 S924 L1150 E1151 R1155 | Y871-R1153 PolarHBondContact OH-NH2 2.91Å; S924-R1153 PolarHBondContact O-NE 2.81Å; S924-R1153 PolarHBondContact O-NH2 3.4Å; L1150-R1153 PolarHBondContact O-N 2.95Å; E1151-R1153 VanDerWaalsContact C-N 3.3Å; E1151-R1153 PolarHBondContact O-N 3.33Å; R1153-R1155 PolarHBondContact O-N 3.1Å |
| 1154 | Q | 75 | Confident | 71.5 | Confident | 69 Ų | 69 | 56.6 Ų | 56.6 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | trans | -76.3 | 26.6 | -174.3 | -63.8 | 179.5 | -10.8 | 0 | 0 | 114.5 | E1151 I1152 F1344 | E1151-Q1154 PolarHBondContact O-N 3.04Å; I1152-Q1154 VanDerWaalsContact C-N 3.26Å; I1152-Q1154 PolarHBondContact O-N 3.36Å; Q1154-F1344 HydrophobicContact CG-CD1 4.48Å | ||
| 1155 | R | 81.4 | Confident | 73.6 | Confident | 27 Ų | 27 | 48.3 Ų | 48.3 | 10% | 0.102 | 26% | 0.261 | C | S | . | . | trans | -74.7 | 146.3 | 175.4 | -62.3 | -175.6 | -55.5 | -88.8 | 13.7 | 110 | M869 I1152 R1153 | M869-R1155 PolarHBondContact O-NH2 3.5Å; M869-R1155 VanDerWaalsContact SD-CZ 3.54Å; M869-R1155 PolarHBondContact SD-NH1 3.35Å; I1152-R1155 VanDerWaalsContact CG2-NH1 3.34Å; I1152-R1155 WeakPolarHBondContact O-CG 3.47Å; I1152-R1155 PolarHBondContact O-NH1 3.09Å; R1153-R1155 PolarHBondContact O-N 3.1Å | ||
| 1156 | P | 84.1 | Confident | 75.2 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 19% | 0.188 | 27% | 0.268 | C | S | . | . | trans | -61.5 | 147.2 | 173.9 | 28.5 | -36 | 0 | 0 | 0 | 110.5 | I686 N925 L1341 C1342 | I686-P1156 HydrophobicContact CB-CG 4.15Å; I686-P1156 HydrophobicContact CG2-CG 4Å; I686-P1156 WeakPolarHBondContact O-CG 3.48Å; N925-P1156 PolarHBondContact ND2-O 3.31Å; P1156-L1341 HydrophobicContact CB-CB 4.3Å; P1156-C1342 WeakPolarHBondContact CA-O 3.49Å | ||
| 1157 | R | 87.1 | Confident | 76.8 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 3% | 0.03 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 144.8 | 171.9 | 71.1 | 178.6 | -171.3 | -135 | -6.2 | 110.5 | F926 E1159 L1341 C1342 | F926-R1157 HydrophobicContact CE1-CB 4.47Å; R1157-E1159 IonicContact CZ-OE2 3.15Å; R1157-E1159 VanDerWaalsContact CZ-OE2 3.25Å; R1157-E1159 IonicContact NE-OE2 3.94Å; R1157-E1159 PolarHBondContact NE-OE2 3.44Å; R1157-E1159 IonicContact NH2-OE2 2.63Å; R1157-E1159 PolarHBondContact NH2-OE2 3.2Å; R1157-L1341 WeakPolarHBondContact O-CA 3.47Å; R1157-C1342 HydrophobicContact CG-CB 4.1Å; R1157-C1342 PolarHBondContact N-O 2.97Å; R1157-C1342 PolarHBondContact O-N 3.37Å |
| 1158 | I | 89.8 | Confident | 78.5 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 129.7 | 172.1 | -64.5 | 152.8 | 0 | 0 | 0 | 108 | Q429 I432 A433 F436 L1341 | Q429-I1158 HydrophobicContact CG-CD1 4.29Å; I432-I1158 VanDerWaalsContact CG2-O 3.26Å; I432-I1158 WeakPolarHBondContact CG2-O 3.1Å; A433-I1158 HydrophobicContact CB-CG2 3.82Å; F436-I1158 HydrophobicContact CD2-CD1 4.34Å; F436-I1158 HydrophobicContact CD2-CG2 3.71Å; F436-I1158 HydrophobicContact CE1-CD1 3.87Å; F436-I1158 HydrophobicContact CE2-CD1 3.55Å; F436-I1158 HydrophobicContact CE2-CG1 3.92Å; F436-I1158 HydrophobicContact CE2-CG2 3.86Å; F436-I1158 HydrophobicContact CG-CG2 4.37Å; F436-I1158 HydrophobicContact CZ-CD1 3.27Å; F436-I1158 HydrophobicContact CZ-CG1 4.15Å; I1158-L1341 HydrophobicContact CG1-CD2 3.61Å |
| 1159 | E | 89.2 | Confident | 79.5 | Confident | 52 Ų | 52 | 39.9 Ų | 39.9 | 24% | 0.243 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 155.2 | 179.1 | -164.1 | 167.8 | 168.8 | 0 | 0 | 110.9 | R1157 I1161 C1340 | R1157-E1159 IonicContact CZ-OE2 3.15Å; R1157-E1159 VanDerWaalsContact CZ-OE2 3.25Å; R1157-E1159 IonicContact NE-OE2 3.94Å; R1157-E1159 PolarHBondContact NE-OE2 3.44Å; R1157-E1159 IonicContact NH2-OE2 2.63Å; R1157-E1159 PolarHBondContact NH2-OE2 3.2Å; E1159-I1161 HydrophobicContact CG-CG1 4.35Å; E1159-C1340 PolarHBondContact N-O 3.25Å; E1159-C1340 PolarHBondContact O-N 2.86Å |
| 1160 | Q | 89.2 | Confident | 80.1 | Confident | 45 Ų | 45 | 43.8 Ų | 43.8 | 21% | 0.21 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 122.4 | 168.9 | -85.8 | -177.3 | 5.1 | 0 | 0 | 109.6 | A433 P434 V1337 I1338 F1339 | A433-Q1160 HydrophobicContact CB-CG 3.83Å; P434-Q1160 PolarHBondContact O-NE2 2.79Å; Q1160-V1337 HydrophobicContact CB-CG1 3.64Å; Q1160-V1337 HydrophobicContact CG-CG1 3.93Å; Q1160-I1338 WeakPolarHBondContact CA-O 3.25Å; Q1160-F1339 HydrophobicContact CG-CD1 3.93Å; Q1160-F1339 HydrophobicContact CG-CE1 4.09Å; Q1160-F1339 VanDerWaalsContact NE2-CZ 3.27Å |
| 1161 | I | 89.2 | Confident | 80.3 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 126.2 | -178.4 | -56.4 | 178.8 | 0 | 0 | 0 | 109.1 | E1159 N1165 L1168 I1196 I1338 C1340 | E1159-I1161 HydrophobicContact CG-CG1 4.35Å; I1161-N1165 HydrophobicContact CG2-CB 3.46Å; I1161-N1165 VanDerWaalsContact CG2-CB 3.46Å; I1161-L1168 HydrophobicContact CB-CD1 3.87Å; I1161-L1168 HydrophobicContact CG2-CD1 3.45Å; I1161-L1168 VanDerWaalsContact CG2-CD1 3.45Å; I1161-L1168 HydrophobicContact CG2-CG 3.8Å; I1161-I1196 HydrophobicContact CD1-CD1 4.22Å; I1161-I1338 PolarHBondContact N-O 3.4Å; I1161-I1338 PolarHBondContact O-N 3.05Å; I1161-C1340 HydrophobicContact CD1-CB 4.39Å |
| 1162 | S | 86.2 | Confident | 80.3 | Confident | 36 Ų | 36 | 41.8 Ų | 41.8 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 144.5 | 170.3 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | T1164 N1165 | S1162-T1164 WeakPolarHBondContact CB-OG1 3.38Å; S1162-T1164 PolarHBondContact O-N 3.41Å; S1162-T1164 VanDerWaalsContact O-N 3.09Å; S1162-T1164 PolarHBondContact OG-N 2.89Å; S1162-T1164 PolarHBondContact OG-OG1 3.11Å; S1162-N1165 WeakPolarHBondContact O-CB 3.48Å; S1162-N1165 PolarHBondContact O-N 3.33Å |
| 1163 | L | 83.4 | Confident | 79.9 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17.5 | 174.6 | -72.5 | 171.1 | 0 | 0 | 0 | 113.5 | N1165 L1168 L1179 L1186 L1332 Y1333 D1336 I1338 | L1163-N1165 VanDerWaalsContact C-N 3.27Å; L1163-L1168 HydrophobicContact CD2-CD1 4.47Å; L1163-L1179 HydrophobicContact CB-CD2 4.4Å; L1163-L1179 VanDerWaalsContact O-CD2 3.23Å; L1163-L1179 WeakPolarHBondContact O-CD2 3.43Å; L1163-L1186 HydrophobicContact CD2-CD1 4.4Å; L1163-L1186 HydrophobicContact CD2-CD2 3.59Å; L1163-L1332 HydrophobicContact CD1-CB 4.16Å; L1163-L1332 HydrophobicContact CD2-CD1 4.23Å; L1163-Y1333 WeakPolarHBondContact CD1-O 3.43Å; L1163-D1336 HydrophobicContact CD1-CB 3.76Å; L1163-I1338 HydrophobicContact CD2-CD1 4.12Å; L1163-I1338 HydrophobicContact CD2-CG1 3.9Å; L1163-I1338 HydrophobicContact CG-CD1 4.43Å; L1163-I1338 HydrophobicContact CG-CG1 4.29Å |
| 1164 | T | 76.8 | Confident | 79 | Confident | 33 Ų | 33 | 52 Ų | 52 | 20% | 0.202 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -7.4 | 173.5 | 52.1 | 0 | 0 | 0 | 0 | 113.9 | S1162 I1169 D1310 | S1162-T1164 WeakPolarHBondContact CB-OG1 3.38Å; S1162-T1164 PolarHBondContact O-N 3.41Å; S1162-T1164 VanDerWaalsContact O-N 3.09Å; S1162-T1164 PolarHBondContact OG-N 2.89Å; S1162-T1164 PolarHBondContact OG-OG1 3.11Å; T1164-I1169 WeakPolarHBondContact O-CD1 3.29Å; T1164-D1310 WeakPolarHBondContact CB-OD1 3.42Å; T1164-D1310 WeakPolarHBondContact CG2-OD1 3.11Å; T1164-D1310 VanDerWaalsContact OG1-CG 3.23Å; T1164-D1310 PolarHBondContact OG1-OD1 2.94Å; T1164-D1310 PolarHBondContact OG1-OD2 2.98Å |
| 1165 | N | 82.2 | Confident | 78.4 | Confident | 51 Ų | 51 | 51.2 Ų | 51.2 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -71.4 | 138 | 178.8 | -168.4 | -45.9 | 0 | 0 | 0 | 110.8 | I1161 S1162 L1163 R1167 L1168 I1169 | I1161-N1165 HydrophobicContact CG2-CB 3.46Å; I1161-N1165 VanDerWaalsContact CG2-CB 3.46Å; S1162-N1165 WeakPolarHBondContact O-CB 3.48Å; S1162-N1165 PolarHBondContact O-N 3.33Å; L1163-N1165 VanDerWaalsContact C-N 3.27Å; N1165-R1167 PolarHBondContact O-N 2.78Å; N1165-R1167 WeakPolarHBondContact OD1-CG 3.23Å; N1165-R1167 PolarHBondContact OD1-N 2.95Å; N1165-R1167 VanDerWaalsContact OD1-N 3.09Å; N1165-L1168 PolarHBondContact O-N 3.19Å; N1165-I1169 WeakPolarHBondContact O-CG1 3.44Å; N1165-I1169 PolarHBondContact O-N 2.88Å |
| 1166 | S | 77 | Confident | 77.4 | Confident | 91 Ų | 91 | 54 Ų | 54 | 64% | 0.636 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -27 | 179.6 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | L1168 | S1166-L1168 VanDerWaalsContact C-N 3.29Å; S1166-L1168 PolarHBondContact O-N 3.46Å |
| 1167 | R | 80.3 | Confident | 76.5 | Confident | 34 Ų | 34 | 56.9 Ų | 56.9 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17.8 | 178.7 | -58.2 | 175.3 | -170.2 | -154.2 | -10.4 | 114.2 | N1165 Y1194 I1196 E1345 Y1350 | N1165-R1167 PolarHBondContact O-N 2.78Å; N1165-R1167 WeakPolarHBondContact OD1-CG 3.23Å; N1165-R1167 PolarHBondContact OD1-N 2.95Å; N1165-R1167 VanDerWaalsContact OD1-N 3.09Å; R1167-Y1194 HydrophobicContact CB-CE2 4.47Å; R1167-Y1194 VanDerWaalsContact O-CD2 3.24Å; R1167-Y1194 WeakPolarHBondContact O-CD2 3.16Å; R1167-Y1194 WeakPolarHBondContact O-CE2 3.41Å; R1167-I1196 HydrophobicContact CB-CD1 4.36Å; R1167-E1345 IonicContact CZ-OE1 3.02Å; R1167-E1345 IonicContact CZ-OE2 3.47Å; R1167-E1345 IonicContact NE-OE1 3.94Å; R1167-E1345 IonicContact NH1-OE1 2.65Å; R1167-E1345 PolarHBondContact NH1-OE1 2.8Å; R1167-E1345 IonicContact NH1-OE2 3.4Å; R1167-E1345 PolarHBondContact NH1-OE2 3.06Å; R1167-E1345 VanDerWaalsContact NH2-CD 3.33Å; R1167-E1345 IonicContact NH2-OE1 3.1Å; R1167-E1345 PolarHBondContact NH2-OE1 2.87Å; R1167-E1345 VanDerWaalsContact NH2-OE1 3.1Å; R1167-E1345 IonicContact NH2-OE2 2.74Å; R1167-E1345 PolarHBondContact NH2-OE2 3.02Å; R1167-Y1350 PolarHBondContact NH2-OH 3.03Å |
| 1168 | L | 81.7 | Confident | 75.8 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -1 | -178.3 | -64.4 | -172.9 | 0 | 0 | 0 | 112.9 | I1161 L1163 N1165 S1166 F1180 L1186 A1190 I1338 | I1161-L1168 HydrophobicContact CB-CD1 3.87Å; I1161-L1168 HydrophobicContact CG2-CD1 3.45Å; I1161-L1168 VanDerWaalsContact CG2-CD1 3.45Å; I1161-L1168 HydrophobicContact CG2-CG 3.8Å; L1163-L1168 HydrophobicContact CD2-CD1 4.47Å; N1165-L1168 PolarHBondContact O-N 3.19Å; S1166-L1168 VanDerWaalsContact C-N 3.29Å; S1166-L1168 PolarHBondContact O-N 3.46Å; L1168-F1180 VanDerWaalsContact O-CD2 3.28Å; L1168-F1180 WeakPolarHBondContact O-CD2 3.45Å; L1168-F1180 VanDerWaalsContact O-CE2 3.26Å; L1168-F1180 WeakPolarHBondContact O-CE2 3.48Å; L1168-L1186 HydrophobicContact CB-CD1 3.96Å; L1168-L1186 HydrophobicContact CD2-CD1 4.06Å; L1168-L1186 HydrophobicContact CG-CD1 4.4Å; L1168-A1190 HydrophobicContact CD2-CB 3.95Å; L1168-I1338 HydrophobicContact CD1-CB 4.47Å; L1168-I1338 HydrophobicContact CD1-CG1 4.19Å |
| 1169 | I | 79.1 | Confident | 75.1 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -92.7 | 139.6 | -178.6 | -77 | 165.8 | 0 | 0 | 0 | 109.6 | T1164 N1165 I1177 L1179 | T1164-I1169 WeakPolarHBondContact O-CD1 3.29Å; N1165-I1169 WeakPolarHBondContact O-CG1 3.44Å; N1165-I1169 PolarHBondContact O-N 2.88Å; I1169-I1177 HydrophobicContact CB-CG2 4.37Å; I1169-I1177 HydrophobicContact CD1-CG2 3.86Å; I1169-I1177 HydrophobicContact CG1-CG2 4.1Å; I1169-I1177 HydrophobicContact CG2-CB 3.89Å; I1169-I1177 HydrophobicContact CG2-CG1 3.83Å; I1169-I1177 HydrophobicContact CG2-CG2 3.39Å; I1169-L1179 HydrophobicContact CG1-CD2 4.13Å |
| 1170 | K | 73.7 | Confident | 74.8 | Confident | 102 Ų | 102 | 60.3 Ų | 60.3 | 44% | 0.443 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 137.1 | 166.4 | -169.9 | 178.1 | 179.2 | -175.1 | 0 | 109.9 | T1178 F1180 | K1170-T1178 PolarHBondContact N-O 3.37Å; K1170-T1178 PolarHBondContact O-N 2.9Å; K1170-T1178 PolarHBondContact O-OG1 3.46Å; K1170-F1180 HydrophobicContact CB-CE2 4.05Å; K1170-F1180 HydrophobicContact CB-CZ 3.85Å; K1170-F1180 HydrophobicContact CD-CE1 4.43Å; K1170-F1180 HydrophobicContact CD-CZ 4.35Å |
