| 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 | 60.5 | Low | 62.1 | Low | 210 Ų | 210 | 118.3 Ų | 118.3 | 100% | 1.034 | 63% | 0.626 | S | S | * | * | 0 | -67.7 | 0 | -66.1 | 178.2 | 79.5 | 0 | 0 | 111.8 | L3 H4 | M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 2.96Å; M1-H4 PolarHBondContact O-N 3.01Å | |||
| 2 | L | 57.1 | Low | 61.8 | Low | 151 Ų | 151 | 118.4 Ų | 118.4 | 79% | 0.791 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -44.3 | -41 | -174.1 | -73.4 | 166 | 0 | 0 | 0 | 116.3 | H4 S5 V6 | L2-H4 VanDerWaalsContact C-N 3.34Å; L2-H4 PolarHBondContact O-N 3.2Å; L2-S5 WeakPolarHBondContact CA-OG 3.39Å; L2-S5 PolarHBondContact O-N 3.05Å; L2-S5 PolarHBondContact O-OG 3.38Å; L2-V6 PolarHBondContact O-N 3.4Å |
| 3 | L | 56 | Low | 61.5 | Low | 141 Ų | 141 | 118.8 Ų | 118.8 | 74% | 0.738 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62 | -38.8 | -179.6 | -159.7 | 70.1 | 0 | 0 | 0 | 112.9 | M1 V6 T7 | M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 2.96Å; L3-V6 PolarHBondContact O-N 3.31Å; L3-T7 PolarHBondContact O-N 2.95Å; L3-T7 PolarHBondContact O-OG1 3.36Å |
| 4 | H | 59.1 | Low | 61.1 | Low | 147 Ų | 147 | 118.9 Ų | 118.9 | 68% | 0.681 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.7 | -38 | 178.7 | -74.6 | -76 | 0 | 0 | 0 | 112.6 | M1 L2 V6 T7 L8 | M1-H4 PolarHBondContact O-N 3.01Å; L2-H4 VanDerWaalsContact C-N 3.34Å; L2-H4 PolarHBondContact O-N 3.2Å; H4-V6 VanDerWaalsContact C-N 3.33Å; H4-V6 PolarHBondContact O-N 2.73Å; H4-T7 WeakPolarHBondContact CA-OG1 3.33Å; H4-T7 PolarHBondContact O-N 3.37Å; H4-T7 PolarHBondContact O-OG1 3.31Å; H4-L8 WeakPolarHBondContact O-CB 3.39Å; H4-L8 PolarHBondContact O-N 3.01Å |
| 5 | S | 60.4 | Low | 60.6 | Low | 69 Ų | 69 | 115.3 Ų | 115.3 | 48% | 0.483 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.3 | -36.8 | 175 | 34.1 | 0 | 0 | 0 | 0 | 112.2 | L2 A9 | L2-S5 WeakPolarHBondContact CA-OG 3.39Å; L2-S5 PolarHBondContact O-N 3.05Å; L2-S5 PolarHBondContact O-OG 3.38Å; S5-A9 WeakPolarHBondContact O-CB 3.38Å; S5-A9 PolarHBondContact O-N 3.49Å |
| 6 | V | 67.2 | Low | 60.2 | Low | 89 Ų | 89 | 114 Ų | 114 | 54% | 0.539 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.9 | -45.7 | 174.5 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | L2 L3 H4 L8 A9 V10 | L2-V6 PolarHBondContact O-N 3.4Å; L3-V6 PolarHBondContact O-N 3.31Å; H4-V6 VanDerWaalsContact C-N 3.33Å; H4-V6 PolarHBondContact O-N 2.73Å; V6-L8 VanDerWaalsContact C-N 3.3Å; V6-L8 PolarHBondContact O-N 3.34Å; V6-A9 PolarHBondContact O-N 2.93Å; V6-V10 HydrophobicContact CG1-CG2 4.48Å; V6-V10 WeakPolarHBondContact O-CG2 3.34Å; V6-V10 PolarHBondContact O-N 2.86Å |
| 7 | T | 66 | Low | 59.7 | Low | 76 Ų | 76 | 112.7 Ų | 112.7 | 47% | 0.466 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.2 | -36.8 | 176.7 | 50.2 | 0 | 0 | 0 | 0 | 112.7 | L3 H4 Y11 | L3-T7 PolarHBondContact O-N 2.95Å; L3-T7 PolarHBondContact O-OG1 3.36Å; H4-T7 WeakPolarHBondContact CA-OG1 3.33Å; H4-T7 PolarHBondContact O-N 3.37Å; H4-T7 PolarHBondContact O-OG1 3.31Å; T7-Y11 PolarHBondContact O-N 3.48Å |
| 8 | L | 65.5 | Low | 59.2 | Low | 117 Ų | 117 | 111.6 Ų | 111.6 | 61% | 0.613 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.5 | -42.2 | 177.9 | -159.7 | 78.1 | 0 | 0 | 0 | 111.5 | H4 V6 Y11 L12 | H4-L8 WeakPolarHBondContact O-CB 3.39Å; H4-L8 PolarHBondContact O-N 3.01Å; V6-L8 VanDerWaalsContact C-N 3.3Å; V6-L8 PolarHBondContact O-N 3.34Å; L8-Y11 PolarHBondContact O-N 3.34Å; L8-L12 HydrophobicContact CG-CD1 4.44Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 2.95Å |
| 9 | A | 65.8 | Low | 58.7 | Low | 47 Ų | 47 | 110.5 Ų | 110.5 | 39% | 0.388 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -62.3 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | S5 V6 L12 L13 | S5-A9 WeakPolarHBondContact O-CB 3.38Å; S5-A9 PolarHBondContact O-N 3.49Å; V6-A9 PolarHBondContact O-N 2.93Å; A9-L12 PolarHBondContact O-N 2.98Å; A9-L13 WeakPolarHBondContact O-CB 3.3Å; A9-L13 VanDerWaalsContact O-CG 3.3Å; A9-L13 WeakPolarHBondContact O-CG 3.47Å; A9-L13 PolarHBondContact O-N 3.46Å |
| 10 | V | 66.6 | Low | 58.1 | Low | 72 Ų | 72 | 113.2 Ų | 113.2 | 44% | 0.436 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -63.4 | -41.4 | 174.4 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | V6 L12 L13 L14 | V6-V10 HydrophobicContact CG1-CG2 4.48Å; V6-V10 WeakPolarHBondContact O-CG2 3.34Å; V6-V10 PolarHBondContact O-N 2.86Å; V10-L12 PolarHBondContact O-N 3.27Å; V10-L13 PolarHBondContact O-N 3.37Å; V10-L14 HydrophobicContact CG1-CD1 3.83Å; V10-L14 HydrophobicContact CG1-CG 4.35Å; V10-L14 WeakPolarHBondContact O-CB 3.38Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.44Å; V10-L14 PolarHBondContact O-N 3.38Å |
| 11 | Y | 59.4 | Low | 57.4 | Low | 182 Ų | 182 | 119.2 Ų | 119.2 | 71% | 0.714 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -62.2 | -41.7 | 175.5 | -122.3 | -85.8 | 0 | 0 | 0 | 112.6 | T7 L8 L14 A15 | T7-Y11 PolarHBondContact O-N 3.48Å; L8-Y11 PolarHBondContact O-N 3.34Å; Y11-L14 PolarHBondContact O-N 3.42Å; Y11-A15 WeakPolarHBondContact O-CB 3.33Å; Y11-A15 PolarHBondContact O-N 3.18Å |
| 12 | L | 58.3 | Low | 57.1 | Low | 120 Ų | 120 | 114.7 Ų | 114.7 | 63% | 0.628 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.4 | -37.7 | 177.6 | -71.2 | 167.2 | 0 | 0 | 0 | 112.3 | L8 A9 V10 A15 S16 | L8-L12 HydrophobicContact CG-CD1 4.44Å; L8-L12 WeakPolarHBondContact O-CG 3.3Å; L8-L12 PolarHBondContact O-N 2.95Å; A9-L12 PolarHBondContact O-N 2.98Å; V10-L12 PolarHBondContact O-N 3.27Å; L12-A15 PolarHBondContact O-N 3.45Å; L12-S16 PolarHBondContact O-N 2.93Å |
| 13 | L | 57.4 | Low | 57.3 | Low | 123 Ų | 123 | 113.7 Ų | 113.7 | 64% | 0.644 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.1 | -43.9 | 173.8 | -72.2 | 166.8 | 0 | 0 | 0 | 111.5 | A9 V10 A15 S16 | A9-L13 WeakPolarHBondContact O-CB 3.3Å; A9-L13 VanDerWaalsContact O-CG 3.3Å; A9-L13 WeakPolarHBondContact O-CG 3.47Å; A9-L13 PolarHBondContact O-N 3.46Å; V10-L13 PolarHBondContact O-N 3.37Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 2.94Å; L13-S16 PolarHBondContact O-N 2.92Å; L13-S16 PolarHBondContact O-OG 3.44Å |
| 14 | L | 56.1 | Low | 58.2 | Low | 121 Ų | 121 | 112.6 Ų | 112.6 | 63% | 0.634 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68 | -28.9 | 176.1 | -69.1 | 172.5 | 0 | 0 | 0 | 113 | V10 Y11 S16 | V10-L14 HydrophobicContact CG1-CD1 3.83Å; V10-L14 HydrophobicContact CG1-CG 4.35Å; V10-L14 WeakPolarHBondContact O-CB 3.38Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.44Å; V10-L14 PolarHBondContact O-N 3.38Å; Y11-L14 PolarHBondContact O-N 3.42Å; L14-S16 PolarHBondContact O-N 2.68Å |
| 15 | A | 53.7 | Low | 59.6 | Low | 65 Ų | 65 | 109 Ų | 109 | 54% | 0.537 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.5 | -18.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y11 L12 L13 | Y11-A15 WeakPolarHBondContact O-CB 3.33Å; Y11-A15 PolarHBondContact O-N 3.18Å; L12-A15 PolarHBondContact O-N 3.45Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 2.94Å |
| 16 | S | 53.6 | Low | 61.2 | Low | 94 Ų | 94 | 106.8 Ų | 106.8 | 66% | 0.657 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -7.8 | -174.6 | 73.2 | 0 | 0 | 0 | 0 | 115.2 | L12 L13 L14 | L12-S16 PolarHBondContact O-N 2.93Å; L13-S16 PolarHBondContact O-N 2.92Å; L13-S16 PolarHBondContact O-OG 3.44Å; L14-S16 PolarHBondContact O-N 2.68Å |
| 17 | S | 51.8 | Low | 62.5 | Low | 92 Ų | 92 | 106.7 Ų | 106.7 | 64% | 0.643 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 16.5 | -174.6 | 72.4 | 0 | 0 | 0 | 0 | 115.2 | A19 | S17-A19 PolarHBondContact O-N 2.9Š|
| 18 | S | 50.9 | Low | 63.9 | Low | 93 Ų | 93 | 108.4 Ų | 108.4 | 65% | 0.65 | 60% | 0.604 | S | S | * | * | trans | -75.1 | 74.2 | 167.4 | 64.3 | 0 | 0 | 0 | 0 | 110.4 | Q20 | S18-Q20 VanDerWaalsContact C-N 3.25Å; S18-Q20 PolarHBondContact O-N 2.91Å | ||
| 19 | A | 50.2 | Low | 65.4 | Low | 91 Ų | 91 | 105.3 Ų | 105.3 | 75% | 0.752 | 59% | 0.592 | S | S | * | * | trans | -63.6 | 91 | 167 | 0 | 0 | 0 | 0 | 0 | 108.6 | S17 R21 | S17-A19 PolarHBondContact O-N 2.9Å; A19-R21 PolarHBondContact O-N 2.82Å | ||
| 20 | Q | 47.2 | Very low | 66.7 | Low | 163 Ų | 163 | 111.3 Ų | 111.3 | 76% | 0.762 | 61% | 0.612 | S | S | * | * | trans | -54.3 | 103.9 | 179.8 | -167.3 | 91 | -17.5 | 0 | 0 | 108.2 | S18 T22 | S18-Q20 VanDerWaalsContact C-N 3.25Å; S18-Q20 PolarHBondContact O-N 2.91Å; Q20-T22 PolarHBondContact O-N 2.81Å | ||
| 21 | R | 42.9 | Very low | 67.9 | Low | 241 Ų | 241 | 109.5 Ų | 109.5 | 91% | 0.909 | 60% | 0.6 | S | S | * | * | trans | -67.5 | 90.4 | 171.6 | -74.2 | -170.9 | -178.3 | -177 | 1.7 | 107.5 | A19 V23 | A19-R21 PolarHBondContact O-N 2.82Å; R21-V23 PolarHBondContact O-N 3.19Å | ||