| 1171 | T | 69 | Low | 74.6 | Confident | 98 Ų | 98 | 67.9 Ų | 67.9 | 60% | 0.601 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.7 | 164.9 | 48.7 | 0 | 0 | 0 | 0 | 108.8 | ||
| 1172 | D | 64.5 | Low | 74.6 | Confident | 64 Ų | 64 | 70.1 Ų | 70.1 | 34% | 0.342 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 161.5 | 170.3 | -79.7 | 5.8 | 0 | 0 | 0 | 110 | N1174 G1175 Q1176 T1178 | D1172-N1174 PolarHBondContact O-N 3.49Å; D1172-G1175 PolarHBondContact O-N 3.02Å; D1172-Q1176 PolarHBondContact N-O 3.43Å; D1172-T1178 HydrophobicContact CB-CG2 4.41Å; D1172-T1178 WeakPolarHBondContact OD1-CG2 3.46Å; D1172-T1178 PolarHBondContact OD1-OG1 2.74Å; D1172-T1178 WeakPolarHBondContact OD2-CG2 3.16Å |
| 1173 | N | 64.3 | Low | 74.8 | Confident | 173 Ų | 173 | 68.4 Ų | 68.4 | 93% | 0.925 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -19.5 | 179.6 | -66.1 | -10.9 | 0 | 0 | 0 | 114.1 | ||
| 1174 | N | 56.6 | Low | 75.1 | Confident | 141 Ų | 141 | 68.4 Ų | 68.4 | 75% | 0.754 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 7.1 | 177.6 | -64.2 | -10.8 | 0 | 0 | 0 | 113.8 | D1172 Q1176 | D1172-N1174 PolarHBondContact O-N 3.49Å; N1174-Q1176 PolarHBondContact O-N 3.49Å |
| 1175 | G | 62.2 | Low | 75.7 | Confident | 53 Ų | 53 | 70.9 Ų | 70.9 | 55% | 0.546 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 72.7 | 10.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1172 | D1172-G1175 PolarHBondContact O-N 3.02Š|
| 1176 | Q | 60.6 | Low | 76.1 | Confident | 85 Ų | 85 | 68.5 Ų | 68.5 | 40% | 0.397 | 36% | 0.364 | S | S | . | . | trans | -83.4 | 134.6 | 176 | -72.1 | -173.5 | 1.1 | 0 | 0 | 110.6 | D1172 N1174 T1178 | D1172-Q1176 PolarHBondContact N-O 3.43Å; N1174-Q1176 PolarHBondContact O-N 3.49Å; Q1176-T1178 PolarHBondContact O-N 2.99Å | ||
| 1177 | I | 65.5 | Low | 76.8 | Confident | 89 Ų | 89 | 64.1 Ų | 64.1 | 46% | 0.456 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 117.3 | 175.3 | -74.2 | 172.4 | 0 | 0 | 0 | 108.6 | I1169 | I1169-I1177 HydrophobicContact CB-CG2 4.37Å; I1169-I1177 HydrophobicContact CD1-CG2 3.86Å; I1169-I1177 HydrophobicContact CG1-CG2 4.1Å; I1169-I1177 HydrophobicContact CG2-CB 3.89Å; I1169-I1177 HydrophobicContact CG2-CG1 3.83Å; I1169-I1177 HydrophobicContact CG2-CG2 3.39Å |
| 1178 | T | 70.4 | Confident | 77.3 | Confident | 43 Ų | 43 | 63.9 Ų | 63.9 | 26% | 0.264 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131.8 | 174.1 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | K1170 D1172 Q1176 | K1170-T1178 PolarHBondContact N-O 3.37Å; K1170-T1178 PolarHBondContact O-N 2.9Å; K1170-T1178 PolarHBondContact O-OG1 3.46Å; D1172-T1178 HydrophobicContact CB-CG2 4.41Å; D1172-T1178 WeakPolarHBondContact OD1-CG2 3.46Å; D1172-T1178 PolarHBondContact OD1-OG1 2.74Å; D1172-T1178 WeakPolarHBondContact OD2-CG2 3.16Å; Q1176-T1178 PolarHBondContact O-N 2.99Å |
| 1179 | L | 77.1 | Confident | 77.7 | Confident | 71 Ų | 71 | 65.8 Ų | 65.8 | 37% | 0.372 | 35% | 0.346 | S | S | . | . | trans | -83.3 | 140.9 | 173.8 | -65.5 | 174.8 | 0 | 0 | 0 | 109.7 | L1163 I1169 R1181 P1334 | L1163-L1179 HydrophobicContact CB-CD2 4.4Å; L1163-L1179 VanDerWaalsContact O-CD2 3.23Å; L1163-L1179 WeakPolarHBondContact O-CD2 3.43Å; I1169-L1179 HydrophobicContact CG1-CD2 4.13Å; L1179-R1181 PolarHBondContact O-N 3.48Å; L1179-P1334 HydrophobicContact CD1-CB 4.02Å; L1179-P1334 HydrophobicContact CD1-CG 4.04Å | ||
| 1180 | F | 82.9 | Confident | 78.2 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 13% | 0.127 | 34% | 0.341 | C | S | . | . | trans | -65.6 | 133 | 172.8 | -69.3 | -84.2 | 0 | 0 | 0 | 110.3 | L1168 K1170 D1185 L1186 H1189 L1332 | L1168-F1180 VanDerWaalsContact O-CD2 3.28Å; L1168-F1180 WeakPolarHBondContact O-CD2 3.45Å; L1168-F1180 VanDerWaalsContact O-CE2 3.26Å; L1168-F1180 WeakPolarHBondContact O-CE2 3.48Å; K1170-F1180 HydrophobicContact CB-CE2 4.05Å; K1170-F1180 HydrophobicContact CB-CZ 3.85Å; K1170-F1180 HydrophobicContact CD-CE1 4.43Å; K1170-F1180 HydrophobicContact CD-CZ 4.35Å; F1180-D1185 HydrophobicContact CD1-CB 3.89Å; F1180-D1185 HydrophobicContact CE1-CB 4.44Å; F1180-L1186 HydrophobicContact CB-CB 3.96Å; F1180-L1186 HydrophobicContact CB-CD1 4.47Å; F1180-L1186 HydrophobicContact CD2-CB 4.26Å; F1180-L1186 HydrophobicContact CD2-CD1 3.55Å; F1180-L1186 HydrophobicContact CE2-CD1 4.1Å; F1180-L1186 HydrophobicContact CG-CB 4.06Å; F1180-L1186 HydrophobicContact CG-CD1 4.21Å; F1180-H1189 HydrophobicContact CE1-CB 4.07Å; F1180-H1189 HydrophobicContact CE2-CB 4.2Å; F1180-H1189 AromaticContact CE2-CD2 3.61Å; F1180-H1189 AromaticContact CE2-CG 3.99Å; F1180-H1189 HydrophobicContact CZ-CB 3.55Å; F1180-H1189 AromaticContact CZ-CD2 3.5Å; F1180-H1189 AromaticContact CZ-CG 3.42Å; F1180-H1189 VanDerWaalsContact CZ-CG 3.42Å; F1180-L1332 HydrophobicContact CB-CD1 4.38Å | ||
| 1181 | R | 83.2 | Confident | 78.9 | Confident | 204 Ų | 204 | 60.1 Ų | 60.1 | 77% | 0.77 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -78 | -36 | 176.3 | -66.1 | -174.8 | -178.3 | -174.9 | 0.2 | 112.2 | L1179 E1331 L1332 | L1179-R1181 PolarHBondContact O-N 3.48Å; R1181-E1331 CarbonylContact O-C 3.43Å; R1181-E1331 WeakPolarHBondContact O-CA 3.45Å; R1181-L1332 PolarHBondContact O-N 2.91Å |
| 1182 | N | 89.4 | Confident | 79.8 | Confident | 49 Ų | 49 | 61 Ų | 61 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -115 | 144.8 | -173.9 | -58.4 | -31.3 | 0 | 0 | 0 | 111.2 | G1184 D1185 L1186 F1330 | N1182-G1184 PolarHBondContact O-N 3.43Å; N1182-D1185 PolarHBondContact ND2-OD2 3.41Å; N1182-D1185 PolarHBondContact O-N 3.02Å; N1182-L1186 PolarHBondContact O-N 3.07Å; N1182-F1330 WeakPolarHBondContact CA-O 3.32Å |
| 1183 | Y | 91 | Very high | 80.7 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 176.9 | -177.8 | -94.2 | 0 | 0 | 0 | 113.7 | D1185 L1186 F1187 C1198 G1200 I1201 P1326 F1330 L1332 I1338 | Y1183-D1185 VanDerWaalsContact C-N 3.34Å; Y1183-D1185 PolarHBondContact O-N 2.95Å; Y1183-L1186 WeakPolarHBondContact O-CB 3.34Å; Y1183-L1186 PolarHBondContact O-N 2.7Å; Y1183-F1187 WeakPolarHBondContact O-CB 3.42Å; Y1183-F1187 PolarHBondContact O-N 3.5Å; Y1183-C1198 HydrophobicContact CE2-CB 4.22Å; Y1183-C1198 VanDerWaalsContact OH-C 3.25Å; Y1183-C1198 WeakPolarHBondContact OH-CB 3.39Å; Y1183-C1198 PolarHBondContact OH-O 3.27Å; Y1183-G1200 PolarHBondContact OH-N 2.69Å; Y1183-I1201 HydrophobicContact CD2-CD1 3.8Å; Y1183-I1201 HydrophobicContact CD2-CG1 3.92Å; Y1183-I1201 HydrophobicContact CE2-CD1 4.3Å; Y1183-I1201 HydrophobicContact CE2-CG1 3.93Å; Y1183-I1201 HydrophobicContact CG-CD1 4.49Å; Y1183-P1326 HydrophobicContact CD1-CG 3.6Å; Y1183-P1326 HydrophobicContact CD2-CG 3.72Å; Y1183-P1326 HydrophobicContact CE1-CG 3.65Å; Y1183-P1326 HydrophobicContact CE2-CG 3.77Å; Y1183-P1326 HydrophobicContact CG-CG 3.61Å; Y1183-F1330 PolarHBondContact N-O 2.93Å; Y1183-L1332 HydrophobicContact CD2-CD2 4.2Å; Y1183-I1338 HydrophobicContact CE2-CG2 4.32Å |
| 1184 | G | 88.7 | Confident | 81.8 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 5% | 0.052 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.8 | -38.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1182 F1187 C1188 N1328 | N1182-G1184 PolarHBondContact O-N 3.43Å; G1184-F1187 PolarHBondContact O-N 3.18Å; G1184-C1188 PolarHBondContact O-N 2.85Å; G1184-C1188 VanDerWaalsContact O-N 3.08Å; G1184-C1188 PolarHBondContact O-SG 2.85Å; G1184-N1328 WeakPolarHBondContact CA-OD1 3.25Å; G1184-N1328 PolarHBondContact N-O 3.19Å |
| 1185 | D | 89.7 | Confident | 83.1 | Confident | 86 Ų | 86 | 53.4 Ų | 53.4 | 46% | 0.46 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.8 | -40.8 | 178.2 | -62.6 | -37.2 | 0 | 0 | 0 | 111.2 | F1180 N1182 Y1183 C1188 H1189 | F1180-D1185 HydrophobicContact CD1-CB 3.89Å; F1180-D1185 HydrophobicContact CE1-CB 4.44Å; N1182-D1185 PolarHBondContact ND2-OD2 3.41Å; N1182-D1185 PolarHBondContact O-N 3.02Å; Y1183-D1185 VanDerWaalsContact C-N 3.34Å; Y1183-D1185 PolarHBondContact O-N 2.95Å; D1185-C1188 PolarHBondContact O-N 3.04Å; D1185-H1189 WeakPolarHBondContact O-CB 3.5Å; D1185-H1189 PolarHBondContact O-N 3.05Å; D1185-H1189 VanDerWaalsContact O-N 3.08Å |
| 1186 | L | 91.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.7 | -48.2 | 172.9 | 175.5 | 68.9 | 0 | 0 | 0 | 111.2 | L1163 L1168 F1180 N1182 Y1183 C1188 H1189 A1190 L1332 I1338 | L1163-L1186 HydrophobicContact CD2-CD1 4.4Å; L1163-L1186 HydrophobicContact CD2-CD2 3.59Å; L1168-L1186 HydrophobicContact CB-CD1 3.96Å; L1168-L1186 HydrophobicContact CD2-CD1 4.06Å; L1168-L1186 HydrophobicContact CG-CD1 4.4Å; F1180-L1186 HydrophobicContact CB-CB 3.96Å; F1180-L1186 HydrophobicContact CB-CD1 4.47Å; F1180-L1186 HydrophobicContact CD2-CB 4.26Å; F1180-L1186 HydrophobicContact CD2-CD1 3.55Å; F1180-L1186 HydrophobicContact CE2-CD1 4.1Å; F1180-L1186 HydrophobicContact CG-CB 4.06Å; F1180-L1186 HydrophobicContact CG-CD1 4.21Å; N1182-L1186 PolarHBondContact O-N 3.07Å; Y1183-L1186 WeakPolarHBondContact O-CB 3.34Å; Y1183-L1186 PolarHBondContact O-N 2.7Å; L1186-C1188 PolarHBondContact O-N 3.31Å; L1186-H1189 PolarHBondContact O-N 3.12Å; L1186-A1190 WeakPolarHBondContact O-CB 3.49Å; L1186-A1190 PolarHBondContact O-N 2.91Å; L1186-L1332 HydrophobicContact CB-CD1 4.07Å; L1186-L1332 HydrophobicContact CD2-CD1 3.7Å; L1186-I1338 HydrophobicContact CD2-CD1 4.09Å; L1186-I1338 HydrophobicContact CD2-CG1 3.98Å |
| 1187 | F | 92 | Very high | 86 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.5 | -51.4 | 179.1 | 174.8 | -84.9 | 0 | 0 | 0 | 111.2 | R618 L624 Y1183 G1184 H1189 A1190 I1191 L1197 C1198 | R618-F1187 HydrophobicContact CB-CD1 3.9Å; R618-F1187 HydrophobicContact CB-CE1 3.61Å; R618-F1187 HydrophobicContact CB-CZ 4.42Å; R618-F1187 HydrophobicContact CG-CD1 3.53Å; R618-F1187 HydrophobicContact CG-CE1 3.75Å; R618-F1187 HydrophobicContact CG-CG 4.18Å; L624-F1187 HydrophobicContact CD1-CD2 4.26Å; L624-F1187 HydrophobicContact CD1-CE2 3.33Å; L624-F1187 HydrophobicContact CD1-CZ 3.77Å; Y1183-F1187 WeakPolarHBondContact O-CB 3.42Å; Y1183-F1187 PolarHBondContact O-N 3.5Å; G1184-F1187 PolarHBondContact O-N 3.18Å; F1187-H1189 VanDerWaalsContact C-N 3.28Å; F1187-H1189 PolarHBondContact O-N 3.44Å; F1187-A1190 PolarHBondContact O-N 3.39Å; F1187-I1191 HydrophobicContact CD1-CG2 4.48Å; F1187-I1191 HydrophobicContact CE1-CD1 4.43Å; F1187-I1191 HydrophobicContact CE1-CG2 4.23Å; F1187-I1191 HydrophobicContact CZ-CD1 4.12Å; F1187-I1191 VanDerWaalsContact O-CG2 3.32Å; F1187-I1191 WeakPolarHBondContact O-CG2 3.5Å; F1187-I1191 PolarHBondContact O-N 3.42Å; F1187-L1197 HydrophobicContact CE2-CD1 3.55Å; F1187-L1197 HydrophobicContact CE2-CG 4.38Å; F1187-L1197 HydrophobicContact CZ-CD1 3.64Å; F1187-C1198 HydrophobicContact CD2-CB 4.02Å |
| 1188 | C | 90.3 | Very high | 87.3 | Confident | 28 Ų | 28 | 42.7 Ų | 42.7 | 19% | 0.189 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.1 | -37.8 | -178.4 | -65.5 | 0 | 0 | 0 | 0 | 111.5 | G1184 D1185 L1186 Q1192 | G1184-C1188 PolarHBondContact O-N 2.85Å; G1184-C1188 VanDerWaalsContact O-N 3.08Å; G1184-C1188 PolarHBondContact O-SG 2.85Å; D1185-C1188 PolarHBondContact O-N 3.04Å; L1186-C1188 PolarHBondContact O-N 3.31Å; C1188-Q1192 WeakPolarHBondContact O-CB 3.37Å; C1188-Q1192 PolarHBondContact O-N 3.33Å |
| 1189 | H | 89.7 | Confident | 88.4 | Confident | 42 Ų | 42 | 41.3 Ų | 41.3 | 19% | 0.194 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.1 | -48.3 | 176.5 | -177.2 | 71.3 | 0 | 0 | 0 | 112.5 | F1180 D1185 L1186 F1187 I1191 Q1192 Q1193 | F1180-H1189 HydrophobicContact CE1-CB 4.07Å; F1180-H1189 HydrophobicContact CE2-CB 4.2Å; F1180-H1189 AromaticContact CE2-CD2 3.61Å; F1180-H1189 AromaticContact CE2-CG 3.99Å; F1180-H1189 HydrophobicContact CZ-CB 3.55Å; F1180-H1189 AromaticContact CZ-CD2 3.5Å; F1180-H1189 AromaticContact CZ-CG 3.42Å; F1180-H1189 VanDerWaalsContact CZ-CG 3.42Å; D1185-H1189 WeakPolarHBondContact O-CB 3.5Å; D1185-H1189 PolarHBondContact O-N 3.05Å; D1185-H1189 VanDerWaalsContact O-N 3.08Å; L1186-H1189 PolarHBondContact O-N 3.12Å; F1187-H1189 VanDerWaalsContact C-N 3.28Å; F1187-H1189 PolarHBondContact O-N 3.44Å; H1189-I1191 PolarHBondContact O-N 3.45Å; H1189-Q1192 PolarHBondContact O-N 3.29Å; H1189-Q1193 WeakPolarHBondContact O-CB 3.28Å; H1189-Q1193 WeakPolarHBondContact O-CG 3.42Å; H1189-Q1193 PolarHBondContact O-N 3.38Å |
| 1190 | A | 90 | Very high | 89.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.1 | -42.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1168 L1186 F1187 Y1194 G1195 I1196 | L1168-A1190 HydrophobicContact CD2-CB 3.95Å; L1186-A1190 WeakPolarHBondContact O-CB 3.49Å; L1186-A1190 PolarHBondContact O-N 2.91Å; F1187-A1190 PolarHBondContact O-N 3.39Å; A1190-Y1194 PolarHBondContact O-N 2.98Å; A1190-Y1194 VanDerWaalsContact O-N 3.09Å; A1190-G1195 PolarHBondContact O-N 2.91Å; A1190-I1196 CarbonylContact C-O 3.45Å; A1190-I1196 HydrophobicContact CB-CB 4.23Å; A1190-I1196 HydrophobicContact CB-CG2 4.49Å; A1190-I1196 PolarHBondContact O-N 2.84Å; A1190-I1196 VanDerWaalsContact O-N 3.16Å |
| 1191 | I | 88.6 | Confident | 89.6 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72.5 | -38.2 | 179.8 | -162.3 | 171.5 | 0 | 0 | 0 | 112.1 | T611 A614 I615 F1187 H1189 G1195 I1196 L1197 | T611-I1191 HydrophobicContact CG2-CG1 4.28Å; A614-I1191 HydrophobicContact CB-CD1 3.46Å; A614-I1191 VanDerWaalsContact CB-CD1 3.46Å; I615-I1191 HydrophobicContact CD1-CG2 4.09Å; I615-I1191 HydrophobicContact CG1-CG2 3.69Å; F1187-I1191 HydrophobicContact CD1-CG2 4.48Å; F1187-I1191 HydrophobicContact CE1-CD1 4.43Å; F1187-I1191 HydrophobicContact CE1-CG2 4.23Å; F1187-I1191 HydrophobicContact CZ-CD1 4.12Å; F1187-I1191 VanDerWaalsContact O-CG2 3.32Å; F1187-I1191 WeakPolarHBondContact O-CG2 3.5Å; F1187-I1191 PolarHBondContact O-N 3.42Å; H1189-I1191 PolarHBondContact O-N 3.45Å; I1191-G1195 VanDerWaalsContact O-CA 3.26Å; I1191-G1195 WeakPolarHBondContact O-CA 3.46Å; I1191-G1195 PolarHBondContact O-N 3.36Å; I1191-G1195 VanDerWaalsContact O-N 3.1Å; I1191-I1196 WeakPolarHBondContact CA-O 3.47Å; I1191-I1196 PolarHBondContact N-O 3.35Å; I1191-L1197 HydrophobicContact CD1-CD1 3.81Å |
| 1192 | Q | 87 | Confident | 90 | Very high | 118 Ų | 118 | 28.2 Ų | 28.2 | 55% | 0.551 | 14% | 0.137 | S | C | * | . | H | α-helix | trans | -73.7 | -39.4 | -176.8 | -171.4 | 177.6 | 3.4 | 0 | 0 | 112.4 | I615 C1188 H1189 | I615-Q1192 HydrophobicContact CD1-CB 4.07Å; I615-Q1192 HydrophobicContact CD1-CG 4.38Å; C1188-Q1192 WeakPolarHBondContact O-CB 3.37Å; C1188-Q1192 PolarHBondContact O-N 3.33Å; H1189-Q1192 PolarHBondContact O-N 3.29Å |
| 1193 | Q | 85 | Confident | 89.9 | Confident | 114 Ų | 114 | 26.3 Ų | 26.3 | 53% | 0.533 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -88.5 | -39.4 | -175.4 | -65.5 | -62.4 | -34.9 | 0 | 0 | 113.1 | H1189 | H1189-Q1193 WeakPolarHBondContact O-CB 3.28Å; H1189-Q1193 WeakPolarHBondContact O-CG 3.42Å; H1189-Q1193 PolarHBondContact O-N 3.38Å |
| 1194 | Y | 85.6 | Confident | 89.3 | Confident | 99 Ų | 99 | 27.4 Ų | 27.4 | 39% | 0.388 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -121 | -2.5 | -170.1 | -59.6 | -73.1 | 0 | 0 | 0 | 113.4 | R1167 A1190 I1196 P1343 | R1167-Y1194 HydrophobicContact CB-CE2 4.47Å; R1167-Y1194 VanDerWaalsContact O-CD2 3.24Å; R1167-Y1194 WeakPolarHBondContact O-CD2 3.16Å; R1167-Y1194 WeakPolarHBondContact O-CE2 3.41Å; A1190-Y1194 PolarHBondContact O-N 2.98Å; A1190-Y1194 VanDerWaalsContact O-N 3.09Å; Y1194-I1196 HydrophobicContact CG-CD1 4.24Å; Y1194-I1196 PolarHBondContact O-N 3.05Å; Y1194-P1343 WeakPolarHBondContact O-CG 3.44Å |
| 1195 | G | 86 | Confident | 88.3 | Confident | 5 Ų | 5 | 28.5 Ų | 28.5 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | trans | 64.9 | 19.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L690 A1190 I1191 | L690-G1195 VanDerWaalsContact CD1-CA 3.47Å; A1190-G1195 PolarHBondContact O-N 2.91Å; I1191-G1195 VanDerWaalsContact O-CA 3.26Å; I1191-G1195 WeakPolarHBondContact O-CA 3.46Å; I1191-G1195 PolarHBondContact O-N 3.36Å; I1191-G1195 VanDerWaalsContact O-N 3.1Å | ||
| 1196 | I | 90.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | trans | -86.9 | 120 | -178.1 | -63.8 | 172.2 | 0 | 0 | 0 | 109 | I1161 R1167 A1190 I1191 Y1194 C1340 | I1161-I1196 HydrophobicContact CD1-CD1 4.22Å; R1167-I1196 HydrophobicContact CB-CD1 4.36Å; A1190-I1196 CarbonylContact C-O 3.45Å; A1190-I1196 HydrophobicContact CB-CB 4.23Å; A1190-I1196 HydrophobicContact CB-CG2 4.49Å; A1190-I1196 PolarHBondContact O-N 2.84Å; A1190-I1196 VanDerWaalsContact O-N 3.16Å; I1191-I1196 WeakPolarHBondContact CA-O 3.47Å; I1191-I1196 PolarHBondContact N-O 3.35Å; Y1194-I1196 HydrophobicContact CG-CD1 4.24Å; Y1194-I1196 PolarHBondContact O-N 3.05Å; I1196-C1340 HydrophobicContact CG2-CB 3.57Å | ||
| 1197 | L | 91.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 110.1 | 176.4 | -175.1 | 77.1 | 0 | 0 | 0 | 110.4 | L624 L625 I626 F1187 I1191 L1199 C1340 L1341 | L624-L1197 HydrophobicContact CD1-CD1 3.99Å; L624-L1197 HydrophobicContact CD1-CG 4.43Å; L625-L1197 WeakPolarHBondContact O-CD1 3.42Å; I626-L1197 HydrophobicContact CB-CD2 4.29Å; I626-L1197 HydrophobicContact CG1-CD2 4.41Å; I626-L1197 HydrophobicContact CG2-CD2 4.1Å; F1187-L1197 HydrophobicContact CE2-CD1 3.55Å; F1187-L1197 HydrophobicContact CE2-CG 4.38Å; F1187-L1197 HydrophobicContact CZ-CD1 3.64Å; I1191-L1197 HydrophobicContact CD1-CD1 3.81Å; L1197-L1199 HydrophobicContact CD2-CD2 3.99Å; L1197-L1199 HydrophobicContact CG-CD2 4.42Å; L1197-C1340 CarbonylContact O-C 3.58Å; L1197-C1340 VanDerWaalsContact O-CA 3.25Å; L1197-C1340 WeakPolarHBondContact O-CA 3.3Å; L1197-L1341 HydrophobicContact CB-CB 4.28Å; L1197-L1341 HydrophobicContact CD2-CD1 4.17Å; L1197-L1341 PolarHBondContact N-O 3.17Å; L1197-L1341 PolarHBondContact O-N 3.09Å |
| 1198 | C | 93.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 128.5 | 175.1 | -51 | 0 | 0 | 0 | 0 | 110.7 | Y1183 F1187 I1338 | Y1183-C1198 HydrophobicContact CE2-CB 4.22Å; Y1183-C1198 VanDerWaalsContact OH-C 3.25Å; Y1183-C1198 WeakPolarHBondContact OH-CB 3.39Å; Y1183-C1198 PolarHBondContact OH-O 3.27Å; F1187-C1198 HydrophobicContact CD2-CB 4.02Å; C1198-I1338 HydrophobicContact CB-CG2 3.77Å |
| 1199 | L | 92.6 | Very high | 79 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -33.3 | -177.7 | -62.3 | 178.9 | 0 | 0 | 0 | 113.6 | L439 L624 I626 L1197 N1325 F1339 L1341 | L439-L1199 HydrophobicContact CD2-CB 4.31Å; L439-L1199 HydrophobicContact CD2-CD1 4.37Å; L624-L1199 HydrophobicContact CD2-CD2 4.34Å; I626-L1199 HydrophobicContact CG1-CD2 4.33Å; L1197-L1199 HydrophobicContact CD2-CD2 3.99Å; L1197-L1199 HydrophobicContact CG-CD2 4.42Å; L1199-N1325 PolarHBondContact O-N 3.32Å; L1199-F1339 HydrophobicContact CB-CB 4.31Å; L1199-F1339 PolarHBondContact N-O 3.45Å; L1199-L1341 HydrophobicContact CD1-CD2 4.39Å; L1199-L1341 HydrophobicContact CD1-CG 4Å; L1199-L1341 HydrophobicContact CG-CG 4.42Å |
| 1200 | G | 93 | Very high | 76.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.4 | -174.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y1183 I1323 I1338 F1339 | Y1183-G1200 PolarHBondContact OH-N 2.69Å; G1200-I1323 CarbonylContact C-O 3.59Å; G1200-I1323 WeakPolarHBondContact CA-O 3.47Å; G1200-I1338 WeakPolarHBondContact O-CA 3.31Å; G1200-I1338 WeakPolarHBondContact O-CG2 3.43Å; G1200-F1339 PolarHBondContact O-N 2.92Å |
| 1201 | I | 93 | Very high | 73.2 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 142 | -176.3 | -57.9 | 168.1 | 0 | 0 | 0 | 110.1 | Y1183 R1203 V1322 I1323 P1326 F1330 L1332 D1336 V1337 I1338 | Y1183-I1201 HydrophobicContact CD2-CD1 3.8Å; Y1183-I1201 HydrophobicContact CD2-CG1 3.92Å; Y1183-I1201 HydrophobicContact CE2-CD1 4.3Å; Y1183-I1201 HydrophobicContact CE2-CG1 3.93Å; Y1183-I1201 HydrophobicContact CG-CD1 4.49Å; I1201-R1203 HydrophobicContact CG2-CB 4.03Å; I1201-V1322 CarbonylContact O-C 3.54Å; I1201-I1323 HydrophobicContact CB-CB 4.39Å; I1201-I1323 PolarHBondContact N-O 3.15Å; I1201-I1323 PolarHBondContact O-N 3.46Å; I1201-P1326 HydrophobicContact CD1-CB 4.16Å; I1201-P1326 HydrophobicContact CD1-CG 3.69Å; I1201-P1326 HydrophobicContact CG1-CG 4.03Å; I1201-F1330 HydrophobicContact CD1-CD1 3.51Å; I1201-F1330 HydrophobicContact CD1-CE1 3.47Å; I1201-F1330 VanDerWaalsContact CD1-CE1 3.47Å; I1201-L1332 HydrophobicContact CD1-CD2 3.62Å; I1201-L1332 HydrophobicContact CG1-CD2 4.37Å; I1201-D1336 HydrophobicContact CG2-CB 3.8Å; I1201-V1337 CarbonylContact C-O 3.49Å; I1201-V1337 WeakPolarHBondContact CA-O 3.47Å; I1201-I1338 HydrophobicContact CG1-CD1 3.84Å |
| 1202 | Y | 91.5 | Very high | 70.6 | Confident | 28 Ų | 28 | 62.2 Ų | 62.2 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 90.2 | 170 | -166.3 | -139.9 | 0 | 0 | 0 | 110.3 | P434 K1070 R1320 Y1321 V1322 V1337 F1339 | P434-Y1202 HydrophobicContact CB-CE1 4.31Å; K1070-Y1202 PolarHBondContact O-OH 3.36Å; K1070-Y1202 VanDerWaalsContact O-OH 3.05Å; Y1202-R1320 HydrophobicContact CD1-CB 3.94Å; Y1202-R1320 HydrophobicContact CD1-CG 4.31Å; Y1202-R1320 HydrophobicContact CD2-CB 3.78Å; Y1202-R1320 HydrophobicContact CE1-CB 3.62Å; Y1202-R1320 VanDerWaalsContact CE1-CD 3.44Å; Y1202-R1320 HydrophobicContact CE1-CG 4.16Å; Y1202-R1320 HydrophobicContact CE2-CB 3.42Å; Y1202-R1320 VanDerWaalsContact CE2-CB 3.42Å; Y1202-R1320 HydrophobicContact CG-CB 4.01Å; Y1202-R1320 PolarHBondContact O-NH1 3.48Å; Y1202-Y1321 CarbonylContact C-O 3.42Å; Y1202-Y1321 WeakPolarHBondContact CA-O 3.47Å; Y1202-Y1321 WeakPolarHBondContact CD2-O 3.43Å; Y1202-V1322 HydrophobicContact CD2-CG2 3.95Å; Y1202-V1322 HydrophobicContact CE2-CG2 4.17Å; Y1202-V1337 PolarHBondContact N-O 2.65Å; Y1202-V1337 PolarHBondContact O-N 3.05Å; Y1202-F1339 HydrophobicContact CD2-CE2 4.36Å; Y1202-F1339 HydrophobicContact CD2-CZ 4.39Å; Y1202-F1339 HydrophobicContact CG-CE2 4.18Å; Y1202-F1339 HydrophobicContact CG-CZ 4.22Å |
| 1203 | R | 87.7 | Confident | 67.9 | Low | 10 Ų | 10 | 61.1 Ų | 61.1 | 4% | 0.038 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 144.3 | -165.3 | 172.4 | 166.9 | -71.4 | 179.9 | -1.6 | 112.6 | I1201 R1320 Y1321 I1323 E1331 D1336 | I1201-R1203 HydrophobicContact CG2-CB 4.03Å; R1203-R1320 CarbonylContact O-C 3.59Å; R1203-R1320 WeakPolarHBondContact O-CA 3.28Å; R1203-Y1321 HydrophobicContact CB-CE1 4.01Å; R1203-Y1321 VanDerWaalsContact CD-OH 3.23Å; R1203-Y1321 WeakPolarHBondContact CD-OH 3.44Å; R1203-Y1321 HydrophobicContact CG-CE1 3.82Å; R1203-Y1321 PolarHBondContact N-O 3.08Å; R1203-Y1321 WeakPolarHBondContact O-CD1 3.37Å; R1203-Y1321 WeakPolarHBondContact O-CE1 3.36Å; R1203-Y1321 PolarHBondContact O-N 3.5Å; R1203-I1323 HydrophobicContact CB-CD1 4.12Å; R1203-E1331 PolarHBondContact NH2-O 3.5Å; R1203-D1336 WeakPolarHBondContact CB-OD1 3.34Å; R1203-D1336 VanDerWaalsContact CG-OD1 3.31Å; R1203-D1336 WeakPolarHBondContact CG-OD1 3.37Å; R1203-D1336 IonicContact CZ-OD1 3.52Å; R1203-D1336 IonicContact CZ-OD2 3.2Å; R1203-D1336 IonicContact NE-OD1 3.39Å; R1203-D1336 PolarHBondContact NE-OD1 2.96Å; R1203-D1336 IonicContact NE-OD2 3.32Å; R1203-D1336 PolarHBondContact NE-OD2 3.47Å; R1203-D1336 IonicContact NH2-OD1 3.53Å; R1203-D1336 IonicContact NH2-OD2 3.87Å; R1203-D1336 PolarHBondContact NH2-OD2 2.9Å |