| 22 | T | 54.9 | Low | 69.1 | Low | 115 Ų | 115 | 110 Ų | 110 | 71% | 0.706 | 61% | 0.608 | S | S | * | * | trans | -56.1 | 121.3 | 170.7 | 41.3 | 0 | 0 | 0 | 0 | 107.7 | Q20 Q24 | Q20-T22 PolarHBondContact O-N 2.81Å; T22-Q24 VanDerWaalsContact C-N 3.32Å; T22-Q24 PolarHBondContact O-N 3.04Å | ||
| 23 | V | 60 | Low | 70.1 | Confident | 129 Ų | 129 | 111 Ų | 111 | 78% | 0.782 | 62% | 0.622 | S | S | * | * | trans | -69.5 | 97.5 | 176.4 | 179.5 | 0 | 0 | 0 | 0 | 106.6 | R21 S25 | R21-V23 PolarHBondContact O-N 3.19Å; V23-S25 PolarHBondContact O-N 2.89Å | ||
| 24 | Q | 75.4 | Confident | 71.5 | Confident | 118 Ų | 118 | 109.8 Ų | 109.8 | 55% | 0.551 | 62% | 0.624 | S | S | * | * | trans | -62.2 | 110.2 | -179.8 | -105.9 | -170.7 | -43.4 | 0 | 0 | 108.8 | T22 S42 L43 | T22-Q24 VanDerWaalsContact C-N 3.32Å; T22-Q24 PolarHBondContact O-N 3.04Å; Q24-S42 PolarHBondContact NE2-O 3.1Å; Q24-S42 VanDerWaalsContact NE2-O 3.1Å; Q24-L43 HydrophobicContact CB-CD2 3.81Å; Q24-L43 HydrophobicContact CG-CD2 3.69Å | ||
| 25 | S | 88 | Confident | 73.1 | Confident | 73 Ų | 73 | 104.9 Ų | 104.9 | 51% | 0.51 | 60% | 0.603 | S | S | . | * | trans | -141.8 | 158 | -175.7 | -72.4 | 0 | 0 | 0 | 0 | 108.5 | V23 V27 | V23-S25 PolarHBondContact O-N 2.89Å; S25-V27 PolarHBondContact O-N 3.45Å | ||
| 26 | C | 94.4 | Very high | 75.1 | Confident | 22 Ų | 22 | 103.1 Ų | 103.1 | 15% | 0.149 | 58% | 0.584 | C | S | . | * | P | Polyproline II helix | trans | -62.4 | 137.3 | 179.6 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | F28 V38 N39 C40 | C26-F28 HydrophobicContact CB-CE2 4.01Å; C26-F28 HydrophobicContact CB-CZ 4.14Å; C26-F28 VanDerWaalsContact O-CD2 3.27Å; C26-F28 WeakPolarHBondContact O-CD2 3.27Å; C26-F28 VanDerWaalsContact O-CE2 3.26Å; C26-F28 WeakPolarHBondContact O-CE2 3.18Å; C26-V38 HydrophobicContact CB-CG1 4.16Å; C26-N39 CarbonylContact C-O 3.46Å; C26-N39 WeakPolarHBondContact CA-O 3.26Å; C26-C40 HydrophobicContact CB-CB 4.1Å; C26-C40 WeakPolarHBondContact CB-SG 3.46Å; C26-C40 WeakPolarHBondContact SG-CB 3.47Å; C26-C40 CovalentContact SG-SG 2.04Å; C26-C40 PolarHBondContact SG-SG 3.35Å |
| 27 | V | 95.1 | Very high | 77.1 | Confident | 86 Ų | 86 | 103 Ų | 103 | 52% | 0.521 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.5 | 126.1 | 173.5 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | S25 N39 | S25-V27 PolarHBondContact O-N 3.45Å; V27-N39 HydrophobicContact CB-CB 4.44Å; V27-N39 PolarHBondContact N-O 2.78Å; V27-N39 PolarHBondContact O-N 2.77Å |
| 28 | F | 95.1 | Very high | 79.3 | Confident | 112 Ų | 112 | 98.6 Ų | 98.6 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 139.6 | 177.6 | -62.9 | -91.2 | 0 | 0 | 0 | 109.1 | C26 L36 R37 V38 P52 | C26-F28 HydrophobicContact CB-CE2 4.01Å; C26-F28 HydrophobicContact CB-CZ 4.14Å; C26-F28 VanDerWaalsContact O-CD2 3.27Å; C26-F28 WeakPolarHBondContact O-CD2 3.27Å; C26-F28 VanDerWaalsContact O-CE2 3.26Å; C26-F28 WeakPolarHBondContact O-CE2 3.18Å; F28-L36 HydrophobicContact CB-CD1 4.34Å; F28-L36 HydrophobicContact CD1-CD2 4.14Å; F28-R37 WeakPolarHBondContact CA-O 3.49Å; F28-V38 HydrophobicContact CD1-CG1 4.25Å; F28-V38 HydrophobicContact CD1-CG2 3.81Å; F28-V38 HydrophobicContact CE1-CB 4.49Å; F28-V38 HydrophobicContact CE1-CG1 3.84Å; F28-V38 HydrophobicContact CE1-CG2 3.87Å; F28-V38 HydrophobicContact CZ-CG1 4.34Å; F28-P52 HydrophobicContact CE1-CG 4.22Å |
| 29 | S | 95.4 | Very high | 81.4 | Confident | 52 Ų | 52 | 97.4 Ų | 97.4 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 128.4 | 179.2 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | R37 | S29-R37 PolarHBondContact N-O 2.89Å; S29-R37 WeakPolarHBondContact O-CB 3.04Å; S29-R37 PolarHBondContact O-N 2.04Å |
| 30 | E | 95.1 | Very high | 83.7 | Confident | 174 Ų | 174 | 93 Ų | 93 | 81% | 0.813 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 142.6 | 179.2 | -169.2 | 170.9 | -162.7 | 0 | 0 | 111.3 | ||
| 31 | L | 90.6 | Very high | 86 | Confident | 34 Ų | 34 | 86.2 Ų | 86.2 | 18% | 0.178 | 46% | 0.459 | C | S | . | . | trans | -113.5 | 127 | 178.4 | -73.6 | 164.9 | 0 | 0 | 0 | 109.8 | S34 G35 R37 T56 E57 | L31-S34 CarbonylContact O-C 3.56Å; L31-S34 WeakPolarHBondContact O-CA 3.35Å; L31-S34 PolarHBondContact O-N 2.86Å; L31-S34 VanDerWaalsContact O-N 3.08Å; L31-G35 PolarHBondContact N-O 3.23Å; L31-G35 PolarHBondContact O-N 2.84Å; L31-R37 HydrophobicContact CD1-CB 3.95Å; L31-R37 HydrophobicContact CG-CB 4.23Å; L31-T56 VanDerWaalsContact CD1-OG1 3.29Å; L31-T56 WeakPolarHBondContact CD1-OG1 3.25Å; L31-E57 HydrophobicContact CD1-CB 4.43Å; L31-E57 HydrophobicContact CD1-CG 3.86Å | ||
| 32 | Q | 85.4 | Confident | 88.5 | Confident | 191 Ų | 191 | 77.6 Ų | 77.6 | 89% | 0.893 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -83.9 | 140.7 | 173.8 | -65.7 | 178.9 | -8.5 | 0 | 0 | 110.1 | ||
| 33 | P | 79 | Confident | 90.4 | Very high | 141 Ų | 141 | 73.6 Ų | 73.6 | 92% | 0.916 | 41% | 0.41 | S | S | * | . | S | Bend | cis | -80.5 | -18.9 | 2.6 | 33.1 | -36.3 | 0 | 0 | 0 | 114.5 | ||
| 34 | S | 85.8 | Confident | 92.1 | Very high | 99 Ų | 99 | 71.2 Ų | 71.2 | 69% | 0.692 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -160.8 | 147.2 | 169.3 | 57.7 | 0 | 0 | 0 | 0 | 112.4 | L31 | L31-S34 CarbonylContact O-C 3.56Å; L31-S34 WeakPolarHBondContact O-CA 3.35Å; L31-S34 PolarHBondContact O-N 2.86Å; L31-S34 VanDerWaalsContact O-N 3.08Å |
| 35 | G | 89.8 | Confident | 93.1 | Very high | 18 Ų | 18 | 67.6 Ų | 67.6 | 19% | 0.186 | 38% | 0.377 | C | S | . | . | trans | 138.1 | 165.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L31 | L31-G35 PolarHBondContact N-O 3.23Å; L31-G35 PolarHBondContact O-N 2.84Å | ||
| 36 | L | 95.7 | Very high | 93.4 | Very high | 27 Ų | 27 | 70.9 Ų | 70.9 | 14% | 0.141 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 123.2 | 179 | -175.8 | 68.2 | 0 | 0 | 0 | 111 | F28 V38 P52 E54 T55 T56 E57 | F28-L36 HydrophobicContact CB-CD1 4.34Å; F28-L36 HydrophobicContact CD1-CD2 4.14Å; L36-V38 HydrophobicContact CD2-CG2 3.94Å; L36-V38 HydrophobicContact CG-CG2 3.96Å; L36-P52 HydrophobicContact CD2-CB 3.89Å; L36-P52 HydrophobicContact CD2-CG 3.77Å; L36-E54 HydrophobicContact CB-CG 4.01Å; L36-E54 HydrophobicContact CD2-CG 4.02Å; L36-E54 PolarHBondContact N-O 2.88Å; L36-E54 VanDerWaalsContact N-O 3.1Å; L36-T55 CarbonylContact O-C 3.44Å; L36-T55 WeakPolarHBondContact O-CA 3.48Å; L36-T56 PolarHBondContact N-OG1 3.44Å; L36-T56 PolarHBondContact O-N 2.96Å; L36-T56 PolarHBondContact O-OG1 3.12Å; L36-E57 PolarHBondContact O-N 3.15Å |
| 37 | R | 96.7 | Very high | 93.4 | Very high | 92 Ų | 92 | 75 Ų | 75 | 35% | 0.347 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.7 | 165 | 176.8 | 176.9 | -69.6 | 146 | 2.3 | 108.9 | F28 S29 L31 E57 F59 | F28-R37 WeakPolarHBondContact CA-O 3.49Å; S29-R37 PolarHBondContact N-O 2.89Å; S29-R37 WeakPolarHBondContact O-CB 3.04Å; S29-R37 PolarHBondContact O-N 2.04Å; L31-R37 HydrophobicContact CD1-CB 3.95Å; L31-R37 HydrophobicContact CG-CB 4.23Å; R37-E57 CarbonylContact C-O 3.5Å; R37-E57 WeakPolarHBondContact CA-O 3.37Å; R37-E57 HydrophobicContact CB-CB 4.26Å; R37-E57 HydrophobicContact CG-CB 4.23Å; R37-E57 IonicContact CZ-OE1 3.85Å; R37-E57 IonicContact CZ-OE2 3.18Å; R37-E57 IonicContact NE-OE1 3.98Å; R37-E57 IonicContact NE-OE2 2.73Å; R37-E57 PolarHBondContact NE-OE2 3Å; R37-E57 IonicContact NH2-OE1 3.25Å; R37-E57 PolarHBondContact NH2-OE1 2.89Å; R37-E57 IonicContact NH2-OE2 2.63Å; R37-E57 PolarHBondContact NH2-OE2 3.14Å; R37-F59 HydrophobicContact CG-CD2 4.16Å; R37-F59 HydrophobicContact CG-CE2 3.92Å |
| 38 | V | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 114.6 | 174.6 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | C26 F28 L36 L51 T55 E57 L58 F59 | C26-V38 HydrophobicContact CB-CG1 4.16Å; F28-V38 HydrophobicContact CD1-CG1 4.25Å; F28-V38 HydrophobicContact CD1-CG2 3.81Å; F28-V38 HydrophobicContact CE1-CB 4.49Å; F28-V38 HydrophobicContact CE1-CG1 3.84Å; F28-V38 HydrophobicContact CE1-CG2 3.87Å; F28-V38 HydrophobicContact CZ-CG1 4.34Å; L36-V38 HydrophobicContact CD2-CG2 3.94Å; L36-V38 HydrophobicContact CG-CG2 3.96Å; V38-L51 HydrophobicContact CG1-CD2 3.96Å; V38-T55 HydrophobicContact CB-CG2 4.21Å; V38-T55 HydrophobicContact CG2-CG2 3.81Å; V38-E57 PolarHBondContact N-O 3.46Å; V38-L58 HydrophobicContact CB-CD1 4.11Å; V38-L58 HydrophobicContact CG1-CD1 4.24Å; V38-L58 WeakPolarHBondContact O-CA 3.06Å; V38-F59 PolarHBondContact O-N 2.85Å |
| 39 | N | 96.9 | Very high | 93.2 | Very high | 67 Ų | 67 | 68 Ų | 68 | 36% | 0.358 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 110.7 | 177.7 | -178.2 | -14.2 | 0 | 0 | 0 | 110.3 | C26 V27 S41 F59 | C26-N39 CarbonylContact C-O 3.46Å; C26-N39 WeakPolarHBondContact CA-O 3.26Å; V27-N39 HydrophobicContact CB-CB 4.44Å; V27-N39 PolarHBondContact N-O 2.78Å; V27-N39 PolarHBondContact O-N 2.77Å; N39-S41 WeakPolarHBondContact OD1-CB 3.4Å; N39-S41 PolarHBondContact OD1-N 2.83Å; N39-S41 PolarHBondContact OD1-OG 2.73Å; N39-S41 VanDerWaalsContact OD1-OG 3.08Å; N39-F59 HydrophobicContact CB-CB 4.39Å |
| 40 | C | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.392 | C | S | . | . | trans | -116.5 | 20.3 | 177.3 | -59.8 | 0 | 0 | 0 | 0 | 112 | C26 L43 L45 F59 V60 N63 | C26-C40 HydrophobicContact CB-CB 4.1Å; C26-C40 WeakPolarHBondContact CB-SG 3.46Å; C26-C40 WeakPolarHBondContact SG-CB 3.47Å; C26-C40 CovalentContact SG-SG 2.04Å; C26-C40 PolarHBondContact SG-SG 3.35Å; C40-L43 HydrophobicContact CB-CD1 4.11Å; C40-L43 WeakPolarHBondContact O-CG 3.39Å; C40-L45 HydrophobicContact CB-CD1 3.78Å; C40-F59 CarbonylContact C-O 3.54Å; C40-F59 WeakPolarHBondContact CA-O 3.45Å; C40-F59 PolarHBondContact N-O 2.85Å; C40-V60 HydrophobicContact CB-CG1 3.98Å; C40-N63 PolarHBondContact O-ND2 2.79Å | ||
| 41 | S | 96.3 | Very high | 93 | Very high | 19 Ų | 19 | 67 Ų | 67 | 13% | 0.133 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 148.3 | -173.5 | -47.6 | 0 | 0 | 0 | 0 | 112.7 | N39 L43 F59 Q61 | N39-S41 WeakPolarHBondContact OD1-CB 3.4Å; N39-S41 PolarHBondContact OD1-N 2.83Å; N39-S41 PolarHBondContact OD1-OG 2.73Å; N39-S41 VanDerWaalsContact OD1-OG 3.08Å; S41-L43 WeakPolarHBondContact O-CG 3.15Å; S41-L43 PolarHBondContact O-N 3.05Å; S41-L43 VanDerWaalsContact O-N 3.15Å; S41-F59 PolarHBondContact N-O 2.81Å; S41-F59 WeakPolarHBondContact OG-CB 3.23Å; S41-Q61 VanDerWaalsContact CA-O 3.25Å; S41-Q61 WeakPolarHBondContact CA-O 3.49Å; S41-Q61 PolarHBondContact OG-NE2 2.91Å; S41-Q61 PolarHBondContact OG-OE1 2.66Å |
| 42 | S | 95.9 | Very high | 93.2 | Very high | 61 Ų | 61 | 67.1 Ų | 67.1 | 43% | 0.427 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 23.4 | 176.8 | -53.2 | 0 | 0 | 0 | 0 | 115.5 | Q24 Q61 D62 | Q24-S42 PolarHBondContact NE2-O 3.1Å; Q24-S42 VanDerWaalsContact NE2-O 3.1Å; S42-Q61 PolarHBondContact N-O 2.94Å; S42-Q61 VanDerWaalsContact N-O 3.14Å; S42-D62 WeakPolarHBondContact CA-O 3.28Å; S42-D62 VanDerWaalsContact OG-CB 3.31Å; S42-D62 WeakPolarHBondContact OG-CB 3.37Å |
| 43 | L | 95.4 | Very high | 93.6 | Very high | 30 Ų | 30 | 61.5 Ų | 61.5 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -93.8 | 5.9 | -178.7 | -59.6 | -171.9 | 0 | 0 | 0 | 113.5 | Q24 C40 S41 L45 N63 | Q24-L43 HydrophobicContact CB-CD2 3.81Å; Q24-L43 HydrophobicContact CG-CD2 3.69Å; C40-L43 HydrophobicContact CB-CD1 4.11Å; C40-L43 WeakPolarHBondContact O-CG 3.39Å; S41-L43 WeakPolarHBondContact O-CG 3.15Å; S41-L43 PolarHBondContact O-N 3.05Å; S41-L43 VanDerWaalsContact O-N 3.15Å; L43-L45 HydrophobicContact CB-CD1 4.19Å; L43-L45 HydrophobicContact CB-CG 3.91Å; L43-L45 HydrophobicContact CD1-CD1 4.41Å; L43-L45 PolarHBondContact O-N 3.1Å; L43-N63 PolarHBondContact N-OD1 3.18Å; L43-N63 VanDerWaalsContact N-OD1 3.12Å |
| 44 | N | 95.1 | Very high | 94.3 | Very high | 80 Ų | 80 | 59.3 Ų | 59.3 | 43% | 0.428 | 32% | 0.323 | S | S | . | . | trans | 57.8 | 23.2 | -176.2 | -71.3 | -97.5 | 0 | 0 | 0 | 114.9 | M46 N63 R64 | N44-M46 PolarHBondContact O-N 3.36Å; N44-N63 PolarHBondContact N-OD1 3.25Å; N44-R64 VanDerWaalsContact OD1-CZ 3.29Å; N44-R64 PolarHBondContact OD1-NE 2.86Å; N44-R64 PolarHBondContact OD1-NH2 3.22Å | ||
| 45 | L | 95.3 | Very high | 94.7 | Very high | 42 Ų | 42 | 54.6 Ų | 54.6 | 22% | 0.22 | 29% | 0.29 | C | S | . | . | trans | -61.3 | 130.1 | -176.4 | -67.3 | 168.7 | 0 | 0 | 0 | 112.3 | C40 L43 N63 R64 L65 | C40-L45 HydrophobicContact CB-CD1 3.78Å; L43-L45 HydrophobicContact CB-CD1 4.19Å; L43-L45 HydrophobicContact CB-CG 3.91Å; L43-L45 HydrophobicContact CD1-CD1 4.41Å; L43-L45 PolarHBondContact O-N 3.1Å; L45-N63 HydrophobicContact CB-CB 4.2Å; L45-N63 PolarHBondContact N-OD1 2.85Å; L45-R64 CarbonylContact O-C 3.59Å; L45-R64 VanDerWaalsContact O-CA 3.27Å; L45-R64 WeakPolarHBondContact O-CA 3.48Å; L45-R64 WeakPolarHBondContact O-CB 3.49Å; L45-R64 PolarHBondContact O-N 3.14Å; L45-L65 HydrophobicContact CB-CD2 4.35Å; L45-L65 PolarHBondContact O-N 3.29Å | ||
| 46 | M | 95.5 | Very high | 95.1 | Very high | 142 Ų | 142 | 54.4 Ų | 54.4 | 70% | 0.7 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -94.6 | -20.8 | 172.9 | -62.6 | 179.8 | -175.4 | 0 | 0 | 112.7 | N44 R64 | N44-M46 PolarHBondContact O-N 3.36Å; M46-R64 HydrophobicContact CG-CB 4.01Å |
| 47 | E | 94.2 | Very high | 95.1 | Very high | 109 Ų | 109 | 54.9 Ų | 54.9 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -134.2 | 152.3 | 171.3 | -157.3 | -158 | 140.5 | 0 | 0 | 109.3 | P69 K72 | E47-P69 HydrophobicContact CG-CG 4.29Å; E47-K72 WeakPolarHBondContact OE1-CE 3.36Å; E47-K72 IonicContact OE1-NZ 3.32Å; E47-K72 PolarHBondContact OE1-NZ 3.08Å |
| 48 | L | 93.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | trans | -70.3 | 132.2 | 171.2 | -71.2 | 175.5 | 0 | 0 | 0 | 111.1 | V60 L65 V68 K72 F73 | L48-V60 HydrophobicContact CD2-CB 3.91Å; L48-V60 HydrophobicContact CD2-CG1 3.55Å; L48-V60 HydrophobicContact CD2-CG2 4.17Å; L48-L65 HydrophobicContact CD2-CD1 3.62Å; L48-L65 HydrophobicContact CD2-CD2 4.36Å; L48-L65 HydrophobicContact CG-CD1 4.03Å; L48-L65 HydrophobicContact CG-CD2 4.28Å; L48-V68 HydrophobicContact CD1-CG1 3.92Å; L48-V68 HydrophobicContact CD1-CG2 3.86Å; L48-K72 HydrophobicContact CB-CD 4.48Å; L48-K72 PolarHBondContact O-NZ 2.81Å; L48-F73 HydrophobicContact CD1-CE1 3.51Å; L48-F73 HydrophobicContact CD1-CZ 3.66Å | ||
| 49 | P | 92.7 | Very high | 95.2 | Very high | 46 Ų | 46 | 52.1 Ų | 52.1 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | trans | -66.1 | 179.4 | 174.7 | 30 | -36 | 0 | 0 | 0 | 111.9 | L51 | P49-L51 HydrophobicContact CG-CD2 4.27Å; P49-L51 PolarHBondContact O-N 3.36Å | ||
| 50 | H | 92.1 | Very high | 95.3 | Very high | 178 Ų | 178 | 49 Ų | 49 | 82% | 0.824 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 121 | 167.8 | -65.8 | 127.8 | 0 | 0 | 0 | 110 | ||
| 51 | L | 94.1 | Very high | 95.3 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 15% | 0.152 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -103.5 | 133.7 | -178.5 | -62.1 | 174.3 | 0 | 0 | 0 | 109.9 | V38 P49 L58 L76 | V38-L51 HydrophobicContact CG1-CD2 3.96Å; P49-L51 HydrophobicContact CG-CD2 4.27Å; P49-L51 PolarHBondContact O-N 3.36Å; L51-L58 HydrophobicContact CD1-CD1 3.76Å; L51-L58 HydrophobicContact CD1-CD2 3.6Å; L51-L58 HydrophobicContact CD1-CG 4.34Å; L51-L58 HydrophobicContact CD2-CD1 3.69Å; L51-L58 HydrophobicContact CG-CD1 4.38Å; L51-L76 HydrophobicContact CB-CD1 4.19Å; L51-L76 HydrophobicContact CB-CD2 4.06Å; L51-L76 HydrophobicContact CD1-CD1 3.84Å |
| 52 | P | 93.6 | Very high | 95.3 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 23% | 0.234 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 145.8 | 177.4 | -19.8 | 33.1 | 0 | 0 | 0 | 112.9 | F28 L36 E54 T55 L76 | F28-P52 HydrophobicContact CE1-CG 4.22Å; L36-P52 HydrophobicContact CD2-CB 3.89Å; L36-P52 HydrophobicContact CD2-CG 3.77Å; P52-E54 HydrophobicContact CB-CG 4.24Å; P52-E54 WeakPolarHBondContact CB-OE1 3.11Å; P52-E54 WeakPolarHBondContact CB-OE2 3.31Å; P52-E54 PolarHBondContact O-N 3.28Å; P52-T55 VanDerWaalsContact O-CB 3.28Å; P52-T55 WeakPolarHBondContact O-CB 3.49Å; P52-T55 PolarHBondContact O-N 3.15Å; P52-T55 PolarHBondContact O-OG1 2.87Å; P52-L76 VanDerWaalsContact O-CD2 3.23Å; P52-L76 WeakPolarHBondContact O-CD2 3.27Å |
| 53 | S | 93.9 | Very high | 95.4 | Very high | 73 Ų | 73 | 51.4 Ų | 51.4 | 51% | 0.51 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.7 | -177.3 | 35.1 | 0 | 0 | 0 | 0 | 115.4 | T55 | S53-T55 VanDerWaalsContact C-N 3.29Š|
| 54 | E | 93.6 | Very high | 95.5 | Very high | 95 Ų | 95 | 56.2 Ų | 56.2 | 44% | 0.444 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 2 | 179.6 | 64 | -84 | -164.9 | 0 | 0 | 113.2 | L36 P52 T56 | L36-E54 HydrophobicContact CB-CG 4.01Å; L36-E54 HydrophobicContact CD2-CG 4.02Å; L36-E54 PolarHBondContact N-O 2.88Å; L36-E54 VanDerWaalsContact N-O 3.1Å; P52-E54 HydrophobicContact CB-CG 4.24Å; P52-E54 WeakPolarHBondContact CB-OE1 3.11Å; P52-E54 WeakPolarHBondContact CB-OE2 3.31Å; P52-E54 PolarHBondContact O-N 3.28Å; E54-T56 PolarHBondContact O-N 2.83Å; E54-T56 VanDerWaalsContact O-N 3.14Å |