| 1204 | L | 78.9 | Confident | 65.2 | Low | 23 Ų | 23 | 66.5 Ų | 66.5 | 12% | 0.12 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 139.3 | 171.9 | -72.5 | 164.9 | 0 | 0 | 0 | 112.1 | N1319 R1320 T1335 | L1204-N1319 CarbonylContact C-O 3.56Å; L1204-R1320 HydrophobicContact CD2-CG 3.52Å; L1204-R1320 HydrophobicContact CG-CG 3.9Å; L1204-T1335 HydrophobicContact CD1-CG2 4.13Å |
| 1205 | S | 66.2 | Low | 62.5 | Low | 29 Ų | 29 | 66.9 Ų | 66.9 | 20% | 0.203 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -77.8 | -27 | -176.9 | 53.5 | 0 | 0 | 0 | 0 | 114.9 | N1319 | S1205-N1319 WeakPolarHBondContact CB-O 3.26Å; S1205-N1319 PolarHBondContact N-O 3.33Å; S1205-N1319 WeakPolarHBondContact OG-CB 3.09Å; S1205-N1319 PolarHBondContact OG-O 3.02Å |
| 1206 | F | 55.1 | Low | 59.9 | Low | 161 Ų | 161 | 69.4 Ų | 69.4 | 71% | 0.706 | 35% | 0.349 | S | S | * | . | trans | -112.7 | 101.1 | 179.6 | -71.5 | -81 | 0 | 0 | 0 | 111.3 | ||||
| 1207 | N | 47.7 | Very low | 56.9 | Low | 73 Ų | 73 | 75 Ų | 75 | 39% | 0.39 | 38% | 0.384 | S | S | . | . | trans | -108.4 | 90.2 | 163.2 | -86.9 | -8.9 | 0 | 0 | 0 | 108.4 | F1209 | N1207-F1209 PolarHBondContact O-N 3.29Š| ||
| 1208 | K | 35.5 | Very low | 53.9 | Low | 169 Ų | 169 | 78 Ų | 78 | 74% | 0.735 | 40% | 0.402 | S | S | * | . | trans | -69.3 | 124.4 | 166.5 | -90.9 | -176 | 177.7 | 177.5 | 0 | 108.7 | N1210 | K1208-N1210 PolarHBondContact O-N 3.47Š| ||
| 1209 | F | 30.4 | Very low | 50.7 | Low | 166 Ų | 166 | 82.8 Ų | 82.8 | 73% | 0.728 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -62.3 | 13.3 | 171.9 | -105.6 | -88.2 | 0 | 0 | 0 | 115.5 | N1207 | N1207-F1209 PolarHBondContact O-N 3.29Š|
| 1210 | N | 27.8 | Very low | 47.6 | Very low | 151 Ų | 151 | 83.2 Ų | 83.2 | 81% | 0.807 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -121.8 | 93.2 | -178 | -73.2 | -11.3 | 0 | 0 | 0 | 111.1 | K1208 | K1208-N1210 PolarHBondContact O-N 3.47Š|
| 1211 | G | 30.1 | Very low | 44.5 | Very low | 45 Ų | 45 | 87.8 Ų | 87.8 | 46% | 0.464 | 47% | 0.469 | S | S | . | . | S | Bend | trans | 127.8 | -41.9 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 1212 | L | 33.4 | Very low | 41.5 | Very low | 100 Ų | 100 | 94.2 Ų | 94.2 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -84.1 | -26.3 | -169.7 | -92.7 | 140.5 | 0 | 0 | 0 | 114.7 | R1214 L1215 | L1212-R1214 PolarHBondContact O-N 2.98Å; L1212-L1215 PolarHBondContact O-N 2.79Å |
| 1213 | S | 30.4 | Very low | 38.4 | Very low | 94 Ų | 94 | 102.5 Ų | 102.5 | 66% | 0.657 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -68.6 | -13.6 | 177.2 | 38.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1214 | R | 27.9 | Very low | 35.5 | Very low | 227 Ų | 227 | 107.3 Ų | 107.3 | 86% | 0.857 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -92.2 | -11.1 | 174.2 | -96.5 | -178.4 | 171.3 | 174.4 | -2.2 | 114.8 | L1212 | L1212-R1214 PolarHBondContact O-N 2.98Š|
| 1215 | L | 29.4 | Very low | 33 | Very low | 107 Ų | 107 | 115.2 Ų | 115.2 | 56% | 0.56 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -95.2 | -6.6 | -177.3 | -86.5 | 150.5 | 0 | 0 | 0 | 113.7 | L1212 | L1212-L1215 PolarHBondContact O-N 2.79Š|
| 1216 | V | 32.6 | Very low | 31.2 | Very low | 58 Ų | 58 | 120.7 Ų | 120.7 | 35% | 0.352 | 63% | 0.631 | S | S | . | * | trans | -111.3 | 12.1 | -173.4 | -170.4 | 0 | 0 | 0 | 0 | 113.2 | V1218 | V1216-V1218 VanDerWaalsContact C-N 3.3Å; V1216-V1218 PolarHBondContact O-N 3.28Å; V1216-V1218 VanDerWaalsContact O-N 3.1Å | ||
| 1217 | T | 25.7 | Very low | 29.8 | Very low | 120 Ų | 120 | 120 Ų | 120 | 74% | 0.736 | 64% | 0.635 | S | S | * | * | trans | -79.2 | 81.4 | 158.5 | 34.1 | 0 | 0 | 0 | 0 | 109.3 | P1219 | T1217-P1219 WeakPolarHBondContact O-CD 3.03Š| ||
| 1218 | V | 30.4 | Very low | 29 | Very low | 63 Ų | 63 | 121.6 Ų | 121.6 | 38% | 0.382 | 65% | 0.651 | S | S | . | * | trans | -92.8 | 114.7 | 167.3 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | V1216 C1220 | V1216-V1218 VanDerWaalsContact C-N 3.3Å; V1216-V1218 PolarHBondContact O-N 3.28Å; V1216-V1218 VanDerWaalsContact O-N 3.1Å; V1218-C1220 PolarHBondContact O-N 2.76Å | ||
| 1219 | P | 24.8 | Very low | 28.6 | Very low | 99 Ų | 99 | 119 Ų | 119 | 64% | 0.643 | 65% | 0.65 | S | S | * | * | trans | -79.9 | 100.3 | 170.6 | 30.6 | -27.6 | 0 | 0 | 0 | 108.7 | T1217 S1221 | T1217-P1219 WeakPolarHBondContact O-CD 3.03Å; P1219-S1221 PolarHBondContact O-N 3.44Å | ||
| 1220 | C | 28.1 | Very low | 28.4 | Very low | 25 Ų | 25 | 118 Ų | 118 | 17% | 0.169 | 65% | 0.652 | C | S | . | * | trans | -87.8 | 101.7 | 173.4 | -82.4 | 0 | 0 | 0 | 0 | 110.6 | V1218 | V1218-C1220 PolarHBondContact O-N 2.76Š| ||
| 1221 | S | 27.4 | Very low | 28.6 | Very low | 96 Ų | 96 | 119.2 Ų | 119.2 | 67% | 0.671 | 65% | 0.653 | S | S | * | * | trans | -106.9 | 113.1 | 161.8 | 64.7 | 0 | 0 | 0 | 0 | 109.4 | P1219 | P1219-S1221 PolarHBondContact O-N 3.44Š| ||
| 1222 | I | 30.5 | Very low | 28.4 | Very low | 134 Ų | 134 | 121.7 Ų | 121.7 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | trans | -110.6 | 115.5 | 175.7 | -61 | 170.5 | 0 | 0 | 0 | 108.4 | ||||
| 1223 | K | 26.8 | Very low | 28.2 | Very low | 203 Ų | 203 | 125 Ų | 125 | 88% | 0.883 | 68% | 0.679 | S | S | * | * | trans | -103.5 | 136.2 | 162.2 | -77.1 | -174.3 | 178.6 | 179.3 | 0 | 108.8 | ||||
| 1224 | P | 27.2 | Very low | 28.1 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | trans | -94.2 | 143.9 | -177.9 | 35.6 | -30.3 | 0 | 0 | 0 | 111.6 | ||||
| 1225 | K | 25.8 | Very low | 28 | Very low | 189 Ų | 189 | 123.8 Ų | 123.8 | 82% | 0.822 | 68% | 0.677 | S | S | * | * | 165.3 | 137.2 | 123.8 | -91.8 | 176.7 | 178.8 | -178.6 | 0 | 115.3 | |||||
| 1226 | L | 28 | Very low | 28 | Very low | 143 Ų | 143 | 126.6 Ų | 126.6 | 75% | 0.749 | 69% | 0.69 | S | S | * | * | trans | 70.5 | 112.6 | 140.9 | -98.6 | 78.2 | 0 | 0 | 0 | 122.7 | ||||
| 1227 | N | 24.9 | Very low | 27.8 | Very low | 148 Ų | 148 | 131.4 Ų | 131.4 | 79% | 0.791 | 71% | 0.709 | S | S | * | * | 32.3 | 118.7 | 126 | -61.4 | -0.3 | 0 | 0 | 0 | 120.1 | |||||
| 1228 | S | 31.9 | Very low | 27.8 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | 171.9 | 123.2 | 105.8 | 58.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1229 | T | 26.8 | Very low | 27.6 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | trans | 42.9 | 120.7 | 137.9 | 56.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1230 | D | 26.9 | Very low | 27.8 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | 93.1 | 136.6 | 122.2 | -69.6 | -20.5 | 0 | 0 | 0 | 123.1 | |||||
| 1231 | E | 30.8 | Very low | 27.7 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 89.3 | 96.6 | 153.4 | -72.8 | 175.9 | -171.6 | 0 | 0 | 121.3 | ||||
| 1232 | S | 27.2 | Very low | 27.8 | Very low | 97 Ų | 97 | 144.1 Ų | 144.1 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | 14.2 | 139.2 | 129.7 | 52.6 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1233 | I | 29.7 | Very low | 27.5 | Very low | 170 Ų | 170 | 145.2 Ų | 145.2 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | -173.1 | 144 | 116 | -90.6 | 150.7 | 0 | 0 | 0 | 110.7 | |||||
| 1234 | Q | 26.9 | Very low | 27.5 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -83.8 | 168.3 | -177.4 | -66.9 | 173.9 | -17.9 | 0 | 0 | 113.7 | ||||
| 1235 | L | 26.5 | Very low | 27.4 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 71% | 0.707 | 78% | 0.784 | S | S | * | * | trans | 79 | 121 | 148.4 | -82 | 141.3 | 0 | 0 | 0 | 117.9 | ||||
| 1236 | I | 30 | Very low | 27.5 | Very low | 165 Ų | 165 | 144 Ų | 144 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | -174.6 | 127.3 | 105 | -86.2 | 152.3 | 0 | 0 | 0 | 109.5 | |||||
| 1237 | E | 26.7 | Very low | 27.6 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -71.2 | 150 | 168.4 | -63.1 | 173.8 | 136.1 | 0 | 0 | 111.4 | ||||
| 1238 | T | 26.2 | Very low | 27.9 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | 152.6 | 129.2 | 110.6 | 45.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1239 | K | 25.8 | Very low | 27.8 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 77% | 0.774 | 80% | 0.802 | S | S | * | * | trans | 59.1 | 117.4 | 137.9 | -65.9 | 177.4 | 178.6 | 176.1 | 0 | 120.6 | ||||
| 1240 | S | 29.3 | Very low | 27.9 | Very low | 126 Ų | 126 | 154 Ų | 154 | 88% | 0.881 | 81% | 0.81 | S | S | * | * | -140.9 | 119.3 | 126.2 | 54.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1241 | H | 27.2 | Very low | 27.9 | Very low | 171 Ų | 171 | 157.2 Ų | 157.2 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -80 | 149.1 | 169.5 | -89.6 | -98.1 | 0 | 0 | 0 | 109.6 | ||||
| 1242 | A | 28 | Very low | 27.8 | Very low | 82 Ų | 82 | 153.9 Ų | 153.9 | 68% | 0.678 | 82% | 0.82 | S | S | * | * | 151.6 | 142.6 | 106.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1243 | N | 26.1 | Very low | 27.9 | Very low | 157 Ų | 157 | 159.1 Ų | 159.1 | 84% | 0.84 | 83% | 0.83 | S | S | * | * | trans | 83.3 | 88.5 | 154.6 | -65 | -9.7 | 0 | 0 | 0 | 120.3 | ||||
| 1244 | C | 25.2 | Very low | 27.7 | Very low | 140 Ų | 140 | 158.2 Ų | 158.2 | 95% | 0.946 | 83% | 0.826 | S | S | * | * | -162.3 | 87 | 120.7 | -121.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1245 | Q | 26 | Very low | 27.9 | Very low | 184 Ų | 184 | 157.3 Ų | 157.3 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -96 | 120 | 163.4 | -80.9 | -178.9 | -13.5 | 0 | 0 | 108.1 | ||||
| 1246 | N | 27.7 | Very low | 27.9 | Very low | 152 Ų | 152 | 162.7 Ų | 162.7 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | trans | 169.7 | 101.3 | 143.3 | -88.5 | -20.7 | 0 | 0 | 0 | 108.6 | ||||
| 1247 | N | 30 | Very low | 27.7 | Very low | 155 Ų | 155 | 165.9 Ų | 165.9 | 83% | 0.829 | 83% | 0.834 | S | S | * | * | S | Bend | trans | 175.2 | -5.4 | 142.9 | -85.8 | -16.4 | 0 | 0 | 0 | 115.1 | K1249 | N1247-K1249 PolarHBondContact O-N 2.69Å; N1247-K1249 VanDerWaalsContact O-N 3.12Å |
| 1248 | D | 30.7 | Very low | 27.8 | Very low | 172 Ų | 172 | 165.3 Ų | 165.3 | 92% | 0.92 | 84% | 0.835 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 48 | -174.4 | -68.5 | -28.8 | 0 | 0 | 0 | 115.9 | ||
| 1249 | K | 30 | Very low | 27.8 | Very low | 208 Ų | 208 | 164.3 Ų | 164.3 | 90% | 0.904 | 83% | 0.833 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | 9.9 | 174.9 | -83.1 | -173.4 | 178.9 | 176.6 | 0 | 116.3 | N1247 | N1247-K1249 PolarHBondContact O-N 2.69Å; N1247-K1249 VanDerWaalsContact O-N 3.12Å |
| 1250 | Q | 29 | Very low | 27.8 | Very low | 188 Ų | 188 | 161.7 Ų | 161.7 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -113 | -1.4 | -179.6 | -86.5 | -172.6 | -4.8 | 0 | 0 | 117.4 | ||
| 1251 | F | 27.7 | Very low | 27.8 | Very low | 213 Ų | 213 | 161.7 Ų | 161.7 | 93% | 0.934 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -105.2 | 2.8 | -175.9 | -107.5 | -88.7 | 0 | 0 | 0 | 116.6 | ||
| 1252 | A | 27.7 | Very low | 28 | Very low | 105 Ų | 105 | 157.6 Ų | 157.6 | 87% | 0.868 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -101.9 | 18.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1253 | K | 29.2 | Very low | 28.4 | Very low | 206 Ų | 206 | 160.1 Ų | 160.1 | 90% | 0.896 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -132.4 | 14.7 | -172.4 | -127.7 | 177.6 | -174.9 | 179.8 | 0 | 117.2 | ||
| 1254 | L | 26.5 | Very low | 28.9 | Very low | 152 Ų | 152 | 156.7 Ų | 156.7 | 80% | 0.796 | 82% | 0.823 | S | S | * | * | trans | -121.3 | 131.1 | 176.6 | -125.9 | 84.5 | 0 | 0 | 0 | 111.8 | ||||