| 55 | T | 96 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 115.1 | 174.2 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | L36 V38 P52 S53 E57 L58 L79 | L36-T55 CarbonylContact O-C 3.44Å; L36-T55 WeakPolarHBondContact O-CA 3.48Å; V38-T55 HydrophobicContact CB-CG2 4.21Å; V38-T55 HydrophobicContact CG2-CG2 3.81Å; P52-T55 VanDerWaalsContact O-CB 3.28Å; P52-T55 WeakPolarHBondContact O-CB 3.49Å; P52-T55 PolarHBondContact O-N 3.15Å; P52-T55 PolarHBondContact O-OG1 2.87Å; S53-T55 VanDerWaalsContact C-N 3.29Å; T55-E57 WeakPolarHBondContact CG2-O 3.42Å; T55-L58 HydrophobicContact CG2-CB 4.16Å; T55-L79 HydrophobicContact CG2-CD1 3.97Å |
| 56 | T | 96.6 | Very high | 95.8 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 9% | 0.086 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | -27.7 | 175.3 | 50.5 | 0 | 0 | 0 | 0 | 112.1 | L31 L36 E54 N78 R80 K81 | L31-T56 VanDerWaalsContact CD1-OG1 3.29Å; L31-T56 WeakPolarHBondContact CD1-OG1 3.25Å; L36-T56 PolarHBondContact N-OG1 3.44Å; L36-T56 PolarHBondContact O-N 2.96Å; L36-T56 PolarHBondContact O-OG1 3.12Å; E54-T56 PolarHBondContact O-N 2.83Å; E54-T56 VanDerWaalsContact O-N 3.14Å; T56-N78 WeakPolarHBondContact CA-O 3.2Å; T56-N78 HydrophobicContact CG2-CB 4.04Å; T56-N78 WeakPolarHBondContact CG2-O 3.36Å; T56-R80 PolarHBondContact O-N 3.31Å; T56-K81 PolarHBondContact O-N 3.48Å; T56-K81 VanDerWaalsContact O-N 3.14Å |
| 57 | E | 97.3 | Very high | 95.8 | Very high | 37 Ų | 37 | 48.3 Ų | 48.3 | 17% | 0.173 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 128.5 | 174.3 | -60.4 | -174.3 | -157.6 | 0 | 0 | 111 | L31 L36 R37 V38 T55 F59 K81 | L31-E57 HydrophobicContact CD1-CB 4.43Å; L31-E57 HydrophobicContact CD1-CG 3.86Å; L36-E57 PolarHBondContact O-N 3.15Å; R37-E57 CarbonylContact C-O 3.5Å; R37-E57 WeakPolarHBondContact CA-O 3.37Å; R37-E57 HydrophobicContact CB-CB 4.26Å; R37-E57 HydrophobicContact CG-CB 4.23Å; R37-E57 IonicContact CZ-OE1 3.85Å; R37-E57 IonicContact CZ-OE2 3.18Å; R37-E57 IonicContact NE-OE1 3.98Å; R37-E57 IonicContact NE-OE2 2.73Å; R37-E57 PolarHBondContact NE-OE2 3Å; R37-E57 IonicContact NH2-OE1 3.25Å; R37-E57 PolarHBondContact NH2-OE1 2.89Å; R37-E57 IonicContact NH2-OE2 2.63Å; R37-E57 PolarHBondContact NH2-OE2 3.14Å; V38-E57 PolarHBondContact N-O 3.46Å; T55-E57 WeakPolarHBondContact CG2-O 3.42Å; E57-F59 HydrophobicContact CB-CE2 3.88Å; E57-F59 WeakPolarHBondContact OE2-CE2 3.2Å; E57-K81 CarbonylContact C-O 3.54Å; E57-K81 WeakPolarHBondContact CA-O 3.45Å; E57-K81 HydrophobicContact CB-CB 4.42Å; E57-K81 HydrophobicContact CG-CB 4.08Å |
| 58 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 120.4 | -179 | -179.6 | 67.1 | 0 | 0 | 0 | 111.2 | V38 L51 T55 V60 F73 L79 K81 V82 S83 | V38-L58 HydrophobicContact CB-CD1 4.11Å; V38-L58 HydrophobicContact CG1-CD1 4.24Å; V38-L58 WeakPolarHBondContact O-CA 3.06Å; L51-L58 HydrophobicContact CD1-CD1 3.76Å; L51-L58 HydrophobicContact CD1-CD2 3.6Å; L51-L58 HydrophobicContact CD1-CG 4.34Å; L51-L58 HydrophobicContact CD2-CD1 3.69Å; L51-L58 HydrophobicContact CG-CD1 4.38Å; T55-L58 HydrophobicContact CG2-CB 4.16Å; L58-V60 HydrophobicContact CD1-CG1 3.66Å; L58-V60 HydrophobicContact CD2-CG1 4.22Å; L58-V60 HydrophobicContact CD2-CG2 4.44Å; L58-V60 HydrophobicContact CG-CG1 3.79Å; L58-V60 HydrophobicContact CG-CG2 4.37Å; L58-F73 HydrophobicContact CD2-CD1 4.38Å; L58-F73 HydrophobicContact CD2-CE1 3.71Å; L58-F73 HydrophobicContact CD2-CZ 4.48Å; L58-L79 HydrophobicContact CB-CD1 3.9Å; L58-K81 PolarHBondContact N-O 3.18Å; L58-V82 HydrophobicContact CB-CG2 4.38Å; L58-V82 CarbonylContact O-C 3.57Å; L58-V82 VanDerWaalsContact O-CA 3.3Å; L58-V82 WeakPolarHBondContact O-CA 3.35Å; L58-S83 PolarHBondContact O-N 3.26Å |
| 59 | F | 97.8 | Very high | 95.9 | Very high | 34 Ų | 34 | 45.1 Ų | 45.1 | 15% | 0.149 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 111.6 | 175.7 | -59.8 | -87.1 | 0 | 0 | 0 | 109.1 | R37 V38 N39 C40 S41 E57 K81 | R37-F59 HydrophobicContact CG-CD2 4.16Å; R37-F59 HydrophobicContact CG-CE2 3.92Å; V38-F59 PolarHBondContact O-N 2.85Å; N39-F59 HydrophobicContact CB-CB 4.39Å; C40-F59 CarbonylContact C-O 3.54Å; C40-F59 WeakPolarHBondContact CA-O 3.45Å; C40-F59 PolarHBondContact N-O 2.85Å; S41-F59 PolarHBondContact N-O 2.81Å; S41-F59 WeakPolarHBondContact OG-CB 3.23Å; E57-F59 HydrophobicContact CB-CE2 3.88Å; E57-F59 WeakPolarHBondContact OE2-CE2 3.2Å; F59-K81 HydrophobicContact CZ-CD 4.27Å |
| 60 | V | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -133.8 | 14.1 | -174.7 | -69.5 | 0 | 0 | 0 | 0 | 112.6 | C40 L48 L58 N63 L65 S83 L84 N87 | C40-V60 HydrophobicContact CB-CG1 3.98Å; L48-V60 HydrophobicContact CD2-CB 3.91Å; L48-V60 HydrophobicContact CD2-CG1 3.55Å; L48-V60 HydrophobicContact CD2-CG2 4.17Å; L58-V60 HydrophobicContact CD1-CG1 3.66Å; L58-V60 HydrophobicContact CD2-CG1 4.22Å; L58-V60 HydrophobicContact CD2-CG2 4.44Å; L58-V60 HydrophobicContact CG-CG1 3.79Å; L58-V60 HydrophobicContact CG-CG2 4.37Å; V60-N63 PolarHBondContact O-ND2 2.92Å; V60-L65 HydrophobicContact CB-CD1 4.38Å; V60-S83 WeakPolarHBondContact CG2-O 3.3Å; V60-S83 PolarHBondContact N-O 3.08Å; V60-L84 HydrophobicContact CG2-CD2 3.6Å; V60-L84 HydrophobicContact CG2-CG 4.14Å; V60-N87 PolarHBondContact O-ND2 3.4Å | ||
| 61 | Q | 97.3 | Very high | 96 | Very high | 38 Ų | 38 | 40.8 Ų | 40.8 | 18% | 0.178 | 23% | 0.228 | C | C | . | . | trans | -65.6 | 168.5 | 173.3 | 74.2 | -81 | 21 | 0 | 0 | 114 | S41 S42 N63 S83 S85 | S41-Q61 VanDerWaalsContact CA-O 3.25Å; S41-Q61 WeakPolarHBondContact CA-O 3.49Å; S41-Q61 PolarHBondContact OG-NE2 2.91Å; S41-Q61 PolarHBondContact OG-OE1 2.66Å; S42-Q61 PolarHBondContact N-O 2.94Å; S42-Q61 VanDerWaalsContact N-O 3.14Å; Q61-N63 PolarHBondContact O-N 2.78Å; Q61-N63 PolarHBondContact O-ND2 2.79Å; Q61-N63 VanDerWaalsContact O-ND2 3.15Å; Q61-S83 PolarHBondContact N-O 3.32Å; Q61-S85 WeakPolarHBondContact CB-O 3.34Å | ||
| 62 | D | 96.9 | Very high | 96 | Very high | 81 Ų | 81 | 41.5 Ų | 41.5 | 43% | 0.433 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 59.4 | 32.8 | 179.6 | -58.8 | -61.8 | 0 | 0 | 0 | 113.2 | S42 P86 | S42-D62 WeakPolarHBondContact CA-O 3.28Å; S42-D62 VanDerWaalsContact OG-CB 3.31Å; S42-D62 WeakPolarHBondContact OG-CB 3.37Å; D62-P86 PolarHBondContact N-O 2.65Å; D62-P86 WeakPolarHBondContact OD1-CD 3.24Å; D62-P86 WeakPolarHBondContact OD1-CG 3.32Å |
| 63 | N | 97.9 | Very high | 96.1 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 6% | 0.064 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -114.3 | -169.9 | -179.9 | -79.5 | -57.9 | 0 | 0 | 0 | 111.4 | C40 L43 N44 L45 V60 Q61 L65 N87 P88 | C40-N63 PolarHBondContact O-ND2 2.79Å; L43-N63 PolarHBondContact N-OD1 3.18Å; L43-N63 VanDerWaalsContact N-OD1 3.12Å; N44-N63 PolarHBondContact N-OD1 3.25Å; L45-N63 HydrophobicContact CB-CB 4.2Å; L45-N63 PolarHBondContact N-OD1 2.85Å; V60-N63 PolarHBondContact O-ND2 2.92Å; Q61-N63 PolarHBondContact O-N 2.78Å; Q61-N63 PolarHBondContact O-ND2 2.79Å; Q61-N63 VanDerWaalsContact O-ND2 3.15Å; N63-L65 HydrophobicContact CB-CG 4.21Å; N63-N87 WeakPolarHBondContact CA-OD1 3.43Å; N63-N87 WeakPolarHBondContact CB-OD1 3.29Å; N63-N87 PolarHBondContact O-OD1 2.85Å; N63-P88 VanDerWaalsContact O-CD 3.3Å; N63-P88 WeakPolarHBondContact O-CD 3.44Å |
| 64 | R | 97.6 | Very high | 96.1 | Very high | 131 Ų | 131 | 41.4 Ų | 41.4 | 49% | 0.494 | 22% | 0.222 | S | C | . | . | trans | -115.4 | 26.2 | -177 | -60.3 | -179.6 | -176.7 | -109.6 | -2.3 | 111.8 | N44 L45 M46 T66 N87 | N44-R64 VanDerWaalsContact OD1-CZ 3.29Å; N44-R64 PolarHBondContact OD1-NE 2.86Å; N44-R64 PolarHBondContact OD1-NH2 3.22Å; L45-R64 CarbonylContact O-C 3.59Å; L45-R64 VanDerWaalsContact O-CA 3.27Å; L45-R64 WeakPolarHBondContact O-CA 3.48Å; L45-R64 WeakPolarHBondContact O-CB 3.49Å; L45-R64 PolarHBondContact O-N 3.14Å; M46-R64 HydrophobicContact CG-CB 4.01Å; R64-T66 PolarHBondContact O-N 3.25Å; R64-N87 PolarHBondContact N-OD1 2.94Å | ||
| 65 | L | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -68.1 | 118.7 | -179.5 | -54.6 | 175.1 | 0 | 0 | 0 | 109.6 | L45 L48 V60 N63 N87 P88 F89 | L45-L65 HydrophobicContact CB-CD2 4.35Å; L45-L65 PolarHBondContact O-N 3.29Å; L48-L65 HydrophobicContact CD2-CD1 3.62Å; L48-L65 HydrophobicContact CD2-CD2 4.36Å; L48-L65 HydrophobicContact CG-CD1 4.03Å; L48-L65 HydrophobicContact CG-CD2 4.28Å; V60-L65 HydrophobicContact CB-CD1 4.38Å; N63-L65 HydrophobicContact CB-CG 4.21Å; L65-N87 HydrophobicContact CB-CB 4.25Å; L65-N87 VanDerWaalsContact CB-OD1 3.27Å; L65-N87 WeakPolarHBondContact CB-OD1 3.35Å; L65-N87 WeakPolarHBondContact CG-OD1 3.4Å; L65-N87 PolarHBondContact N-OD1 2.94Å; L65-P88 CarbonylContact O-C 3.54Å; L65-P88 WeakPolarHBondContact O-CD 3.15Å; L65-F89 HydrophobicContact CB-CE1 4.12Å | ||
| 66 | T | 97.6 | Very high | 96 | Very high | 71 Ų | 71 | 47.1 Ų | 47.1 | 44% | 0.436 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -92 | -26 | 175.1 | 53.5 | 0 | 0 | 0 | 0 | 112.3 | R64 F89 R90 | R64-T66 PolarHBondContact O-N 3.25Å; T66-F89 CarbonylContact O-C 3.46Å; T66-F89 WeakPolarHBondContact O-CA 3.46Å; T66-R90 PolarHBondContact O-N 3.21Å |
| 67 | S | 96.6 | Very high | 95.8 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | trans | -157 | 179.1 | 170.5 | 60.5 | 0 | 0 | 0 | 0 | 110.3 | S94 | S67-S94 WeakPolarHBondContact CB-OG 3.39Å; S67-S94 PolarHBondContact OG-OG 3.29Å | ||
| 68 | V | 96.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | trans | -119.6 | 122.2 | 173.1 | 172.5 | 0 | 0 | 0 | 0 | 108.4 | L48 K72 F73 Y97 L98 | L48-V68 HydrophobicContact CD1-CG1 3.92Å; L48-V68 HydrophobicContact CD1-CG2 3.86Å; V68-K72 HydrophobicContact CG1-CB 3.81Å; V68-K72 HydrophobicContact CG1-CG 4.3Å; V68-F73 HydrophobicContact CG1-CD2 4.31Å; V68-F73 HydrophobicContact CG1-CE2 3.96Å; V68-F73 HydrophobicContact CG1-CZ 4.08Å; V68-F73 HydrophobicContact CG2-CE2 4.19Å; V68-F73 HydrophobicContact CG2-CZ 4.1Å; V68-Y97 HydrophobicContact CB-CD1 4.49Å; V68-Y97 HydrophobicContact CG1-CD1 4.09Å; V68-Y97 HydrophobicContact CG1-CE1 3.86Å; V68-Y97 WeakPolarHBondContact O-CD1 3.19Å; V68-L98 HydrophobicContact CB-CB 4.34Å; V68-L98 HydrophobicContact CB-CD1 4.34Å; V68-L98 HydrophobicContact CG2-CD1 4.07Å; V68-L98 HydrophobicContact CG2-CD2 4.11Å | ||
| 69 | P | 93.6 | Very high | 95.5 | Very high | 44 Ų | 44 | 54.2 Ų | 54.2 | 29% | 0.286 | 29% | 0.291 | S | S | . | . | trans | -58 | 142.9 | 177.5 | -27.5 | 34.3 | 0 | 0 | 0 | 113.3 | E47 G71 K72 Y97 | E47-P69 HydrophobicContact CG-CG 4.29Å; P69-G71 PolarHBondContact O-N 3.2Å; P69-K72 HydrophobicContact CB-CG 3.89Å; P69-K72 HydrophobicContact CG-CG 4.29Å; P69-K72 WeakPolarHBondContact O-CB 3.43Å; P69-K72 VanDerWaalsContact O-CG 3.24Å; P69-K72 WeakPolarHBondContact O-CG 3.34Å; P69-K72 PolarHBondContact O-N 2.92Å; P69-Y97 WeakPolarHBondContact O-CE1 3.45Å | ||
| 70 | P | 94.6 | Very high | 95.4 | Very high | 110 Ų | 110 | 61.5 Ų | 61.5 | 71% | 0.714 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 137.5 | 177.3 | -28.4 | 35.3 | 0 | 0 | 0 | 113.9 | K72 Y97 | P70-K72 VanDerWaalsContact C-N 3.31Å; P70-K72 PolarHBondContact O-N 2.88Å; P70-Y97 HydrophobicContact CB-CD2 4.28Å; P70-Y97 HydrophobicContact CB-CG 4.24Å; P70-Y97 HydrophobicContact CG-CG 4.47Å |
| 71 | G | 92.4 | Very high | 95.4 | Very high | 24 Ų | 24 | 65.9 Ų | 65.9 | 25% | 0.247 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -4.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | P69 F73 D74 Y97 | P69-G71 PolarHBondContact O-N 3.2Å; G71-F73 VanDerWaalsContact C-N 3.34Å; G71-F73 PolarHBondContact O-N 2.74Å; G71-D74 WeakPolarHBondContact CA-OD2 3.3Å; G71-D74 PolarHBondContact O-N 2.83Å; G71-Y97 VanDerWaalsContact N-CE2 3.33Å; G71-Y97 VanDerWaalsContact N-CZ 3.29Å |
| 72 | K | 93.9 | Very high | 95.4 | Very high | 43 Ų | 43 | 64.1 Ų | 64.1 | 19% | 0.187 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -36.1 | -179.1 | -77.4 | -87.1 | -171.4 | 169.8 | 0 | 113.5 | E47 L48 V68 P69 P70 | E47-K72 WeakPolarHBondContact OE1-CE 3.36Å; E47-K72 IonicContact OE1-NZ 3.32Å; E47-K72 PolarHBondContact OE1-NZ 3.08Å; L48-K72 HydrophobicContact CB-CD 4.48Å; L48-K72 PolarHBondContact O-NZ 2.81Å; V68-K72 HydrophobicContact CG1-CB 3.81Å; V68-K72 HydrophobicContact CG1-CG 4.3Å; P69-K72 HydrophobicContact CB-CG 3.89Å; P69-K72 HydrophobicContact CG-CG 4.29Å; P69-K72 WeakPolarHBondContact O-CB 3.43Å; P69-K72 VanDerWaalsContact O-CG 3.24Å; P69-K72 WeakPolarHBondContact O-CG 3.34Å; P69-K72 PolarHBondContact O-N 2.92Å; P70-K72 VanDerWaalsContact C-N 3.31Å; P70-K72 PolarHBondContact O-N 2.88Å |
| 73 | F | 95.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 1% | 0.013 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -16.9 | 177.7 | -59.4 | -35.4 | 0 | 0 | 0 | 113.5 | L48 L58 V68 G71 R75 L76 L84 Y97 L98 W101 | L48-F73 HydrophobicContact CD1-CE1 3.51Å; L48-F73 HydrophobicContact CD1-CZ 3.66Å; L58-F73 HydrophobicContact CD2-CD1 4.38Å; L58-F73 HydrophobicContact CD2-CE1 3.71Å; L58-F73 HydrophobicContact CD2-CZ 4.48Å; V68-F73 HydrophobicContact CG1-CD2 4.31Å; V68-F73 HydrophobicContact CG1-CE2 3.96Å; V68-F73 HydrophobicContact CG1-CZ 4.08Å; V68-F73 HydrophobicContact CG2-CE2 4.19Å; V68-F73 HydrophobicContact CG2-CZ 4.1Å; G71-F73 VanDerWaalsContact C-N 3.34Å; G71-F73 PolarHBondContact O-N 2.74Å; F73-R75 PolarHBondContact O-N 2.84Å; F73-R75 VanDerWaalsContact O-N 3.13Å; F73-L76 HydrophobicContact CD1-CD1 4.06Å; F73-L76 WeakPolarHBondContact O-CB 3.27Å; F73-L76 PolarHBondContact O-N 2.78Å; F73-L84 HydrophobicContact CE2-CD1 4.47Å; F73-L84 HydrophobicContact CZ-CD2 4.24Å; F73-Y97 HydrophobicContact CD2-CE1 4.49Å; F73-Y97 PolarHBondContact N-OH 3.08Å; F73-L98 HydrophobicContact CE2-CD1 3.85Å; F73-W101 HydrophobicContact CB-CD2 4.26Å; F73-W101 HydrophobicContact CB-CG 4.34Å; F73-W101 HydrophobicContact CB-CZ2 4.26Å; F73-W101 AromaticContact CD2-CD2 3.67Å; F73-W101 HydrophobicContact CD2-CD2 3.67Å; F73-W101 AromaticContact CD2-CE2 3.87Å; F73-W101 AromaticContact CD2-CE3 3.92Å; F73-W101 HydrophobicContact CD2-CE3 3.92Å; F73-W101 HydrophobicContact CD2-CG 4.04Å; F73-W101 HydrophobicContact CD2-CZ2 4.35Å; F73-W101 HydrophobicContact CD2-CZ3 4.37Å; F73-W101 HydrophobicContact CE2-CD2 4.49Å; F73-W101 HydrophobicContact CE2-CE3 4.3Å; F73-W101 HydrophobicContact CG-CD2 4.39Å; F73-W101 HydrophobicContact CG-CZ2 4.49Å |
| 74 | D | 93.9 | Very high | 95.5 | Very high | 104 Ų | 104 | 60.2 Ų | 60.2 | 56% | 0.556 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.5 | -175.6 | -60.5 | -4.2 | 0 | 0 | 0 | 112.9 | G71 Y97 | G71-D74 WeakPolarHBondContact CA-OD2 3.3Å; G71-D74 PolarHBondContact O-N 2.83Å; D74-Y97 VanDerWaalsContact CG-OH 3.26Å; D74-Y97 PolarHBondContact N-OH 3.15Å; D74-Y97 VanDerWaalsContact OD1-CE2 3.3Å; D74-Y97 WeakPolarHBondContact OD1-CE2 3.38Å; D74-Y97 PolarHBondContact OD1-OH 3.01Å |
| 75 | R | 91.6 | Very high | 95.4 | Very high | 207 Ų | 207 | 54.7 Ų | 54.7 | 78% | 0.781 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -12 | 174.6 | -59.9 | -175.1 | -178.1 | -167 | 0 | 113.8 | F73 A77 | F73-R75 PolarHBondContact O-N 2.84Å; F73-R75 VanDerWaalsContact O-N 3.13Å; R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.33Å |
| 76 | L | 95.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 58.2 Ų | 58.2 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | trans | -95.5 | 58.8 | -174 | -51.4 | -176.5 | 0 | 0 | 0 | 110 | L51 P52 F73 N78 L79 | L51-L76 HydrophobicContact CB-CD1 4.19Å; L51-L76 HydrophobicContact CB-CD2 4.06Å; L51-L76 HydrophobicContact CD1-CD1 3.84Å; P52-L76 VanDerWaalsContact O-CD2 3.23Å; P52-L76 WeakPolarHBondContact O-CD2 3.27Å; F73-L76 HydrophobicContact CD1-CD1 4.06Å; F73-L76 WeakPolarHBondContact O-CB 3.27Å; F73-L76 PolarHBondContact O-N 2.78Å; L76-N78 PolarHBondContact O-N 3.14Å; L76-L79 HydrophobicContact CB-CB 3.99Å; L76-L79 HydrophobicContact CB-CD2 3.99Å; L76-L79 HydrophobicContact CD1-CD2 3.94Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.29Å | ||
| 77 | A | 92.4 | Very high | 95.4 | Very high | 94 Ų | 94 | 55.6 Ų | 55.6 | 78% | 0.777 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -16.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R75 | R75-A77 VanDerWaalsContact C-N 3.33Å; R75-A77 PolarHBondContact O-N 3.33Å |
| 78 | N | 93.9 | Very high | 95.4 | Very high | 89 Ų | 89 | 56.5 Ų | 56.5 | 48% | 0.476 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 5.5 | 178.8 | -61.7 | -67.7 | 0 | 0 | 0 | 113.6 | T56 L76 R80 | T56-N78 WeakPolarHBondContact CA-O 3.2Å; T56-N78 HydrophobicContact CG2-CB 4.04Å; T56-N78 WeakPolarHBondContact CG2-O 3.36Å; L76-N78 PolarHBondContact O-N 3.14Å; N78-R80 PolarHBondContact O-N 3.39Å |
| 79 | L | 95.6 | Very high | 95.5 | Very high | 17 Ų | 17 | 56.5 Ų | 56.5 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | trans | -70.3 | 116.7 | -171.6 | -166.6 | 61.4 | 0 | 0 | 0 | 111.6 | T55 L58 L76 V82 W101 V108 | T55-L79 HydrophobicContact CG2-CD1 3.97Å; L58-L79 HydrophobicContact CB-CD1 3.9Å; L76-L79 HydrophobicContact CB-CB 3.99Å; L76-L79 HydrophobicContact CB-CD2 3.99Å; L76-L79 HydrophobicContact CD1-CD2 3.94Å; L76-L79 WeakPolarHBondContact O-CB 3.46Å; L76-L79 PolarHBondContact O-N 3.29Å; L79-V82 HydrophobicContact CD1-CG2 4Å; L79-V82 HydrophobicContact CD2-CG2 3.38Å; L79-V82 HydrophobicContact CG-CG2 3.63Å; L79-W101 HydrophobicContact CD2-CH2 4.43Å; L79-W101 HydrophobicContact CD2-CZ2 4.08Å; L79-V108 HydrophobicContact CG-CG1 4.21Å | ||