| 1255 | H | 29.4 | Very low | 29.7 | Very low | 142 Ų | 142 | 156.6 Ų | 156.6 | 66% | 0.657 | 81% | 0.811 | S | S | * | * | trans | 91.3 | 51.1 | 174 | -65.5 | -77.6 | 0 | 0 | 0 | 119.3 | ||||
| 1256 | R | 26.6 | Very low | 30.3 | Very low | 247 Ų | 247 | 153 Ų | 153 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -90.2 | 132.5 | 130.2 | -105.7 | 177.2 | 178.8 | 167.5 | 0.1 | 107.1 | ||
| 1257 | R | 25.8 | Very low | 30.7 | Very low | 233 Ų | 233 | 154.8 Ų | 154.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 88.2 | 129.9 | 177.2 | -56.9 | 179.9 | 166.1 | -175.3 | -4.8 | 116.2 | ||||
| 1258 | L | 29 | Very low | 31.1 | Very low | 146 Ų | 146 | 151.3 Ų | 151.3 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | 147.9 | 82.4 | 159.7 | -81.5 | 159.9 | 0 | 0 | 0 | 106.1 | ||||
| 1259 | S | 26.7 | Very low | 31.5 | Very low | 94 Ų | 94 | 148.3 Ų | 148.3 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | 34.6 | 104.7 | 62.6 | -157.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1260 | T | 26.2 | Very low | 32 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | trans | 60.1 | 130 | 142.9 | 55.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1261 | C | 28.5 | Very low | 32.3 | Very low | 126 Ų | 126 | 143 Ų | 143 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | trans | 102.8 | 95.4 | 163.3 | -56.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1262 | G | 31.9 | Very low | 32.8 | Very low | 85 Ų | 85 | 137.8 Ų | 137.8 | 88% | 0.876 | 71% | 0.71 | S | S | * | * | 80.2 | 45.4 | 120.5 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 1263 | L | 37.6 | Very low | 33.4 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 70% | 0.702 | 68% | 0.68 | S | S | * | * | trans | -121.6 | 137.1 | 166.4 | -79.8 | 161.4 | 0 | 0 | 0 | 111.4 | I1265 | L1263-I1265 PolarHBondContact O-N 3.42Š| ||
| 1264 | P | 36.4 | Very low | 33.8 | Very low | 86 Ų | 86 | 129.5 Ų | 129.5 | 56% | 0.558 | 66% | 0.662 | S | S | * | * | trans | -65 | 128 | -178.1 | 24.3 | -30.7 | 0 | 0 | 0 | 110.9 | D1266 R1267 | P1264-D1266 PolarHBondContact O-N 2.88Å; P1264-D1266 VanDerWaalsContact O-N 3.1Å; P1264-R1267 PolarHBondContact O-N 3.48Å | ||
| 1265 | I | 40.2 | Very low | 34.3 | Very low | 137 Ų | 137 | 127.4 Ų | 127.4 | 70% | 0.703 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -54.5 | -30.5 | -174.1 | -121.6 | 157.7 | 0 | 0 | 0 | 113 | L1263 R1267 V1268 L1269 | L1263-I1265 PolarHBondContact O-N 3.42Å; I1265-R1267 VanDerWaalsContact C-N 3.33Å; I1265-R1267 PolarHBondContact O-N 3.39Å; I1265-V1268 PolarHBondContact O-N 3.45Å; I1265-L1269 HydrophobicContact CG2-CD1 4.01Å; I1265-L1269 PolarHBondContact O-N 3.48Å; I1265-L1269 VanDerWaalsContact O-N 3.09Å |
| 1266 | D | 38.6 | Very low | 34.7 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 58% | 0.583 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -54.9 | -44.5 | 176.1 | -177.8 | -0.8 | 0 | 0 | 0 | 112.1 | P1264 V1268 L1269 R1270 | P1264-D1266 PolarHBondContact O-N 2.88Å; P1264-D1266 VanDerWaalsContact O-N 3.1Å; D1266-V1268 VanDerWaalsContact C-N 3.3Å; D1266-V1268 PolarHBondContact O-N 3.3Å; D1266-L1269 PolarHBondContact O-N 3.47Å; D1266-R1270 WeakPolarHBondContact O-CB 3.41Å; D1266-R1270 PolarHBondContact O-N 3.46Å |
| 1267 | R | 37.5 | Very low | 35.3 | Very low | 189 Ų | 189 | 117.2 Ų | 117.2 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69 | -29.7 | -177.5 | -131.8 | -179.5 | -156.4 | 177.1 | 6.3 | 113 | P1264 I1265 K1271 | P1264-R1267 PolarHBondContact O-N 3.48Å; I1265-R1267 VanDerWaalsContact C-N 3.33Å; I1265-R1267 PolarHBondContact O-N 3.39Å; R1267-K1271 WeakPolarHBondContact O-CB 3.44Å; R1267-K1271 PolarHBondContact O-N 3.09Å |
| 1268 | V | 37.1 | Very low | 35.7 | Very low | 83 Ų | 83 | 115.7 Ų | 115.7 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -77.2 | -44.5 | 179.2 | 179.6 | 0 | 0 | 0 | 0 | 110 | I1265 D1266 K1271 H1272 | I1265-V1268 PolarHBondContact O-N 3.45Å; D1266-V1268 VanDerWaalsContact C-N 3.3Å; D1266-V1268 PolarHBondContact O-N 3.3Å; V1268-K1271 PolarHBondContact O-N 3.35Å; V1268-H1272 PolarHBondContact O-N 2.85Å |
| 1269 | L | 39.5 | Very low | 35.9 | Very low | 109 Ų | 109 | 115.5 Ų | 115.5 | 57% | 0.571 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62 | -44.6 | 176.1 | -74 | 168 | 0 | 0 | 0 | 111.6 | I1265 D1266 K1271 H1272 S1273 | I1265-L1269 HydrophobicContact CG2-CD1 4.01Å; I1265-L1269 PolarHBondContact O-N 3.48Å; I1265-L1269 VanDerWaalsContact O-N 3.09Å; D1266-L1269 PolarHBondContact O-N 3.47Å; L1269-K1271 PolarHBondContact O-N 2.81Å; L1269-H1272 PolarHBondContact O-N 3.03Å; L1269-S1273 PolarHBondContact O-N 3.46Å |
| 1270 | R | 40.7 | Very low | 36.3 | Very low | 140 Ų | 140 | 113.9 Ų | 113.9 | 53% | 0.528 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.1 | -36.8 | 178.7 | -157.9 | 171.7 | -172.4 | -179.8 | 1.1 | 112.8 | D1266 L1274 | D1266-R1270 WeakPolarHBondContact O-CB 3.41Å; D1266-R1270 PolarHBondContact O-N 3.46Å; R1270-L1274 HydrophobicContact CG-CD1 4.42Å; R1270-L1274 WeakPolarHBondContact O-CB 3.09Å; R1270-L1274 WeakPolarHBondContact O-CD1 3.45Å; R1270-L1274 VanDerWaalsContact O-CG 3.24Å; R1270-L1274 WeakPolarHBondContact O-CG 3.28Å; R1270-L1274 PolarHBondContact O-N 3.38Å; R1270-L1274 VanDerWaalsContact O-N 3.12Å |
| 1271 | K | 36.2 | Very low | 36.7 | Very low | 145 Ų | 145 | 112.3 Ų | 112.3 | 63% | 0.63 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69.8 | -35.8 | 175.6 | -160.3 | 177.3 | -175.1 | -177.5 | 0 | 111.6 | R1267 V1268 L1269 Q1275 | R1267-K1271 WeakPolarHBondContact O-CB 3.44Å; R1267-K1271 PolarHBondContact O-N 3.09Å; V1268-K1271 PolarHBondContact O-N 3.35Å; L1269-K1271 PolarHBondContact O-N 2.81Å; K1271-Q1275 WeakPolarHBondContact O-CB 3.37Å; K1271-Q1275 WeakPolarHBondContact O-CG 3.23Å; K1271-Q1275 PolarHBondContact O-N 3.44Å; K1271-Q1275 VanDerWaalsContact O-N 3.09Å |
| 1272 | H | 37.5 | Very low | 36.9 | Very low | 103 Ų | 103 | 109.3 Ų | 109.3 | 48% | 0.477 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.3 | -41.2 | 176 | -114.8 | -83.4 | 0 | 0 | 0 | 112.5 | V1268 L1269 Q1275 L1276 | V1268-H1272 PolarHBondContact O-N 2.85Å; L1269-H1272 PolarHBondContact O-N 3.03Å; H1272-Q1275 PolarHBondContact O-N 3.22Å; H1272-L1276 VanDerWaalsContact O-CG 3.28Å; H1272-L1276 WeakPolarHBondContact O-CG 3.25Å; H1272-L1276 PolarHBondContact O-N 3.27Å |
| 1273 | S | 41.2 | Very low | 37.3 | Very low | 35 Ų | 35 | 109.6 Ų | 109.6 | 25% | 0.245 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 176.6 | 96.4 | 0 | 0 | 0 | 0 | 111.4 | L1269 Q1275 L1276 N1277 | L1269-S1273 PolarHBondContact O-N 3.46Å; S1273-Q1275 PolarHBondContact O-N 3.47Å; S1273-L1276 PolarHBondContact O-N 2.92Å; S1273-N1277 PolarHBondContact O-N 2.96Å |
| 1274 | L | 37.6 | Very low | 37.2 | Very low | 101 Ų | 101 | 107.7 Ų | 107.7 | 53% | 0.529 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 175.8 | -73.3 | 169.4 | 0 | 0 | 0 | 113.1 | R1270 R1278 | R1270-L1274 HydrophobicContact CG-CD1 4.42Å; R1270-L1274 WeakPolarHBondContact O-CB 3.09Å; R1270-L1274 WeakPolarHBondContact O-CD1 3.45Å; R1270-L1274 VanDerWaalsContact O-CG 3.24Å; R1270-L1274 WeakPolarHBondContact O-CG 3.28Å; R1270-L1274 PolarHBondContact O-N 3.38Å; R1270-L1274 VanDerWaalsContact O-N 3.12Å; L1274-R1278 WeakPolarHBondContact O-CG 3.5Å; L1274-R1278 PolarHBondContact O-N 3.41Å; L1274-R1278 VanDerWaalsContact O-N 3.08Å |
| 1275 | Q | 36.9 | Very low | 37.2 | Very low | 108 Ų | 108 | 108.4 Ų | 108.4 | 51% | 0.505 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70 | -35 | 174 | -86.1 | -174.8 | -26.2 | 0 | 0 | 112.7 | K1271 H1272 S1273 K1279 | K1271-Q1275 WeakPolarHBondContact O-CB 3.37Å; K1271-Q1275 WeakPolarHBondContact O-CG 3.23Å; K1271-Q1275 PolarHBondContact O-N 3.44Å; K1271-Q1275 VanDerWaalsContact O-N 3.09Å; H1272-Q1275 PolarHBondContact O-N 3.22Å; S1273-Q1275 PolarHBondContact O-N 3.47Å; Q1275-K1279 WeakPolarHBondContact O-CG 3.36Å; Q1275-K1279 PolarHBondContact O-N 2.9Å; Q1275-K1279 VanDerWaalsContact O-N 3.13Å |
| 1276 | L | 36.8 | Very low | 37 | Very low | 85 Ų | 85 | 105.3 Ų | 105.3 | 45% | 0.445 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.3 | -43.2 | 176.4 | -72.9 | 165.3 | 0 | 0 | 0 | 111.1 | H1272 S1273 R1278 K1279 S1280 | H1272-L1276 VanDerWaalsContact O-CG 3.28Å; H1272-L1276 WeakPolarHBondContact O-CG 3.25Å; H1272-L1276 PolarHBondContact O-N 3.27Å; S1273-L1276 PolarHBondContact O-N 2.92Å; L1276-R1278 PolarHBondContact O-N 3.48Å; L1276-K1279 PolarHBondContact O-N 3.49Å; L1276-S1280 PolarHBondContact O-N 3.46Å; L1276-S1280 VanDerWaalsContact O-N 3.09Å |
| 1277 | N | 39.5 | Very low | 36.9 | Very low | 90 Ų | 90 | 103.8 Ų | 103.8 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 173.7 | -84.9 | -16.6 | 0 | 0 | 0 | 112 | S1273 K1279 S1280 L1281 | S1273-N1277 PolarHBondContact O-N 2.96Å; N1277-K1279 PolarHBondContact O-N 2.93Å; N1277-S1280 PolarHBondContact O-N 3.24Å; N1277-S1280 PolarHBondContact O-OG 3.47Å; N1277-L1281 PolarHBondContact O-N 2.75Å |
| 1278 | R | 34.6 | Very low | 37 | Very low | 201 Ų | 201 | 100.6 Ų | 100.6 | 76% | 0.758 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.7 | -34.1 | 176.3 | -78.8 | -176.5 | 178.1 | -174.9 | -0.7 | 114.1 | L1274 L1276 S1282 | L1274-R1278 WeakPolarHBondContact O-CG 3.5Å; L1274-R1278 PolarHBondContact O-N 3.41Å; L1274-R1278 VanDerWaalsContact O-N 3.08Å; L1276-R1278 PolarHBondContact O-N 3.48Å; R1278-S1282 PolarHBondContact O-N 3.13Å |
| 1279 | K | 32.7 | Very low | 37 | Very low | 143 Ų | 143 | 102.8 Ų | 102.8 | 62% | 0.622 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -73.6 | -26.9 | 176.1 | -77.3 | -177 | 175.7 | -175.6 | 0 | 113 | Q1275 L1276 N1277 S1282 I1283 | Q1275-K1279 WeakPolarHBondContact O-CG 3.36Å; Q1275-K1279 PolarHBondContact O-N 2.9Å; Q1275-K1279 VanDerWaalsContact O-N 3.13Å; L1276-K1279 PolarHBondContact O-N 3.49Å; N1277-K1279 PolarHBondContact O-N 2.93Å; K1279-S1282 PolarHBondContact O-OG 3.3Å; K1279-S1282 VanDerWaalsContact O-OG 3.04Å; K1279-I1283 WeakPolarHBondContact O-CG1 3.48Å |
| 1280 | S | 35.9 | Very low | 37.1 | Very low | 59 Ų | 59 | 103.2 Ų | 103.2 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.3 | -39.8 | 174.8 | 70.5 | 0 | 0 | 0 | 0 | 112.1 | L1276 N1277 I1283 | L1276-S1280 PolarHBondContact O-N 3.46Å; L1276-S1280 VanDerWaalsContact O-N 3.09Å; N1277-S1280 PolarHBondContact O-N 3.24Å; N1277-S1280 PolarHBondContact O-OG 3.47Å; S1280-I1283 PolarHBondContact O-N 3.2Å |
| 1281 | L | 33.8 | Very low | 37 | Very low | 90 Ų | 90 | 101.8 Ų | 101.8 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 175.6 | -85.7 | 133.7 | 0 | 0 | 0 | 113.3 | N1277 I1283 E1284 D1285 | N1277-L1281 PolarHBondContact O-N 2.75Å; L1281-I1283 VanDerWaalsContact C-N 3.26Å; L1281-I1283 PolarHBondContact O-N 3.37Å; L1281-E1284 PolarHBondContact O-N 3.17Å; L1281-D1285 PolarHBondContact O-N 3.06Å |
| 1282 | S | 33.3 | Very low | 37.2 | Very low | 63 Ų | 63 | 102.5 Ų | 102.5 | 44% | 0.441 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.7 | -21 | -179.1 | 62.3 | 0 | 0 | 0 | 0 | 114.5 | R1278 K1279 T1286 | R1278-S1282 PolarHBondContact O-N 3.13Å; K1279-S1282 PolarHBondContact O-OG 3.3Å; K1279-S1282 VanDerWaalsContact O-OG 3.04Å; S1282-T1286 PolarHBondContact O-N 3.09Å; S1282-T1286 PolarHBondContact O-OG1 2.98Å |
| 1283 | I | 38.7 | Very low | 37.3 | Very low | 91 Ų | 91 | 105.7 Ų | 105.7 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -78 | -30.2 | 178.2 | -66.3 | 168.1 | 0 | 0 | 0 | 110.6 | K1279 S1280 L1281 T1286 L1287 | K1279-I1283 WeakPolarHBondContact O-CG1 3.48Å; S1280-I1283 PolarHBondContact O-N 3.2Å; L1281-I1283 VanDerWaalsContact C-N 3.26Å; L1281-I1283 PolarHBondContact O-N 3.37Å; I1283-T1286 WeakPolarHBondContact CA-OG1 3.49Å; I1283-T1286 PolarHBondContact O-N 3.28Å; I1283-T1286 PolarHBondContact O-OG1 3.2Å; I1283-L1287 HydrophobicContact CG2-CD1 4.12Å; I1283-L1287 PolarHBondContact O-N 3.25Å |
| 1284 | E | 37 | Very low | 37.1 | Very low | 95 Ų | 95 | 111.6 Ų | 111.6 | 44% | 0.444 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67 | -39.7 | 173.6 | -68.2 | -178.8 | 156.1 | 0 | 0 | 111.3 | L1281 T1286 L1287 Q1288 | L1281-E1284 PolarHBondContact O-N 3.17Å; E1284-T1286 VanDerWaalsContact C-N 3.32Å; E1284-T1286 PolarHBondContact O-N 2.94Å; E1284-L1287 PolarHBondContact O-N 2.95Å; E1284-Q1288 PolarHBondContact O-N 3.19Å |
| 1285 | D | 35.6 | Very low | 37.2 | Very low | 100 Ų | 100 | 115.1 Ų | 115.1 | 54% | 0.535 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.6 | -32.8 | 176.8 | -67 | -25.5 | 0 | 0 | 0 | 112.7 | L1281 Q1289 | L1281-D1285 PolarHBondContact O-N 3.06Å; D1285-Q1289 PolarHBondContact O-N 3.01Å |
| 1286 | T | 36.2 | Very low | 37 | Very low | 72 Ų | 72 | 117 Ų | 117 | 44% | 0.442 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -77.3 | -28.9 | 178.3 | 5.6 | 0 | 0 | 0 | 0 | 112.9 | S1282 I1283 E1284 Q1290 | S1282-T1286 PolarHBondContact O-N 3.09Å; S1282-T1286 PolarHBondContact O-OG1 2.98Å; I1283-T1286 WeakPolarHBondContact CA-OG1 3.49Å; I1283-T1286 PolarHBondContact O-N 3.28Å; I1283-T1286 PolarHBondContact O-OG1 3.2Å; E1284-T1286 VanDerWaalsContact C-N 3.32Å; E1284-T1286 PolarHBondContact O-N 2.94Å; T1286-Q1290 PolarHBondContact O-N 3.17Å |
| 1287 | L | 36.1 | Very low | 36.9 | Very low | 77 Ų | 77 | 120.3 Ų | 120.3 | 40% | 0.403 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -75.6 | -33.6 | 176.8 | -88.3 | 155 | 0 | 0 | 0 | 112.4 | I1283 E1284 Q1289 Q1290 Q1291 | I1283-L1287 HydrophobicContact CG2-CD1 4.12Å; I1283-L1287 PolarHBondContact O-N 3.25Å; E1284-L1287 PolarHBondContact O-N 2.95Å; L1287-Q1289 VanDerWaalsContact C-N 3.33Å; L1287-Q1290 PolarHBondContact O-N 3.41Å; L1287-Q1291 PolarHBondContact O-N 3.49Å |
| 1288 | Q | 39 | Very low | 36.6 | Very low | 122 Ų | 122 | 122 Ų | 122 | 57% | 0.57 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.7 | -35.8 | 172.8 | -73.9 | -176.6 | -0.9 | 0 | 0 | 112.3 | E1284 | E1284-Q1288 PolarHBondContact O-N 3.19Å |
| 1289 | Q | 39.2 | Very low | 36.3 | Very low | 130 Ų | 130 | 118.2 Ų | 118.2 | 61% | 0.607 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71.5 | -30.2 | 175.9 | -71.9 | 179.2 | -2.2 | 0 | 0 | 113.3 | D1285 L1287 | D1285-Q1289 PolarHBondContact O-N 3.01Å; L1287-Q1289 VanDerWaalsContact C-N 3.33Å |
| 1290 | Q | 39.7 | Very low | 36.2 | Very low | 118 Ų | 118 | 116.6 Ų | 116.6 | 55% | 0.551 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76.4 | -29.1 | 176.5 | -76.4 | -178.7 | -12.5 | 0 | 0 | 113.3 | T1286 L1287 Q1293 | T1286-Q1290 PolarHBondContact O-N 3.17Å; L1287-Q1290 PolarHBondContact O-N 3.41Å; Q1290-Q1293 PolarHBondContact O-N 3.19Å |
| 1291 | Q | 40.5 | Very low | 36 | Very low | 109 Ų | 109 | 118.6 Ų | 118.6 | 51% | 0.509 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -75.5 | -25.2 | 177.9 | -75.4 | 178 | -9.3 | 0 | 0 | 113.3 | L1287 Q1293 | L1287-Q1291 PolarHBondContact O-N 3.49Å; Q1291-Q1293 PolarHBondContact O-N 3.37Å |
| 1292 | Q | 39.1 | Very low | 36 | Very low | 161 Ų | 161 | 120.5 Ų | 120.5 | 75% | 0.752 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -8.6 | 173.8 | -87.4 | 166.2 | -15.3 | 0 | 0 | 114.2 | ||
| 1293 | Q | 39.1 | Very low | 36 | Very low | 170 Ų | 170 | 123.3 Ų | 123.3 | 79% | 0.794 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 4.3 | -179.7 | -69.5 | -178.9 | -6.8 | 0 | 0 | 114.2 | Q1290 Q1291 | Q1290-Q1293 PolarHBondContact O-N 3.19Å; Q1291-Q1293 PolarHBondContact O-N 3.37Å |
| 1294 | Q | 38.7 | Very low | 35.7 | Very low | 159 Ų | 159 | 121.6 Ų | 121.6 | 74% | 0.743 | 63% | 0.63 | S | S | * | * | trans | -109.6 | 22.6 | -175.5 | -84.6 | -178.6 | -19.2 | 0 | 0 | 114.6 | D1296 | Q1294-D1296 VanDerWaalsContact C-N 3.28Å; Q1294-D1296 PolarHBondContact O-N 3.23Å | ||
| 1295 | H | 38.7 | Very low | 35.3 | Very low | 175 Ų | 175 | 121.1 Ų | 121.1 | 81% | 0.81 | 63% | 0.631 | S | S | * | * | trans | -79 | 3.4 | -174.5 | -115.8 | -57.7 | 0 | 0 | 0 | 116.3 | ||||
| 1296 | D | 33.5 | Very low | 35.2 | Very low | 147 Ų | 147 | 119.5 Ų | 119.5 | 79% | 0.786 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -120.4 | 82.6 | -177.4 | -63.9 | -34.3 | 0 | 0 | 0 | 111.8 | Q1294 | Q1294-D1296 VanDerWaalsContact C-N 3.28Å; Q1294-D1296 PolarHBondContact O-N 3.23Å |
| 1297 | N | 33.3 | Very low | 34.9 | Very low | 154 Ų | 154 | 121.3 Ų | 121.3 | 82% | 0.824 | 63% | 0.625 | S | S | * | * | trans | 158.7 | 105.1 | 150.4 | -87.6 | -32.6 | 0 | 0 | 0 | 111.4 | T1299 | N1297-T1299 PolarHBondContact O-N 3.02Š| ||
| 1298 | P | 33.8 | Very low | 34.7 | Very low | 126 Ų | 126 | 121.7 Ų | 121.7 | 82% | 0.818 | 63% | 0.627 | S | S | * | * | trans | -103.9 | 65.7 | -174.8 | 39.2 | -30.9 | 0 | 0 | 0 | 112 | ||||
| 1299 | T | 29.5 | Very low | 34.5 | Very low | 121 Ų | 121 | 117.7 Ų | 117.7 | 74% | 0.742 | 61% | 0.609 | S | S | * | * | trans | -153.8 | 103.7 | 169.8 | 50.1 | 0 | 0 | 0 | 0 | 111.7 | N1297 | N1297-T1299 PolarHBondContact O-N 3.02Š| ||
| 1300 | S | 29.6 | Very low | 34.3 | Very low | 110 Ų | 110 | 114.1 Ų | 114.1 | 77% | 0.769 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 131.2 | 141.5 | 163.7 | 66.6 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1301 | N | 32.7 | Very low | 34.2 | Very low | 100 Ų | 100 | 111.4 Ų | 111.4 | 54% | 0.535 | 58% | 0.582 | S | S | . | * | trans | 83.3 | 75.1 | 174.9 | -63.4 | -23.4 | 0 | 0 | 0 | 118 | T1304 N1305 | N1301-T1304 WeakPolarHBondContact CB-OG1 3.19Å; N1301-T1304 VanDerWaalsContact CG-OG1 3.23Å; N1301-T1304 PolarHBondContact OD1-OG1 3.49Å; N1301-N1305 PolarHBondContact O-ND2 2.99Å | ||
| 1302 | Q | 32.7 | Very low | 34 | Very low | 130 Ų | 130 | 109.9 Ų | 109.9 | 61% | 0.607 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -103.4 | -31.8 | 162.7 | -77.7 | -178.4 | -16.5 | 0 | 0 | 113.6 | ||
| 1303 | N | 32.9 | Very low | 34 | Very low | 122 Ų | 122 | 103.7 Ų | 103.7 | 65% | 0.652 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -82.1 | -25.5 | 178.6 | -73.6 | -3.3 | 0 | 0 | 0 | 114.2 | N1305 | N1303-N1305 VanDerWaalsContact C-N 3.34Å |
| 1304 | T | 32.5 | Very low | 34 | Very low | 56 Ų | 56 | 101.4 Ų | 101.4 | 34% | 0.344 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -76 | -24 | 176.2 | 41.1 | 0 | 0 | 0 | 0 | 112.4 | N1301 L1308 | N1301-T1304 WeakPolarHBondContact CB-OG1 3.19Å; N1301-T1304 VanDerWaalsContact CG-OG1 3.23Å; N1301-T1304 PolarHBondContact OD1-OG1 3.49Å; T1304-L1308 VanDerWaalsContact O-CB 3.26Å; T1304-L1308 WeakPolarHBondContact O-CB 3.49Å; T1304-L1308 WeakPolarHBondContact O-CD1 3.46Å; T1304-L1308 PolarHBondContact O-N 3.37Å |
| 1305 | N | 30 | Very low | 34 | Very low | 84 Ų | 84 | 97.9 Ų | 97.9 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.5 | -29.8 | 179.8 | -75.5 | -16 | 0 | 0 | 0 | 112.9 | N1301 N1303 I1309 | N1301-N1305 PolarHBondContact O-ND2 2.99Å; N1303-N1305 VanDerWaalsContact C-N 3.34Å; N1305-I1309 WeakPolarHBondContact O-CD1 3.24Å; N1305-I1309 WeakPolarHBondContact O-CG1 3.5Å; N1305-I1309 PolarHBondContact O-N 2.88Å; N1305-I1309 VanDerWaalsContact O-N 3.08Å |
| 1306 | L | 31.9 | Very low | 34 | Very low | 67 Ų | 67 | 94.6 Ų | 94.6 | 35% | 0.351 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.7 | -42.4 | 175.8 | -121.6 | 80.2 | 0 | 0 | 0 | 112.2 | L1308 I1309 D1310 | L1306-L1308 VanDerWaalsContact C-N 3.3Å; L1306-L1308 PolarHBondContact O-N 3.06Å; L1306-I1309 WeakPolarHBondContact O-CB 3.34Å; L1306-I1309 PolarHBondContact O-N 3.27Å; L1306-I1309 VanDerWaalsContact O-N 3.15Å; L1306-D1310 PolarHBondContact O-N 3.21Å; L1306-D1310 VanDerWaalsContact O-N 3.17Å |
| 1307 | E | 31.7 | Very low | 34.6 | Very low | 110 Ų | 110 | 89.1 Ų | 89.1 | 51% | 0.514 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.9 | -35.1 | 172.1 | -72.7 | -173.3 | 161.3 | 0 | 0 | 111.8 | I1309 D1310 Q1311 | E1307-I1309 VanDerWaalsContact C-N 3.28Å; E1307-I1309 PolarHBondContact O-N 3.18Å; E1307-D1310 PolarHBondContact O-N 3.4Å; E1307-Q1311 VanDerWaalsContact O-CB 3.32Å; E1307-Q1311 WeakPolarHBondContact O-CB 3.34Å; E1307-Q1311 WeakPolarHBondContact O-CG 3.49Å; E1307-Q1311 PolarHBondContact O-N 2.9Å |
| 1308 | L | 31.5 | Very low | 35.5 | Very low | 84 Ų | 84 | 83.6 Ų | 83.6 | 44% | 0.44 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.2 | -32.3 | 173 | -100.2 | 146.6 | 0 | 0 | 0 | 112.2 | T1304 L1306 H1312 | T1304-L1308 VanDerWaalsContact O-CB 3.26Å; T1304-L1308 WeakPolarHBondContact O-CB 3.49Å; T1304-L1308 WeakPolarHBondContact O-CD1 3.46Å; T1304-L1308 PolarHBondContact O-N 3.37Å; L1306-L1308 VanDerWaalsContact C-N 3.3Å; L1306-L1308 PolarHBondContact O-N 3.06Å; L1308-H1312 VanDerWaalsContact O-CB 3.25Å; L1308-H1312 WeakPolarHBondContact O-CB 3.26Å; L1308-H1312 PolarHBondContact O-N 3.34Å |
| 1309 | I | 35.1 | Very low | 37 | Very low | 38 Ų | 38 | 80.2 Ų | 80.2 | 20% | 0.195 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70.6 | -46.1 | 177 | -74.2 | 164.3 | 0 | 0 | 0 | 110.8 | N1305 L1306 E1307 Q1311 H1312 F1313 | N1305-I1309 WeakPolarHBondContact O-CD1 3.24Å; N1305-I1309 WeakPolarHBondContact O-CG1 3.5Å; N1305-I1309 PolarHBondContact O-N 2.88Å; N1305-I1309 VanDerWaalsContact O-N 3.08Å; L1306-I1309 WeakPolarHBondContact O-CB 3.34Å; L1306-I1309 PolarHBondContact O-N 3.27Å; L1306-I1309 VanDerWaalsContact O-N 3.15Å; E1307-I1309 VanDerWaalsContact C-N 3.28Å; E1307-I1309 PolarHBondContact O-N 3.18Å; I1309-Q1311 VanDerWaalsContact C-N 3.3Å; I1309-Q1311 PolarHBondContact O-N 3.28Å; I1309-H1312 CarbonylContact O-C 3.44Å; I1309-H1312 PolarHBondContact O-N 3.13Å; I1309-H1312 VanDerWaalsContact O-N 3.07Å; I1309-F1313 HydrophobicContact CG2-CD2 3.51Å; I1309-F1313 HydrophobicContact CG2-CE2 3.15Å; I1309-F1313 HydrophobicContact CG2-CZ 4.19Å; I1309-F1313 WeakPolarHBondContact O-CD2 2.98Å; I1309-F1313 PolarHBondContact O-N 3.42Å |
| 1310 | D | 34.2 | Very low | 39.5 | Very low | 56 Ų | 56 | 75.8 Ų | 75.8 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.1 | -37 | 173.8 | -81.8 | -18.1 | 0 | 0 | 0 | 112.1 | T1164 L1306 E1307 N1314 | T1164-D1310 WeakPolarHBondContact CB-OD1 3.42Å; T1164-D1310 WeakPolarHBondContact CG2-OD1 3.11Å; T1164-D1310 VanDerWaalsContact OG1-CG 3.23Å; T1164-D1310 PolarHBondContact OG1-OD1 2.94Å; T1164-D1310 PolarHBondContact OG1-OD2 2.98Å; L1306-D1310 PolarHBondContact O-N 3.21Å; L1306-D1310 VanDerWaalsContact O-N 3.17Å; E1307-D1310 PolarHBondContact O-N 3.4Å; D1310-N1314 PolarHBondContact O-N 3.41Å; D1310-N1314 PolarHBondContact O-ND2 3.01Å |
| 1311 | Q | 37.9 | Very low | 42.2 | Very low | 60 Ų | 60 | 70.9 Ų | 70.9 | 28% | 0.28 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.5 | -31.9 | 172.5 | -71.1 | 171.2 | 18.8 | 0 | 0 | 112.3 | E1307 I1309 K1315 | E1307-Q1311 VanDerWaalsContact O-CB 3.32Å; E1307-Q1311 WeakPolarHBondContact O-CB 3.34Å; E1307-Q1311 WeakPolarHBondContact O-CG 3.49Å; E1307-Q1311 PolarHBondContact O-N 2.9Å; I1309-Q1311 VanDerWaalsContact C-N 3.3Å; I1309-Q1311 PolarHBondContact O-N 3.28Å; Q1311-K1315 PolarHBondContact O-N 3.39Å |