| 80 | R | 95.4 | Very high | 95.8 | Very high | 187 Ų | 187 | 60.6 Ų | 60.6 | 71% | 0.706 | 31% | 0.311 | S | S | * | . | trans | -110.2 | -23.6 | -176.3 | -66.3 | 176.2 | -171.9 | -76.1 | -3.4 | 113.5 | T56 N78 | T56-R80 PolarHBondContact O-N 3.31Å; N78-R80 PolarHBondContact O-N 3.39Å | ||
| 81 | K | 96.9 | Very high | 95.9 | Very high | 93 Ų | 93 | 55.4 Ų | 55.4 | 40% | 0.404 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 133.3 | 175.8 | -167.4 | 169.9 | -175.8 | 171.6 | 0 | 111.7 | T56 E57 L58 F59 V108 S110 | T56-K81 PolarHBondContact O-N 3.48Å; T56-K81 VanDerWaalsContact O-N 3.14Å; E57-K81 CarbonylContact C-O 3.54Å; E57-K81 WeakPolarHBondContact CA-O 3.45Å; E57-K81 HydrophobicContact CB-CB 4.42Å; E57-K81 HydrophobicContact CG-CB 4.08Å; L58-K81 PolarHBondContact N-O 3.18Å; F59-K81 HydrophobicContact CZ-CD 4.27Å; K81-V108 CarbonylContact C-O 3.56Å; K81-V108 WeakPolarHBondContact CA-O 3.05Å; K81-S110 WeakPolarHBondContact CE-OG 3.26Å; K81-S110 WeakPolarHBondContact CG-OG 3.37Å |
| 82 | V | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.6 | 173.5 | 174.8 | 0 | 0 | 0 | 0 | 109.3 | L58 L79 L84 W101 V108 S110 | L58-V82 HydrophobicContact CB-CG2 4.38Å; L58-V82 CarbonylContact O-C 3.57Å; L58-V82 VanDerWaalsContact O-CA 3.3Å; L58-V82 WeakPolarHBondContact O-CA 3.35Å; L79-V82 HydrophobicContact CD1-CG2 4Å; L79-V82 HydrophobicContact CD2-CG2 3.38Å; L79-V82 HydrophobicContact CG-CG2 3.63Å; V82-L84 HydrophobicContact CG1-CD1 3.63Å; V82-L84 HydrophobicContact CG1-CG 3.65Å; V82-W101 HydrophobicContact CB-CH2 4.46Å; V82-W101 HydrophobicContact CG2-CH2 3.87Å; V82-V108 HydrophobicContact CB-CG1 4.46Å; V82-V108 HydrophobicContact CG2-CG1 3.89Å; V82-V108 PolarHBondContact N-O 3.03Å; V82-S110 VanDerWaalsContact O-CB 3.32Å; V82-S110 WeakPolarHBondContact O-CB 3.14Å; V82-S110 PolarHBondContact O-N 2.58Å; V82-S110 PolarHBondContact O-OG 3.45Å |
| 83 | S | 97.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 56 Ų | 56 | 8% | 0.077 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 118.2 | 164.1 | -171.9 | 0 | 0 | 0 | 0 | 110.4 | L58 V60 Q61 | L58-S83 PolarHBondContact O-N 3.26Å; V60-S83 WeakPolarHBondContact CG2-O 3.3Å; V60-S83 PolarHBondContact N-O 3.08Å; Q61-S83 PolarHBondContact N-O 3.32Å |
| 84 | L | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -114.8 | -17.9 | -178.9 | -76.7 | 155.7 | 0 | 0 | 0 | 112.8 | V60 F73 V82 P86 N87 F89 L98 L102 P113 | V60-L84 HydrophobicContact CG2-CD2 3.6Å; V60-L84 HydrophobicContact CG2-CG 4.14Å; F73-L84 HydrophobicContact CE2-CD1 4.47Å; F73-L84 HydrophobicContact CZ-CD2 4.24Å; V82-L84 HydrophobicContact CG1-CD1 3.63Å; V82-L84 HydrophobicContact CG1-CG 3.65Å; L84-P86 CarbonylContact O-C 3.56Å; L84-N87 WeakPolarHBondContact O-CB 3.47Å; L84-N87 PolarHBondContact O-ND2 3.13Å; L84-F89 HydrophobicContact CB-CE2 4.28Å; L84-F89 HydrophobicContact CB-CZ 4.22Å; L84-F89 HydrophobicContact CD2-CZ 3.92Å; L84-L98 HydrophobicContact CD1-CD1 4.12Å; L84-L102 HydrophobicContact CD1-CD2 4.21Å; L84-P113 HydrophobicContact CB-CB 4.31Å | ||
| 85 | S | 96.4 | Very high | 96.1 | Very high | 15 Ų | 15 | 53.4 Ų | 53.4 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | trans | -97.8 | 130.9 | -174.7 | -62 | 0 | 0 | 0 | 0 | 111.2 | Q61 E111 E112 P113 | Q61-S85 WeakPolarHBondContact CB-O 3.34Å; S85-E111 PolarHBondContact OG-O 3.39Å; S85-E112 PolarHBondContact OG-O 3.29Å; S85-P113 VanDerWaalsContact OG-CA 3.31Å; S85-P113 WeakPolarHBondContact OG-CA 3.01Å | ||
| 86 | P | 96.6 | Very high | 96.3 | Very high | 75 Ų | 75 | 47 Ų | 47 | 49% | 0.487 | 25% | 0.25 | S | C | . | . | S | Bend | cis | -85.3 | 146.6 | -2.5 | 33.8 | -35 | 0 | 0 | 0 | 113.5 | D62 L84 | D62-P86 PolarHBondContact N-O 2.65Å; D62-P86 WeakPolarHBondContact OD1-CD 3.24Å; D62-P86 WeakPolarHBondContact OD1-CG 3.32Å; L84-P86 CarbonylContact O-C 3.56Å |
| 87 | N | 98.4 | Very high | 96.4 | Very high | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.08 | 25% | 0.253 | C | S | . | . | trans | -150 | 149.9 | 163.9 | -95.2 | -79 | 0 | 0 | 0 | 109 | V60 N63 R64 L65 L84 F89 | V60-N87 PolarHBondContact O-ND2 3.4Å; N63-N87 WeakPolarHBondContact CA-OD1 3.43Å; N63-N87 WeakPolarHBondContact CB-OD1 3.29Å; N63-N87 PolarHBondContact O-OD1 2.85Å; R64-N87 PolarHBondContact N-OD1 2.94Å; L65-N87 HydrophobicContact CB-CB 4.25Å; L65-N87 VanDerWaalsContact CB-OD1 3.27Å; L65-N87 WeakPolarHBondContact CB-OD1 3.35Å; L65-N87 WeakPolarHBondContact CG-OD1 3.4Å; L65-N87 PolarHBondContact N-OD1 2.94Å; L84-N87 WeakPolarHBondContact O-CB 3.47Å; L84-N87 PolarHBondContact O-ND2 3.13Å; N87-F89 HydrophobicContact CB-CD2 3.96Å; N87-F89 HydrophobicContact CB-CE1 4.24Å; N87-F89 HydrophobicContact CB-CE2 3.46Å; N87-F89 VanDerWaalsContact CB-CE2 3.46Å; N87-F89 HydrophobicContact CB-CZ 3.61Å; N87-F89 PolarHBondContact O-N 3.03Å | ||
| 88 | P | 98.1 | Very high | 96.6 | Very high | 46 Ų | 46 | 43.5 Ų | 43.5 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | trans | -81.2 | 59.2 | -174.5 | 35.3 | -38.4 | 0 | 0 | 0 | 112.9 | N63 L65 R90 | N63-P88 VanDerWaalsContact O-CD 3.3Å; N63-P88 WeakPolarHBondContact O-CD 3.44Å; L65-P88 CarbonylContact O-C 3.54Å; L65-P88 WeakPolarHBondContact O-CD 3.15Å; P88-R90 PolarHBondContact O-N 3.04Å | ||
| 89 | F | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 134.5 | -174.3 | -68.4 | -65.6 | 0 | 0 | 0 | 113.3 | L65 T66 L84 N87 I95 L98 P113 S116 S117 I126 | L65-F89 HydrophobicContact CB-CE1 4.12Å; T66-F89 CarbonylContact O-C 3.46Å; T66-F89 WeakPolarHBondContact O-CA 3.46Å; L84-F89 HydrophobicContact CB-CE2 4.28Å; L84-F89 HydrophobicContact CB-CZ 4.22Å; L84-F89 HydrophobicContact CD2-CZ 3.92Å; N87-F89 HydrophobicContact CB-CD2 3.96Å; N87-F89 HydrophobicContact CB-CE1 4.24Å; N87-F89 HydrophobicContact CB-CE2 3.46Å; N87-F89 VanDerWaalsContact CB-CE2 3.46Å; N87-F89 HydrophobicContact CB-CZ 3.61Å; N87-F89 PolarHBondContact O-N 3.03Å; F89-I95 HydrophobicContact CB-CD1 4.09Å; F89-I95 HydrophobicContact CD1-CD1 3.92Å; F89-I95 HydrophobicContact CG-CD1 4.32Å; F89-L98 HydrophobicContact CD1-CD2 3.82Å; F89-L98 HydrophobicContact CE1-CD2 3.54Å; F89-L98 HydrophobicContact CG-CD2 4.46Å; F89-L98 HydrophobicContact CZ-CD2 3.94Å; F89-P113 HydrophobicContact CD2-CB 3.86Å; F89-P113 HydrophobicContact CE2-CB 3.58Å; F89-S116 PolarHBondContact O-N 3.49Å; F89-S117 PolarHBondContact O-N 2.8Å; F89-I126 HydrophobicContact CB-CD1 3.79Å; F89-I126 HydrophobicContact CD1-CD1 4.34Å; F89-I126 HydrophobicContact CD2-CD1 3.75Å; F89-I126 HydrophobicContact CE2-CD1 4.43Å; F89-I126 HydrophobicContact CG-CD1 3.69Å |
| 90 | R | 98.1 | Very high | 96.8 | Very high | 131 Ų | 131 | 46.9 Ų | 46.9 | 49% | 0.494 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 106.3 | 173.7 | -174.7 | 173.5 | -163.8 | -126.1 | 5.8 | 109.1 | T66 P88 D92 S117 | T66-R90 PolarHBondContact O-N 3.21Å; P88-R90 PolarHBondContact O-N 3.04Å; R90-D92 WeakPolarHBondContact CD-OD2 3.43Å; R90-D92 HydrophobicContact CG-CB 4.25Å; R90-D92 WeakPolarHBondContact CG-OD2 3.25Å; R90-D92 IonicContact CZ-OD2 3.33Å; R90-D92 VanDerWaalsContact CZ-OD2 3.32Å; R90-D92 IonicContact NE-OD2 2.65Å; R90-D92 PolarHBondContact NE-OD2 3.45Å; R90-D92 IonicContact NH1-OD2 2.92Å; R90-D92 PolarHBondContact NH1-OD2 2.61Å; R90-D92 PolarHBondContact O-N 2.92Å; R90-S117 CarbonylContact C-O 3.05Å; R90-S117 WeakPolarHBondContact CA-O 3.34Å; R90-S117 WeakPolarHBondContact CG-OG 3.37Å |
| 91 | C | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -81 | 65.2 | -179.7 | -66.7 | 0 | 0 | 0 | 0 | 111.8 | I95 C115 S117 V121 L129 Y133 | C91-I95 HydrophobicContact CB-CG2 4.43Å; C91-C115 HydrophobicContact CB-CB 3.86Å; C91-C115 WeakPolarHBondContact CB-SG 3.49Å; C91-C115 VanDerWaalsContact SG-CA 3.53Å; C91-C115 WeakPolarHBondContact SG-CB 3.3Å; C91-C115 CovalentContact SG-SG 2.02Å; C91-C115 PolarHBondContact SG-SG 3.45Å; C91-S117 PolarHBondContact N-O 3.26Å; C91-V121 HydrophobicContact CB-CG2 3.94Å; C91-L129 HydrophobicContact CB-CD1 3.64Å; C91-Y133 WeakPolarHBondContact O-CE1 3.37Å; C91-Y133 PolarHBondContact O-OH 3.21Å | ||
| 92 | D | 95.2 | Very high | 96.9 | Very high | 27 Ų | 27 | 34.5 Ų | 34.5 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -111.2 | -165.7 | 168.9 | 67.4 | 19.1 | 0 | 0 | 0 | 110.4 | R90 S94 I95 | R90-D92 WeakPolarHBondContact CD-OD2 3.43Å; R90-D92 HydrophobicContact CG-CB 4.25Å; R90-D92 WeakPolarHBondContact CG-OD2 3.25Å; R90-D92 IonicContact CZ-OD2 3.33Å; R90-D92 VanDerWaalsContact CZ-OD2 3.32Å; R90-D92 IonicContact NE-OD2 2.65Å; R90-D92 PolarHBondContact NE-OD2 3.45Å; R90-D92 IonicContact NH1-OD2 2.92Å; R90-D92 PolarHBondContact NH1-OD2 2.61Å; R90-D92 PolarHBondContact O-N 2.92Å; D92-S94 PolarHBondContact O-N 2.91Å; D92-S94 VanDerWaalsContact O-N 3.14Å; D92-S94 WeakPolarHBondContact OD1-CA 3.2Å; D92-S94 VanDerWaalsContact OD1-CB 3.25Å; D92-S94 WeakPolarHBondContact OD1-CB 3.48Å; D92-S94 PolarHBondContact OD1-N 3.49Å; D92-S94 PolarHBondContact OD1-OG 2.63Å; D92-I95 WeakPolarHBondContact O-CG2 3.31Å; D92-I95 PolarHBondContact O-N 3.07Å |