| 1312 | H | 35.3 | Very low | 45 | Very low | 77 Ų | 77 | 66.1 Ų | 66.1 | 36% | 0.356 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -76.2 | -31.2 | 176.3 | -122.2 | -81.7 | 0 | 0 | 0 | 112.8 | L1308 I1309 K1315 | L1308-H1312 VanDerWaalsContact O-CB 3.25Å; L1308-H1312 WeakPolarHBondContact O-CB 3.26Å; L1308-H1312 PolarHBondContact O-N 3.34Å; I1309-H1312 CarbonylContact O-C 3.44Å; I1309-H1312 PolarHBondContact O-N 3.13Å; I1309-H1312 VanDerWaalsContact O-N 3.07Å; H1312-K1315 PolarHBondContact CE1-NZ 3.29Å; H1312-K1315 VanDerWaalsContact CE1-NZ 3.28Å; H1312-K1315 PolarHBondContact NE2-NZ 3.32Å; H1312-K1315 VanDerWaalsContact NE2-NZ 3.11Å; H1312-K1315 WeakPolarHBondContact O-CB 3.47Å; H1312-K1315 PolarHBondContact O-N 3.09Å |
| 1313 | F | 39.9 | Very low | 47.7 | Very low | 32 Ų | 32 | 60 Ų | 60 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -77.8 | -29 | 177.3 | -73 | -54.4 | 0 | 0 | 0 | 112.9 | I1309 K1315 T1335 | I1309-F1313 HydrophobicContact CG2-CD2 3.51Å; I1309-F1313 HydrophobicContact CG2-CE2 3.15Å; I1309-F1313 HydrophobicContact CG2-CZ 4.19Å; I1309-F1313 WeakPolarHBondContact O-CD2 2.98Å; I1309-F1313 PolarHBondContact O-N 3.42Å; F1313-K1315 PolarHBondContact O-N 3.01Å; F1313-T1335 HydrophobicContact CD1-CG2 3.63Å; F1313-T1335 HydrophobicContact CE1-CG2 3.41Å; F1313-T1335 VanDerWaalsContact CE1-CG2 3.41Å; F1313-T1335 HydrophobicContact CE2-CG2 4.4Å; F1313-T1335 HydrophobicContact CG-CG2 4.29Å; F1313-T1335 HydrophobicContact CZ-CG2 3.84Å |
| 1314 | N | 39.7 | Very low | 50.5 | Low | 122 Ų | 122 | 54.2 Ų | 54.2 | 65% | 0.652 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -12 | 166.7 | -78.1 | -33.7 | 0 | 0 | 0 | 113.6 | D1310 | D1310-N1314 PolarHBondContact O-N 3.41Å; D1310-N1314 PolarHBondContact O-ND2 3.01Å |
| 1315 | K | 37.6 | Very low | 53.2 | Low | 85 Ų | 85 | 51.9 Ų | 51.9 | 37% | 0.37 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -20.8 | 178.7 | -150.9 | 179.9 | -174.6 | -179.7 | 0 | 113 | Q1311 H1312 F1313 G1317 | Q1311-K1315 PolarHBondContact O-N 3.39Å; H1312-K1315 PolarHBondContact CE1-NZ 3.29Å; H1312-K1315 VanDerWaalsContact CE1-NZ 3.28Å; H1312-K1315 PolarHBondContact NE2-NZ 3.32Å; H1312-K1315 VanDerWaalsContact NE2-NZ 3.11Å; H1312-K1315 WeakPolarHBondContact O-CB 3.47Å; H1312-K1315 PolarHBondContact O-N 3.09Å; F1313-K1315 PolarHBondContact O-N 3.01Å; K1315-G1317 PolarHBondContact O-N 3.13Å |
| 1316 | F | 38.4 | Very low | 56.1 | Low | 106 Ų | 106 | 47.9 Ų | 47.9 | 47% | 0.465 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -92.8 | 73.4 | 175.5 | -69.7 | -80.3 | 0 | 0 | 0 | 110.2 | ||
| 1317 | G | 45.5 | Very low | 58.7 | Low | 32 Ų | 32 | 46.8 Ų | 46.8 | 33% | 0.33 | 24% | 0.238 | S | C | . | . | trans | -59.9 | 143.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K1315 | K1315-G1317 PolarHBondContact O-N 3.13Š| ||
| 1318 | L | 53.8 | Low | 61.2 | Low | 37 Ų | 37 | 42.9 Ų | 42.9 | 19% | 0.194 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 83.6 | -3.6 | 156.1 | -68.2 | -174.7 | 0 | 0 | 0 | 122.1 | S1033 I1072 | S1033-L1318 WeakPolarHBondContact O-CD1 3.27Å; S1033-L1318 WeakPolarHBondContact O-CG 3.36Å; I1072-L1318 HydrophobicContact CD1-CD2 4.3Å |
| 1319 | N | 65 | Low | 63.8 | Low | 56 Ų | 56 | 46.7 Ų | 46.7 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | trans | -114.3 | 39.5 | -175 | -91.2 | -4.2 | 0 | 0 | 0 | 113.9 | K1070 L1204 S1205 | K1070-N1319 WeakPolarHBondContact CE-OD1 3.45Å; K1070-N1319 PolarHBondContact NZ-OD1 3.21Å; L1204-N1319 CarbonylContact C-O 3.56Å; S1205-N1319 WeakPolarHBondContact CB-O 3.26Å; S1205-N1319 PolarHBondContact N-O 3.33Å; S1205-N1319 WeakPolarHBondContact OG-CB 3.09Å; S1205-N1319 PolarHBondContact OG-O 3.02Å | ||
| 1320 | R | 81.8 | Confident | 66.2 | Low | 28 Ų | 28 | 46.2 Ų | 46.2 | 11% | 0.106 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 152.2 | 172.1 | -68.3 | -179.4 | 179.6 | -105 | 1.1 | 111.7 | K1070 Y1202 R1203 L1204 T1335 | K1070-R1320 VanDerWaalsContact CA-O 3.24Å; K1070-R1320 WeakPolarHBondContact CA-O 3.17Å; K1070-R1320 WeakPolarHBondContact CB-O 3.44Å; K1070-R1320 VanDerWaalsContact CG-O 3.29Å; K1070-R1320 WeakPolarHBondContact CG-O 3.45Å; Y1202-R1320 HydrophobicContact CD1-CB 3.94Å; Y1202-R1320 HydrophobicContact CD1-CG 4.31Å; Y1202-R1320 HydrophobicContact CD2-CB 3.78Å; Y1202-R1320 HydrophobicContact CE1-CB 3.62Å; Y1202-R1320 VanDerWaalsContact CE1-CD 3.44Å; Y1202-R1320 HydrophobicContact CE1-CG 4.16Å; Y1202-R1320 HydrophobicContact CE2-CB 3.42Å; Y1202-R1320 VanDerWaalsContact CE2-CB 3.42Å; Y1202-R1320 HydrophobicContact CG-CB 4.01Å; Y1202-R1320 PolarHBondContact O-NH1 3.48Å; R1203-R1320 CarbonylContact O-C 3.59Å; R1203-R1320 WeakPolarHBondContact O-CA 3.28Å; L1204-R1320 HydrophobicContact CD2-CG 3.52Å; L1204-R1320 HydrophobicContact CG-CG 3.9Å; R1320-T1335 PolarHBondContact NH1-O 3.04Å; R1320-T1335 PolarHBondContact NH2-O 3.43Å |
| 1321 | Y | 86.7 | Confident | 68.8 | Low | 7 Ų | 7 | 49.2 Ų | 49.2 | 3% | 0.027 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 154.6 | 176.4 | 64.5 | -82.1 | 0 | 0 | 0 | 111.1 | W584 N587 A1069 Y1202 R1203 I1323 | W584-Y1321 HydrophobicContact CB-CD1 3.9Å; W584-Y1321 HydrophobicContact CB-CE1 3.44Å; W584-Y1321 VanDerWaalsContact CB-CE1 3.44Å; W584-Y1321 HydrophobicContact CB-CE2 4.09Å; W584-Y1321 HydrophobicContact CB-CG 4.43Å; W584-Y1321 HydrophobicContact CE3-CD2 4.44Å; W584-Y1321 HydrophobicContact CE3-CG 4.19Å; W584-Y1321 WeakPolarHBondContact O-CE2 3.41Å; N587-Y1321 HydrophobicContact CB-CE2 3.9Å; N587-Y1321 PolarHBondContact ND2-OH 3.12Å; A1069-Y1321 WeakPolarHBondContact O-CA 3.42Å; Y1202-Y1321 CarbonylContact C-O 3.42Å; Y1202-Y1321 WeakPolarHBondContact CA-O 3.47Å; Y1202-Y1321 WeakPolarHBondContact CD2-O 3.43Å; R1203-Y1321 HydrophobicContact CB-CE1 4.01Å; R1203-Y1321 VanDerWaalsContact CD-OH 3.23Å; R1203-Y1321 WeakPolarHBondContact CD-OH 3.44Å; R1203-Y1321 HydrophobicContact CG-CE1 3.82Å; R1203-Y1321 PolarHBondContact N-O 3.08Å; R1203-Y1321 WeakPolarHBondContact O-CD1 3.37Å; R1203-Y1321 WeakPolarHBondContact O-CE1 3.36Å; R1203-Y1321 PolarHBondContact O-N 3.5Å; Y1321-I1323 HydrophobicContact CD2-CD1 4.34Å; Y1321-I1323 HydrophobicContact CD2-CG1 3.88Å; Y1321-I1323 HydrophobicContact CE2-CD1 3.56Å; Y1321-I1323 HydrophobicContact CE2-CG1 3.53Å |
| 1322 | V | 90.4 | Very high | 71.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 138.4 | -175.3 | -180 | 0 | 0 | 0 | 0 | 111.2 | G435 T438 L439 Y588 A1069 I1201 Y1202 F1339 | G435-V1322 WeakPolarHBondContact O-CG2 3.47Å; T438-V1322 HydrophobicContact CG2-CB 4.26Å; T438-V1322 HydrophobicContact CG2-CG2 4.24Å; L439-V1322 HydrophobicContact CB-CG1 3.83Å; L439-V1322 HydrophobicContact CD1-CG1 3.6Å; L439-V1322 HydrophobicContact CG-CG1 4.35Å; Y588-V1322 VanDerWaalsContact CD2-O 3.29Å; Y588-V1322 WeakPolarHBondContact CD2-O 3.28Å; A1069-V1322 PolarHBondContact O-N 3.43Å; A1069-V1322 VanDerWaalsContact O-N 3.1Å; I1201-V1322 CarbonylContact O-C 3.54Å; Y1202-V1322 HydrophobicContact CD2-CG2 3.95Å; Y1202-V1322 HydrophobicContact CE2-CG2 4.17Å; V1322-F1339 HydrophobicContact CG1-CE2 4.13Å; V1322-F1339 HydrophobicContact CG2-CE2 4.23Å; V1322-F1339 HydrophobicContact CG2-CZ 4.24Å |
| 1323 | I | 90.6 | Very high | 73.3 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 106.5 | 171.3 | -54.2 | 166.9 | 0 | 0 | 0 | 107.6 | N587 G1200 I1201 R1203 Y1321 P1326 F1330 | N587-I1323 HydrophobicContact CB-CD1 3.88Å; N587-I1323 HydrophobicContact CB-CG1 4.21Å; G1200-I1323 CarbonylContact C-O 3.59Å; G1200-I1323 WeakPolarHBondContact CA-O 3.47Å; I1201-I1323 HydrophobicContact CB-CB 4.39Å; I1201-I1323 PolarHBondContact N-O 3.15Å; I1201-I1323 PolarHBondContact O-N 3.46Å; R1203-I1323 HydrophobicContact CB-CD1 4.12Å; Y1321-I1323 HydrophobicContact CD2-CD1 4.34Å; Y1321-I1323 HydrophobicContact CD2-CG1 3.88Å; Y1321-I1323 HydrophobicContact CE2-CD1 3.56Å; Y1321-I1323 HydrophobicContact CE2-CG1 3.53Å; I1323-P1326 HydrophobicContact CG2-CB 4.08Å; I1323-F1330 HydrophobicContact CD1-CE1 4.16Å; I1323-F1330 HydrophobicContact CD1-CZ 3.75Å |
| 1324 | S | 90.7 | Very high | 75.1 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 137.8 | 175.6 | -41.7 | 0 | 0 | 0 | 0 | 110.7 | L439 G591 | L439-S1324 WeakPolarHBondContact CD1-OG 3.42Å; G591-S1324 WeakPolarHBondContact CA-O 3.49Å; G591-S1324 WeakPolarHBondContact O-CB 2.93Å; G591-S1324 PolarHBondContact O-OG 3.07Å |
| 1325 | N | 90.4 | Very high | 77 | Confident | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 39.1 | 62.4 | 173.6 | -171.4 | 35.2 | 0 | 0 | 0 | 114.7 | M594 R618 L624 I705 L1199 | M594-N1325 HydrophobicContact CB-CB 4.47Å; M594-N1325 HydrophobicContact CG-CB 4.07Å; M594-N1325 HydrophobicContact SD-CB 4.24Å; R618-N1325 PolarHBondContact NH1-OD1 3.32Å; L624-N1325 HydrophobicContact CD2-CB 4.24Å; I705-N1325 HydrophobicContact CB-CB 4.4Å; I705-N1325 HydrophobicContact CG2-CB 3.61Å; I705-N1325 PolarHBondContact O-ND2 3.28Å; L1199-N1325 PolarHBondContact O-N 3.32Å |
| 1326 | P | 89.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -63 | 154.3 | 179.2 | 27.9 | -35.4 | 0 | 0 | 0 | 111.2 | R618 Y1183 I1201 I1323 F1330 | R618-P1326 PolarHBondContact NH2-O 2.99Å; Y1183-P1326 HydrophobicContact CD1-CG 3.6Å; Y1183-P1326 HydrophobicContact CD2-CG 3.72Å; Y1183-P1326 HydrophobicContact CE1-CG 3.65Å; Y1183-P1326 HydrophobicContact CE2-CG 3.77Å; Y1183-P1326 HydrophobicContact CG-CG 3.61Å; I1201-P1326 HydrophobicContact CD1-CB 4.16Å; I1201-P1326 HydrophobicContact CD1-CG 3.69Å; I1201-P1326 HydrophobicContact CG1-CG 4.03Å; I1323-P1326 HydrophobicContact CG2-CB 4.08Å; P1326-F1330 HydrophobicContact CB-CB 4.02Å; P1326-F1330 HydrophobicContact CB-CD1 3.89Å; P1326-F1330 HydrophobicContact CB-CD2 4.3Å; P1326-F1330 HydrophobicContact CB-CE1 4.35Å; P1326-F1330 HydrophobicContact CB-CG 3.83Å | ||
| 1327 | P | 86.6 | Confident | 81.7 | Confident | 44 Ų | 44 | 34.2 Ų | 34.2 | 29% | 0.286 | 18% | 0.179 | S | C | . | . | trans | -60.4 | 158.7 | 178.9 | -24 | 34 | 0 | 0 | 0 | 113.7 | H1329 F1330 | P1327-H1329 VanDerWaalsContact C-N 3.31Å; P1327-H1329 PolarHBondContact O-N 2.69Å; P1327-F1330 WeakPolarHBondContact O-CB 2.99Å; P1327-F1330 PolarHBondContact O-N 3.09Å; P1327-F1330 VanDerWaalsContact O-N 3.08Å | ||
| 1328 | N | 84.8 | Confident | 83.9 | Confident | 28 Ų | 28 | 32.7 Ų | 32.7 | 15% | 0.15 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -42.1 | 178.8 | -82.8 | -32.1 | 0 | 0 | 0 | 114.4 | R618 D622 G1184 F1330 | R618-N1328 VanDerWaalsContact CZ-OD1 3.23Å; R618-N1328 PolarHBondContact NE-OD1 3.13Å; R618-N1328 PolarHBondContact NH2-OD1 3.44Å; R618-N1328 VanDerWaalsContact NH2-OD1 3.1Å; R618-N1328 PolarHBondContact O-ND2 3.44Å; D622-N1328 PolarHBondContact OD1-ND2 3.47Å; G1184-N1328 WeakPolarHBondContact CA-OD1 3.25Å; G1184-N1328 PolarHBondContact N-O 3.19Å; N1328-F1330 PolarHBondContact O-N 3.02Å |
| 1329 | H | 85.4 | Confident | 85.8 | Confident | 164 Ų | 164 | 31 Ų | 31 | 76% | 0.759 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 15.6 | -178.9 | -56.6 | -56.7 | 0 | 0 | 0 | 113.8 | P1327 E1331 | P1327-H1329 VanDerWaalsContact C-N 3.31Å; P1327-H1329 PolarHBondContact O-N 2.69Å; H1329-E1331 PolarHBondContact O-N 2.9Å |
| 1330 | F | 87.2 | Confident | 87 | Confident | 28 Ų | 28 | 28.3 Ų | 28.3 | 12% | 0.123 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 120.1 | -179.8 | -167.8 | -100.8 | 0 | 0 | 0 | 110.9 | N1182 Y1183 I1201 I1323 P1326 P1327 N1328 | N1182-F1330 WeakPolarHBondContact CA-O 3.32Å; Y1183-F1330 PolarHBondContact N-O 2.93Å; I1201-F1330 HydrophobicContact CD1-CD1 3.51Å; I1201-F1330 HydrophobicContact CD1-CE1 3.47Å; I1201-F1330 VanDerWaalsContact CD1-CE1 3.47Å; I1323-F1330 HydrophobicContact CD1-CE1 4.16Å; I1323-F1330 HydrophobicContact CD1-CZ 3.75Å; P1326-F1330 HydrophobicContact CB-CB 4.02Å; P1326-F1330 HydrophobicContact CB-CD1 3.89Å; P1326-F1330 HydrophobicContact CB-CD2 4.3Å; P1326-F1330 HydrophobicContact CB-CE1 4.35Å; P1326-F1330 HydrophobicContact CB-CG 3.83Å; P1327-F1330 WeakPolarHBondContact O-CB 2.99Å; P1327-F1330 PolarHBondContact O-N 3.09Å; P1327-F1330 VanDerWaalsContact O-N 3.08Å; N1328-F1330 PolarHBondContact O-N 3.02Å |
| 1331 | E | 87.3 | Confident | 87.4 | Confident | 120 Ų | 120 | 27 Ų | 27 | 56% | 0.561 | 14% | 0.135 | S | C | * | . | B | Isolated β-bridge | trans | -67.9 | 129.2 | -179.2 | -173.2 | 176.6 | -171.2 | 0 | 0 | 110.8 | R1181 R1203 H1329 | R1181-E1331 CarbonylContact O-C 3.43Å; R1181-E1331 WeakPolarHBondContact O-CA 3.45Å; R1203-E1331 PolarHBondContact NH2-O 3.5Å; H1329-E1331 PolarHBondContact O-N 2.9Å |
| 1332 | L | 85.9 | Confident | 87.5 | Confident | 14 Ų | 14 | 26.8 Ų | 26.8 | 7% | 0.073 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -95.2 | 137 | 178.1 | -68.9 | 174 | 0 | 0 | 0 | 111.3 | L1163 F1180 R1181 Y1183 L1186 I1201 I1338 | L1163-L1332 HydrophobicContact CD1-CB 4.16Å; L1163-L1332 HydrophobicContact CD2-CD1 4.23Å; F1180-L1332 HydrophobicContact CB-CD1 4.38Å; R1181-L1332 PolarHBondContact O-N 2.91Å; Y1183-L1332 HydrophobicContact CD2-CD2 4.2Å; L1186-L1332 HydrophobicContact CB-CD1 4.07Å; L1186-L1332 HydrophobicContact CD2-CD1 3.7Å; I1201-L1332 HydrophobicContact CD1-CD2 3.62Å; I1201-L1332 HydrophobicContact CG1-CD2 4.37Å; L1332-I1338 HydrophobicContact CD2-CD1 4.21Å |
| 1333 | Y | 82.9 | Confident | 87.2 | Confident | 68 Ų | 68 | 27.7 Ų | 27.7 | 27% | 0.267 | 14% | 0.14 | S | C | . | . | P | Polyproline II helix | trans | -101.6 | 146.9 | 171.6 | -61.6 | -68.4 | 0 | 0 | 0 | 110.5 | L1163 T1335 D1336 | L1163-Y1333 WeakPolarHBondContact CD1-O 3.43Å; Y1333-T1335 PolarHBondContact O-N 3.34Å; Y1333-D1336 PolarHBondContact N-OD2 3.42Å; Y1333-D1336 VanDerWaalsContact O-CB 3.28Å; Y1333-D1336 WeakPolarHBondContact O-CB 3.5Å; Y1333-D1336 PolarHBondContact O-N 3.47Å |
| 1334 | P | 78.2 | Confident | 86.6 | Confident | 50 Ų | 50 | 29.3 Ų | 29.3 | 33% | 0.325 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -21.7 | 178.7 | -26.2 | 34.2 | 0 | 0 | 0 | 114.9 | L1179 | L1179-P1334 HydrophobicContact CD1-CB 4.02Å; L1179-P1334 HydrophobicContact CD1-CG 4.04Å |
| 1335 | T | 78.5 | Confident | 85.8 | Confident | 16 Ų | 16 | 31.7 Ų | 31.7 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -12.2 | 178.6 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | L1204 F1313 R1320 Y1333 | L1204-T1335 HydrophobicContact CD1-CG2 4.13Å; F1313-T1335 HydrophobicContact CD1-CG2 3.63Å; F1313-T1335 HydrophobicContact CE1-CG2 3.41Å; F1313-T1335 VanDerWaalsContact CE1-CG2 3.41Å; F1313-T1335 HydrophobicContact CE2-CG2 4.4Å; F1313-T1335 HydrophobicContact CG-CG2 4.29Å; F1313-T1335 HydrophobicContact CZ-CG2 3.84Å; R1320-T1335 PolarHBondContact NH1-O 3.04Å; R1320-T1335 PolarHBondContact NH2-O 3.43Å; Y1333-T1335 PolarHBondContact O-N 3.34Å |
| 1336 | D | 85.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -68.2 | 141.4 | -177.2 | -70.2 | -26.8 | 0 | 0 | 0 | 110.9 | L1163 I1201 R1203 Y1333 | L1163-D1336 HydrophobicContact CD1-CB 3.76Å; I1201-D1336 HydrophobicContact CG2-CB 3.8Å; R1203-D1336 WeakPolarHBondContact CB-OD1 3.34Å; R1203-D1336 VanDerWaalsContact CG-OD1 3.31Å; R1203-D1336 WeakPolarHBondContact CG-OD1 3.37Å; R1203-D1336 IonicContact CZ-OD1 3.52Å; R1203-D1336 IonicContact CZ-OD2 3.2Å; R1203-D1336 IonicContact NE-OD1 3.39Å; R1203-D1336 PolarHBondContact NE-OD1 2.96Å; R1203-D1336 IonicContact NE-OD2 3.32Å; R1203-D1336 PolarHBondContact NE-OD2 3.47Å; R1203-D1336 IonicContact NH2-OD1 3.53Å; R1203-D1336 IonicContact NH2-OD2 3.87Å; R1203-D1336 PolarHBondContact NH2-OD2 2.9Å; Y1333-D1336 PolarHBondContact N-OD2 3.42Å; Y1333-D1336 VanDerWaalsContact O-CB 3.28Å; Y1333-D1336 WeakPolarHBondContact O-CB 3.5Å; Y1333-D1336 PolarHBondContact O-N 3.47Å | ||
| 1337 | V | 88.2 | Confident | 82.7 | Confident | 18 Ų | 18 | 39.9 Ų | 39.9 | 11% | 0.109 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 134.3 | 174.6 | 170.3 | 0 | 0 | 0 | 0 | 107.3 | Q1160 I1201 Y1202 | Q1160-V1337 HydrophobicContact CB-CG1 3.64Å; Q1160-V1337 HydrophobicContact CG-CG1 3.93Å; I1201-V1337 CarbonylContact C-O 3.49Å; I1201-V1337 WeakPolarHBondContact CA-O 3.47Å; Y1202-V1337 PolarHBondContact N-O 2.65Å; Y1202-V1337 PolarHBondContact O-N 3.05Å |
| 1338 | I | 91.9 | Very high | 80.9 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130.9 | -174.1 | -48.8 | -60.1 | 0 | 0 | 0 | 109.1 | Q1160 I1161 L1163 L1168 Y1183 L1186 C1198 G1200 I1201 L1332 C1340 | Q1160-I1338 WeakPolarHBondContact CA-O 3.25Å; I1161-I1338 PolarHBondContact N-O 3.4Å; I1161-I1338 PolarHBondContact O-N 3.05Å; L1163-I1338 HydrophobicContact CD2-CD1 4.12Å; L1163-I1338 HydrophobicContact CD2-CG1 3.9Å; L1163-I1338 HydrophobicContact CG-CD1 4.43Å; L1163-I1338 HydrophobicContact CG-CG1 4.29Å; L1168-I1338 HydrophobicContact CD1-CB 4.47Å; L1168-I1338 HydrophobicContact CD1-CG1 4.19Å; Y1183-I1338 HydrophobicContact CE2-CG2 4.32Å; L1186-I1338 HydrophobicContact CD2-CD1 4.09Å; L1186-I1338 HydrophobicContact CD2-CG1 3.98Å; C1198-I1338 HydrophobicContact CB-CG2 3.77Å; G1200-I1338 WeakPolarHBondContact O-CA 3.31Å; G1200-I1338 WeakPolarHBondContact O-CG2 3.43Å; I1201-I1338 HydrophobicContact CG1-CD1 3.84Å; L1332-I1338 HydrophobicContact CD2-CD1 4.21Å; I1338-C1340 VanDerWaalsContact CG2-SG 3.53Å |
| 1339 | F | 93.4 | Very high | 78.5 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 125.3 | 166.9 | -71.3 | -82.9 | 0 | 0 | 0 | 108.8 | A433 P434 F436 L439 Q1160 L1199 G1200 Y1202 V1322 | A433-F1339 HydrophobicContact CB-CD1 4.25Å; A433-F1339 HydrophobicContact CB-CE1 4.16Å; P434-F1339 WeakPolarHBondContact O-CZ 3.35Å; F436-F1339 HydrophobicContact CB-CE1 4.32Å; L439-F1339 HydrophobicContact CD1-CD2 4.48Å; L439-F1339 HydrophobicContact CD2-CB 4.15Å; L439-F1339 HydrophobicContact CD2-CD1 4.25Å; L439-F1339 HydrophobicContact CD2-CD2 4.41Å; L439-F1339 HydrophobicContact CD2-CG 4.06Å; Q1160-F1339 HydrophobicContact CG-CD1 3.93Å; Q1160-F1339 HydrophobicContact CG-CE1 4.09Å; Q1160-F1339 VanDerWaalsContact NE2-CZ 3.27Å; L1199-F1339 HydrophobicContact CB-CB 4.31Å; L1199-F1339 PolarHBondContact N-O 3.45Å; G1200-F1339 PolarHBondContact O-N 2.92Å; Y1202-F1339 HydrophobicContact CD2-CE2 4.36Å; Y1202-F1339 HydrophobicContact CD2-CZ 4.39Å; Y1202-F1339 HydrophobicContact CG-CE2 4.18Å; Y1202-F1339 HydrophobicContact CG-CZ 4.22Å; V1322-F1339 HydrophobicContact CG1-CE2 4.13Å; V1322-F1339 HydrophobicContact CG2-CE2 4.23Å; V1322-F1339 HydrophobicContact CG2-CZ 4.24Å |
| 1340 | C | 91.9 | Very high | 75.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 149.2 | -177.2 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | E1159 I1161 I1196 L1197 I1338 | E1159-C1340 PolarHBondContact N-O 3.25Å; E1159-C1340 PolarHBondContact O-N 2.86Å; I1161-C1340 HydrophobicContact CD1-CB 4.39Å; I1196-C1340 HydrophobicContact CG2-CB 3.57Å; L1197-C1340 CarbonylContact O-C 3.58Å; L1197-C1340 VanDerWaalsContact O-CA 3.25Å; L1197-C1340 WeakPolarHBondContact O-CA 3.3Å; I1338-C1340 VanDerWaalsContact CG2-SG 3.53Å |
| 1341 | L | 89.9 | Confident | 75.2 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 115.3 | 157.1 | -64.1 | 177.8 | 0 | 0 | 0 | 108.1 | I626 I686 L1099 P1156 R1157 I1158 L1197 L1199 | I626-L1341 HydrophobicContact CG2-CD1 4.04Å; I686-L1341 HydrophobicContact CG2-CD1 3.96Å; L1099-L1341 HydrophobicContact CD2-CD1 4.49Å; L1099-L1341 HydrophobicContact CD2-CD2 4.26Å; P1156-L1341 HydrophobicContact CB-CB 4.3Å; R1157-L1341 WeakPolarHBondContact O-CA 3.47Å; I1158-L1341 HydrophobicContact CG1-CD2 3.61Å; L1197-L1341 HydrophobicContact CB-CB 4.28Å; L1197-L1341 HydrophobicContact CD2-CD1 4.17Å; L1197-L1341 PolarHBondContact N-O 3.17Å; L1197-L1341 PolarHBondContact O-N 3.09Å; L1199-L1341 HydrophobicContact CD1-CD2 4.39Å; L1199-L1341 HydrophobicContact CD1-CG 4Å; L1199-L1341 HydrophobicContact CG-CG 4.42Å |
| 1342 | C | 87.5 | Confident | 74.6 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 138.2 | -179.7 | -61.2 | 0 | 0 | 0 | 0 | 110.1 | P1156 R1157 | P1156-C1342 WeakPolarHBondContact CA-O 3.49Å; R1157-C1342 HydrophobicContact CG-CB 4.1Å; R1157-C1342 PolarHBondContact N-O 2.97Å; R1157-C1342 PolarHBondContact O-N 3.37Å |
| 1343 | P | 84.6 | Confident | 74 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 158.9 | 172.6 | 29.9 | -33.6 | 0 | 0 | 0 | 111 | T689 Y1194 E1345 | T689-P1343 HydrophobicContact CG2-CB 3.59Å; Y1194-P1343 WeakPolarHBondContact O-CG 3.44Å; P1343-E1345 PolarHBondContact O-N 2.96Å |
| 1344 | F | 79 | Confident | 73.5 | Confident | 36 Ų | 36 | 55.6 Ų | 55.6 | 16% | 0.158 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -73 | 121.3 | 175.2 | -177.1 | -99.3 | 0 | 0 | 0 | 110.5 | N925 H927 Q1154 | N925-F1344 HydrophobicContact CB-CD2 4.48Å; N925-F1344 WeakPolarHBondContact O-CD2 3.48Å; N925-F1344 WeakPolarHBondContact O-CE2 3.24Å; H927-F1344 AromaticContact CE1-CE2 3.67Å; H927-F1344 AromaticContact CE1-CZ 3.39Å; H927-F1344 WeakPolarHBondContact CE1-CZ 3.39Å; H927-F1344 AromaticContact ND1-CZ 3.97Å; Q1154-F1344 HydrophobicContact CG-CD1 4.48Å |
| 1345 | E | 72.2 | Confident | 73.2 | Confident | 49 Ų | 49 | 56 Ų | 56 | 23% | 0.229 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -92.7 | 121.2 | 176.7 | -69.7 | 167.4 | 178.8 | 0 | 0 | 110.1 | H927 R1167 P1343 | H927-E1345 PolarHBondContact CE1-O 3.02Å; H927-E1345 PolarHBondContact NE2-O 3.42Å; R1167-E1345 IonicContact CZ-OE1 3.02Å; R1167-E1345 IonicContact CZ-OE2 3.47Å; R1167-E1345 IonicContact NE-OE1 3.94Å; R1167-E1345 IonicContact NH1-OE1 2.65Å; R1167-E1345 PolarHBondContact NH1-OE1 2.8Å; R1167-E1345 IonicContact NH1-OE2 3.4Å; R1167-E1345 PolarHBondContact NH1-OE2 3.06Å; R1167-E1345 VanDerWaalsContact NH2-CD 3.33Å; R1167-E1345 IonicContact NH2-OE1 3.1Å; R1167-E1345 PolarHBondContact NH2-OE1 2.87Å; R1167-E1345 VanDerWaalsContact NH2-OE1 3.1Å; R1167-E1345 IonicContact NH2-OE2 2.74Å; R1167-E1345 PolarHBondContact NH2-OE2 3.02Å; P1343-E1345 PolarHBondContact O-N 2.96Å |
| 1346 | S | 61.6 | Low | 72.8 | Confident | 62 Ų | 62 | 58.7 Ų | 58.7 | 43% | 0.434 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 138 | 175.6 | 60.2 | 0 | 0 | 0 | 0 | 111.6 | L1348 M1349 | S1346-L1348 PolarHBondContact O-N 3.35Å; S1346-M1349 PolarHBondContact O-N 3.2Å; S1346-M1349 VanDerWaalsContact O-N 3.16Å |
| 1347 | E | 54.4 | Low | 71.9 | Confident | 117 Ų | 117 | 62.9 Ų | 62.9 | 55% | 0.547 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -56.9 | -18.7 | 179.9 | -67.5 | -179.6 | 160 | 0 | 0 | 114 | H927 M1349 Y1350 | H927-E1347 IonicContact ND1-OE1 3.25Å; E1347-M1349 PolarHBondContact O-N 3.3Å; E1347-M1349 VanDerWaalsContact O-N 3.14Å; E1347-Y1350 PolarHBondContact O-N 2.95Å |
| 1348 | L | 47.6 | Very low | 70.6 | Confident | 170 Ų | 170 | 66.3 Ų | 66.3 | 89% | 0.89 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -68.8 | -1.9 | 176.8 | -81 | 149.9 | 0 | 0 | 0 | 114.9 | S1346 | S1346-L1348 PolarHBondContact O-N 3.35Š|
| 1349 | M | 34.4 | Very low | 68.8 | Low | 170 Ų | 170 | 71.8 Ų | 71.8 | 84% | 0.837 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -104.2 | 6.8 | 176.3 | -84.1 | -112.3 | -153.8 | 0 | 0 | 114.4 | S1346 E1347 | S1346-M1349 PolarHBondContact O-N 3.2Å; S1346-M1349 VanDerWaalsContact O-N 3.16Å; E1347-M1349 PolarHBondContact O-N 3.3Å; E1347-M1349 VanDerWaalsContact O-N 3.14Å |
| 1350 | Y | 29.8 | Very low | 66.6 | Low | 235 Ų | 235 | 78.3 Ų | 78.3 | 92% | 0.922 | 38% | 0.378 | S | S | * | . | trans | -108.9 | 0 | 175.3 | -90.6 | -75.9 | 0 | 0 | 0 | 113.9 | R1167 E1347 | R1167-Y1350 PolarHBondContact NH2-OH 3.03Å; E1347-Y1350 PolarHBondContact O-N 2.95Å |
Retrieved 1,350 of 1,350 residues in 2384 ms
(Link to these results)