| 93 | C | 94.4 | Very high | 96.9 | Very high | 52 Ų | 52 | 37.3 Ų | 37.3 | 35% | 0.351 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -59 | -23 | 178.5 | -53.9 | 0 | 0 | 0 | 0 | 115 | I95 Q96 Y136 C137 | C93-I95 VanDerWaalsContact C-N 3.32Å; C93-Q96 WeakPolarHBondContact O-CG 3.48Å; C93-Y136 VanDerWaalsContact SG-CE2 3.52Å; C93-C137 WeakPolarHBondContact CA-SG 3.13Å; C93-C137 HydrophobicContact CB-CB 3.55Å; C93-C137 WeakPolarHBondContact CB-SG 3.41Å; C93-C137 WeakPolarHBondContact SG-CA 3.3Å; C93-C137 WeakPolarHBondContact SG-CB 3.36Å; C93-C137 CovalentContact SG-SG 2.03Å; C93-C137 PolarHBondContact SG-SG 2.76Å |
| 94 | S | 94.1 | Very high | 96.8 | Very high | 54 Ų | 54 | 43.8 Ų | 43.8 | 38% | 0.378 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -74.4 | -20.7 | 176.4 | 74.8 | 0 | 0 | 0 | 0 | 113.2 | S67 D92 Q96 | S67-S94 WeakPolarHBondContact CB-OG 3.39Å; S67-S94 PolarHBondContact OG-OG 3.29Å; D92-S94 PolarHBondContact O-N 2.91Å; D92-S94 VanDerWaalsContact O-N 3.14Å; D92-S94 WeakPolarHBondContact OD1-CA 3.2Å; D92-S94 VanDerWaalsContact OD1-CB 3.25Å; D92-S94 WeakPolarHBondContact OD1-CB 3.48Å; D92-S94 PolarHBondContact OD1-N 3.49Å; D92-S94 PolarHBondContact OD1-OG 2.63Å; S94-Q96 VanDerWaalsContact C-N 3.27Å; S94-Q96 PolarHBondContact O-N 2.77Å |
| 95 | I | 96.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -75.6 | -14.6 | 178.4 | -141.2 | 63.2 | 0 | 0 | 0 | 113.1 | F89 C91 D92 C93 Y97 L98 R99 I126 F134 | F89-I95 HydrophobicContact CB-CD1 4.09Å; F89-I95 HydrophobicContact CD1-CD1 3.92Å; F89-I95 HydrophobicContact CG-CD1 4.32Å; C91-I95 HydrophobicContact CB-CG2 4.43Å; D92-I95 WeakPolarHBondContact O-CG2 3.31Å; D92-I95 PolarHBondContact O-N 3.07Å; C93-I95 VanDerWaalsContact C-N 3.32Å; I95-Y97 VanDerWaalsContact C-N 3.3Å; I95-Y97 PolarHBondContact O-N 3.41Å; I95-L98 HydrophobicContact CD1-CB 4.45Å; I95-L98 HydrophobicContact CD1-CD2 3.95Å; I95-L98 HydrophobicContact CG1-CB 4.5Å; I95-L98 WeakPolarHBondContact O-CB 3.47Å; I95-L98 PolarHBondContact O-N 2.76Å; I95-R99 PolarHBondContact O-N 2.9Å; I95-I126 HydrophobicContact CD1-CD1 4.16Å; I95-I126 HydrophobicContact CG1-CD1 4.01Å; I95-I126 HydrophobicContact CG1-CG1 4.34Å; I95-I126 HydrophobicContact CG1-CG2 3.93Å; I95-I126 HydrophobicContact CG2-CG2 4.43Å; I95-F134 HydrophobicContact CG2-CE1 3.7Å; I95-F134 HydrophobicContact CG2-CZ 3.67Å |
| 96 | Q | 95.6 | Very high | 96.6 | Very high | 72 Ų | 72 | 51.7 Ų | 51.7 | 34% | 0.336 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -54.2 | -42 | -171.1 | -75.5 | -171.9 | -22.6 | 0 | 0 | 113.7 | C93 S94 R99 Y100 F134 | C93-Q96 WeakPolarHBondContact O-CG 3.48Å; S94-Q96 VanDerWaalsContact C-N 3.27Å; S94-Q96 PolarHBondContact O-N 2.77Å; Q96-R99 PolarHBondContact O-N 3.39Å; Q96-Y100 WeakPolarHBondContact O-CB 3.01Å; Q96-Y100 PolarHBondContact O-N 2.71Å; Q96-F134 HydrophobicContact CG-CD1 3.92Å; Q96-F134 HydrophobicContact CG-CE1 4.37Å; Q96-F134 HydrophobicContact CG-CG 4.32Å |
| 97 | Y | 96 | Very high | 96.5 | Very high | 29 Ų | 29 | 55.9 Ų | 55.9 | 11% | 0.114 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.1 | -49 | 176.3 | 169.6 | -104.9 | 0 | 0 | 0 | 111.4 | V68 P69 P70 G71 F73 D74 I95 R99 Y100 W101 | V68-Y97 HydrophobicContact CB-CD1 4.49Å; V68-Y97 HydrophobicContact CG1-CD1 4.09Å; V68-Y97 HydrophobicContact CG1-CE1 3.86Å; V68-Y97 WeakPolarHBondContact O-CD1 3.19Å; P69-Y97 WeakPolarHBondContact O-CE1 3.45Å; P70-Y97 HydrophobicContact CB-CD2 4.28Å; P70-Y97 HydrophobicContact CB-CG 4.24Å; P70-Y97 HydrophobicContact CG-CG 4.47Å; G71-Y97 VanDerWaalsContact N-CE2 3.33Å; G71-Y97 VanDerWaalsContact N-CZ 3.29Å; F73-Y97 HydrophobicContact CD2-CE1 4.49Å; F73-Y97 PolarHBondContact N-OH 3.08Å; D74-Y97 VanDerWaalsContact CG-OH 3.26Å; D74-Y97 PolarHBondContact N-OH 3.15Å; D74-Y97 VanDerWaalsContact OD1-CE2 3.3Å; D74-Y97 WeakPolarHBondContact OD1-CE2 3.38Å; D74-Y97 PolarHBondContact OD1-OH 3.01Å; I95-Y97 VanDerWaalsContact C-N 3.3Å; I95-Y97 PolarHBondContact O-N 3.41Å; Y97-R99 PolarHBondContact O-N 2.79Å; Y97-Y100 PolarHBondContact O-N 3.14Å; Y97-W101 WeakPolarHBondContact O-CB 3.45Å; Y97-W101 PolarHBondContact O-N 3Å |
| 98 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 178.6 | -178 | 58.8 | 0 | 0 | 0 | 110.7 | V68 F73 L84 F89 I95 Y100 W101 L102 I126 | V68-L98 HydrophobicContact CB-CB 4.34Å; V68-L98 HydrophobicContact CB-CD1 4.34Å; V68-L98 HydrophobicContact CG2-CD1 4.07Å; V68-L98 HydrophobicContact CG2-CD2 4.11Å; F73-L98 HydrophobicContact CE2-CD1 3.85Å; L84-L98 HydrophobicContact CD1-CD1 4.12Å; F89-L98 HydrophobicContact CD1-CD2 3.82Å; F89-L98 HydrophobicContact CE1-CD2 3.54Å; F89-L98 HydrophobicContact CG-CD2 4.46Å; F89-L98 HydrophobicContact CZ-CD2 3.94Å; I95-L98 HydrophobicContact CD1-CB 4.45Å; I95-L98 HydrophobicContact CD1-CD2 3.95Å; I95-L98 HydrophobicContact CG1-CB 4.5Å; I95-L98 WeakPolarHBondContact O-CB 3.47Å; I95-L98 PolarHBondContact O-N 2.76Å; L98-Y100 PolarHBondContact O-N 3.23Å; L98-W101 PolarHBondContact O-N 3.38Å; L98-L102 HydrophobicContact CD1-CD1 4.16Å; L98-L102 HydrophobicContact CD1-CD2 4.44Å; L98-L102 HydrophobicContact CD1-CG 4.07Å; L98-L102 HydrophobicContact CG-CD1 3.84Å; L98-L102 HydrophobicContact CG-CG 4.25Å; L98-L102 WeakPolarHBondContact O-CB 3.34Å; L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 3.34Å; L98-I126 HydrophobicContact CD2-CD1 3.87Å |
| 99 | R | 97.4 | Very high | 96.3 | Very high | 21 Ų | 21 | 55.5 Ų | 55.5 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.2 | -51.1 | 175.1 | 177.4 | 175.9 | 168.6 | -89.8 | 2.3 | 112.2 | I95 Q96 Y97 W101 L102 L103 I126 L129 D131 | I95-R99 PolarHBondContact O-N 2.9Å; Q96-R99 PolarHBondContact O-N 3.39Å; Y97-R99 PolarHBondContact O-N 2.79Å; R99-W101 VanDerWaalsContact C-N 3.32Å; R99-W101 PolarHBondContact O-N 3.21Å; R99-L102 PolarHBondContact O-N 2.82Å; R99-L103 HydrophobicContact CG-CD1 3.98Å; R99-L103 HydrophobicContact CG-CG 4.44Å; R99-L103 WeakPolarHBondContact O-CB 3.49Å; R99-L103 VanDerWaalsContact O-CG 3.29Å; R99-L103 WeakPolarHBondContact O-CG 3.44Å; R99-L103 PolarHBondContact O-N 3.01Å; R99-I126 HydrophobicContact CB-CG2 3.67Å; R99-I126 VanDerWaalsContact CD-O 3.3Å; R99-I126 WeakPolarHBondContact CD-O 3.27Å; R99-I126 HydrophobicContact CG-CG2 4.31Å; R99-I126 WeakPolarHBondContact CG-O 3.11Å; R99-L129 PolarHBondContact NE-O 3.38Å; R99-L129 PolarHBondContact NH2-O 3.2Å; R99-D131 IonicContact CZ-OD1 2.79Å; R99-D131 VanDerWaalsContact CZ-OD1 3.25Å; R99-D131 IonicContact NH1-OD1 2.7Å; R99-D131 PolarHBondContact NH1-OD1 3.18Å; R99-D131 VanDerWaalsContact NH2-CG 3.32Å; R99-D131 IonicContact NH2-OD1 3.49Å; R99-D131 PolarHBondContact NH2-OD1 2.75Å; R99-D131 IonicContact NH2-OD2 2.92Å; R99-D131 PolarHBondContact NH2-OD2 2.83Å |
| 100 | Y | 96.6 | Very high | 96.1 | Very high | 155 Ų | 155 | 57.9 Ų | 57.9 | 61% | 0.608 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.9 | -41.6 | 179.5 | 178.5 | -97.7 | 0 | 0 | 0 | 111.7 | Q96 Y97 L98 K104 | Q96-Y100 WeakPolarHBondContact O-CB 3.01Å; Q96-Y100 PolarHBondContact O-N 2.71Å; Y97-Y100 PolarHBondContact O-N 3.14Å; L98-Y100 PolarHBondContact O-N 3.23Å; Y100-K104 PolarHBondContact O-N 2.02Å |
| 101 | W | 97.3 | Very high | 95.9 | Very high | 17 Ų | 17 | 57.4 Ų | 57.4 | 6% | 0.064 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 176.6 | -173.1 | 94.6 | 0 | 0 | 0 | 111.9 | F73 L79 V82 Y97 L98 R99 K104 N105 V108 V109 | F73-W101 HydrophobicContact CB-CD2 4.26Å; F73-W101 HydrophobicContact CB-CG 4.34Å; F73-W101 HydrophobicContact CB-CZ2 4.26Å; F73-W101 AromaticContact CD2-CD2 3.67Å; F73-W101 HydrophobicContact CD2-CD2 3.67Å; F73-W101 AromaticContact CD2-CE2 3.87Å; F73-W101 AromaticContact CD2-CE3 3.92Å; F73-W101 HydrophobicContact CD2-CE3 3.92Å; F73-W101 HydrophobicContact CD2-CG 4.04Å; F73-W101 HydrophobicContact CD2-CZ2 4.35Å; F73-W101 HydrophobicContact CD2-CZ3 4.37Å; F73-W101 HydrophobicContact CE2-CD2 4.49Å; F73-W101 HydrophobicContact CE2-CE3 4.3Å; F73-W101 HydrophobicContact CG-CD2 4.39Å; F73-W101 HydrophobicContact CG-CZ2 4.49Å; L79-W101 HydrophobicContact CD2-CH2 4.43Å; L79-W101 HydrophobicContact CD2-CZ2 4.08Å; V82-W101 HydrophobicContact CB-CH2 4.46Å; V82-W101 HydrophobicContact CG2-CH2 3.87Å; Y97-W101 WeakPolarHBondContact O-CB 3.45Å; Y97-W101 PolarHBondContact O-N 3Å; L98-W101 PolarHBondContact O-N 3.38Å; R99-W101 VanDerWaalsContact C-N 3.32Å; R99-W101 PolarHBondContact O-N 3.21Å; W101-K104 PolarHBondContact O-N 2.99Å; W101-N105 HydrophobicContact CD2-CB 4.37Å; W101-N105 HydrophobicContact CE3-CB 4.43Å; W101-N105 HydrophobicContact CH2-CB 3.94Å; W101-N105 HydrophobicContact CZ2-CB 3.89Å; W101-N105 HydrophobicContact CZ3-CB 4.24Å; W101-N105 PolarHBondContact NE1-ND2 3.35Å; W101-N105 WeakPolarHBondContact O-CB 3.05Å; W101-N105 PolarHBondContact O-N 2.57Å; W101-N105 PolarHBondContact O-ND2 3.49Å; W101-V108 HydrophobicContact CH2-CG1 4.03Å; W101-V109 HydrophobicContact CH2-CG2 4.48Å; W101-V109 HydrophobicContact CZ3-CG2 3.89Å |
| 102 | L | 97.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 176.5 | -68.5 | 165.5 | 0 | 0 | 0 | 111.9 | L84 L98 R99 K104 N105 R106 V109 P113 I126 T127 | L84-L102 HydrophobicContact CD1-CD2 4.21Å; L98-L102 HydrophobicContact CD1-CD1 4.16Å; L98-L102 HydrophobicContact CD1-CD2 4.44Å; L98-L102 HydrophobicContact CD1-CG 4.07Å; L98-L102 HydrophobicContact CG-CD1 3.84Å; L98-L102 HydrophobicContact CG-CG 4.25Å; L98-L102 WeakPolarHBondContact O-CB 3.34Å; L98-L102 WeakPolarHBondContact O-CG 3.36Å; L98-L102 PolarHBondContact O-N 3.34Å; R99-L102 PolarHBondContact O-N 2.82Å; L102-K104 PolarHBondContact O-N 2.67Å; L102-N105 PolarHBondContact O-N 2.03Å; L102-R106 WeakPolarHBondContact O-CG 3.37Å; L102-R106 PolarHBondContact O-N 2.87Å; L102-V109 HydrophobicContact CD2-CG1 4.24Å; L102-V109 HydrophobicContact CD2-CG2 3.61Å; L102-P113 HydrophobicContact CD1-CG 3.38Å; L102-P113 HydrophobicContact CD2-CG 3.81Å; L102-P113 HydrophobicContact CG-CG 4.25Å; L102-I126 HydrophobicContact CD1-CB 3.99Å; L102-I126 HydrophobicContact CD1-CD1 4.46Å; L102-I126 HydrophobicContact CD1-CG2 3.85Å; L102-T127 HydrophobicContact CB-CG2 3.69Å; L102-T127 HydrophobicContact CD1-CG2 4.38Å |
| 103 | L | 96.3 | Very high | 95.8 | Very high | 59 Ų | 59 | 60.2 Ų | 60.2 | 31% | 0.309 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59 | -31.9 | 178.3 | -74.3 | 173.3 | 0 | 0 | 0 | 112.6 | R99 T127 | R99-L103 HydrophobicContact CG-CD1 3.98Å; R99-L103 HydrophobicContact CG-CG 4.44Å; R99-L103 WeakPolarHBondContact O-CB 3.49Å; R99-L103 VanDerWaalsContact O-CG 3.29Å; R99-L103 WeakPolarHBondContact O-CG 3.44Å; R99-L103 PolarHBondContact O-N 3.01Å; L103-T127 HydrophobicContact CD2-CG2 3.92Å; L103-T127 HydrophobicContact CG-CG2 4.18Å |
| 104 | K | 95.8 | Very high | 96 | Very high | 148 Ų | 148 | 61.1 Ų | 61.1 | 64% | 0.643 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -85.3 | -27.7 | 178.8 | -177.2 | 176.8 | 176.6 | -175.8 | 0 | 114.1 | Y100 W101 L102 | Y100-K104 PolarHBondContact O-N 2.02Å; W101-K104 PolarHBondContact O-N 2.99Å; L102-K104 PolarHBondContact O-N 2.67Å |
| 105 | N | 96.3 | Very high | 96.2 | Very high | 42 Ų | 42 | 58.6 Ų | 58.6 | 23% | 0.225 | 28% | 0.277 | C | S | . | . | trans | -121.9 | 36.3 | -169.9 | -57.4 | -85.1 | 0 | 0 | 0 | 112.6 | W101 L102 D107 V108 | W101-N105 HydrophobicContact CD2-CB 4.37Å; W101-N105 HydrophobicContact CE3-CB 4.43Å; W101-N105 HydrophobicContact CH2-CB 3.94Å; W101-N105 HydrophobicContact CZ2-CB 3.89Å; W101-N105 HydrophobicContact CZ3-CB 4.24Å; W101-N105 PolarHBondContact NE1-ND2 3.35Å; W101-N105 WeakPolarHBondContact O-CB 3.05Å; W101-N105 PolarHBondContact O-N 2.57Å; W101-N105 PolarHBondContact O-ND2 3.49Å; L102-N105 PolarHBondContact O-N 2.03Å; N105-D107 VanDerWaalsContact C-N 3.29Å; N105-D107 PolarHBondContact O-N 3.44Å; N105-V108 HydrophobicContact CB-CB 4.31Å; N105-V108 HydrophobicContact CB-CG2 4.4Å; N105-V108 WeakPolarHBondContact O-CB 3.33Å; N105-V108 PolarHBondContact O-N 3.2Å | ||
| 106 | R | 93.8 | Very high | 96.3 | Very high | 138 Ų | 138 | 61.6 Ų | 61.6 | 52% | 0.521 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -50.7 | -45.1 | -174.6 | -68.2 | -176.7 | 177.1 | -122.1 | 0.2 | 113.2 | L102 V108 V109 | L102-R106 WeakPolarHBondContact O-CG 3.37Å; L102-R106 PolarHBondContact O-N 2.87Å; R106-V108 PolarHBondContact O-N 2.95Å; R106-V108 VanDerWaalsContact O-N 3.15Å; R106-V109 PolarHBondContact O-N 3.34Å; R106-V109 VanDerWaalsContact O-N 3.08Å |
| 107 | D | 94.4 | Very high | 96.4 | Very high | 164 Ų | 164 | 60 Ų | 60 | 88% | 0.877 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -67.7 | -13.3 | -177.4 | -46.7 | -68.7 | 0 | 0 | 0 | 114.4 | N105 | N105-D107 VanDerWaalsContact C-N 3.29Å; N105-D107 PolarHBondContact O-N 3.44Å |
| 108 | V | 95.6 | Very high | 96.5 | Very high | 25 Ų | 25 | 60.9 Ų | 60.9 | 15% | 0.152 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -89.4 | -16.8 | 177.3 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | L79 K81 V82 W101 N105 R106 | L79-V108 HydrophobicContact CG-CG1 4.21Å; K81-V108 CarbonylContact C-O 3.56Å; K81-V108 WeakPolarHBondContact CA-O 3.05Å; V82-V108 HydrophobicContact CB-CG1 4.46Å; V82-V108 HydrophobicContact CG2-CG1 3.89Å; V82-V108 PolarHBondContact N-O 3.03Å; W101-V108 HydrophobicContact CH2-CG1 4.03Å; N105-V108 HydrophobicContact CB-CB 4.31Å; N105-V108 HydrophobicContact CB-CG2 4.4Å; N105-V108 WeakPolarHBondContact O-CB 3.33Å; N105-V108 PolarHBondContact O-N 3.2Å; R106-V108 PolarHBondContact O-N 2.95Å; R106-V108 VanDerWaalsContact O-N 3.15Å |
| 109 | V | 96.3 | Very high | 96.4 | Very high | 28 Ų | 28 | 64.2 Ų | 64.2 | 17% | 0.17 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -92 | 124 | -173.2 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | W101 L102 R106 E111 | W101-V109 HydrophobicContact CH2-CG2 4.48Å; W101-V109 HydrophobicContact CZ3-CG2 3.89Å; L102-V109 HydrophobicContact CD2-CG1 4.24Å; L102-V109 HydrophobicContact CD2-CG2 3.61Å; R106-V109 PolarHBondContact O-N 3.34Å; R106-V109 VanDerWaalsContact O-N 3.08Å; V109-E111 WeakPolarHBondContact CG1-O 2.98Å |
| 110 | S | 94.4 | Very high | 96.4 | Very high | 50 Ų | 50 | 68 Ų | 68 | 35% | 0.35 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -73.2 | -38.7 | -176.2 | -51.1 | 0 | 0 | 0 | 0 | 113.1 | K81 V82 | K81-S110 WeakPolarHBondContact CE-OG 3.26Å; K81-S110 WeakPolarHBondContact CG-OG 3.37Å; V82-S110 VanDerWaalsContact O-CB 3.32Å; V82-S110 WeakPolarHBondContact O-CB 3.14Å; V82-S110 PolarHBondContact O-N 2.58Å; V82-S110 PolarHBondContact O-OG 3.45Å |
| 111 | E | 94.6 | Very high | 96.4 | Very high | 122 Ų | 122 | 61.1 Ų | 61.1 | 57% | 0.57 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -147 | 138.6 | 179.6 | -71 | -177.7 | -169.3 | 0 | 0 | 107.9 | S85 V109 | S85-E111 PolarHBondContact OG-O 3.39Å; V109-E111 WeakPolarHBondContact CG1-O 2.98Å |
| 112 | E | 94.7 | Very high | 96.4 | Very high | 86 Ų | 86 | 62 Ų | 62 | 40% | 0.402 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 126.5 | -173.8 | -161.4 | 156.6 | -142.3 | 0 | 0 | 110.9 | S85 A125 T127 | S85-E112 PolarHBondContact OG-O 3.29Å; E112-A125 HydrophobicContact CG-CB 3.99Å; E112-T127 WeakPolarHBondContact OE1-CB 3.41Å; E112-T127 WeakPolarHBondContact OE1-CG2 3Å; E112-T127 PolarHBondContact OE1-OG1 2.83Å |
| 113 | P | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 131.4 | -176.5 | 28.9 | -34.4 | 0 | 0 | 0 | 111.8 | L84 S85 F89 L102 I126 | L84-P113 HydrophobicContact CB-CB 4.31Å; S85-P113 VanDerWaalsContact OG-CA 3.31Å; S85-P113 WeakPolarHBondContact OG-CA 3.01Å; F89-P113 HydrophobicContact CD2-CB 3.86Å; F89-P113 HydrophobicContact CE2-CB 3.58Å; L102-P113 HydrophobicContact CD1-CG 3.38Å; L102-P113 HydrophobicContact CD2-CG 3.81Å; L102-P113 HydrophobicContact CG-CG 4.25Å; P113-I126 HydrophobicContact CB-CD1 3.89Å; P113-I126 HydrophobicContact CG-CD1 3.97Å; P113-I126 WeakPolarHBondContact O-CG1 3.25Å; P113-I126 PolarHBondContact O-N 3.33Å |
| 114 | L | 98 | Very high | 96.5 | Very high | 71 Ų | 71 | 69.1 Ų | 69.1 | 37% | 0.372 | 39% | 0.387 | S | S | . | . | B | Isolated β-bridge | trans | -96 | 149.4 | -179.5 | -52.1 | -175.9 | 0 | 0 | 0 | 111.8 | N124 A125 | L114-N124 CarbonylContact C-O 3.22Å; L114-N124 WeakPolarHBondContact CA-O 3.4Å; L114-A125 HydrophobicContact CD2-CB 4.19Å |
| 115 | C | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.007 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 130.1 | 169.9 | -63.6 | 0 | 0 | 0 | 0 | 111 | C91 V121 A122 Q123 N124 | C91-C115 HydrophobicContact CB-CB 3.86Å; C91-C115 WeakPolarHBondContact CB-SG 3.49Å; C91-C115 VanDerWaalsContact SG-CA 3.53Å; C91-C115 WeakPolarHBondContact SG-CB 3.3Å; C91-C115 CovalentContact SG-SG 2.02Å; C91-C115 PolarHBondContact SG-SG 3.45Å; C115-V121 HydrophobicContact CB-CG2 4.3Å; C115-V121 WeakPolarHBondContact CB-O 3.4Å; C115-A122 CarbonylContact O-C 3.44Å; C115-A122 WeakPolarHBondContact O-CA 3.29Å; C115-Q123 PolarHBondContact O-N 3.2Å; C115-N124 PolarHBondContact N-O 3.25Å |
| 116 | S | 98.4 | Very high | 96.6 | Very high | 63 Ų | 63 | 60.3 Ų | 60.3 | 44% | 0.441 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -27.6 | 169.7 | 177.8 | 0 | 0 | 0 | 0 | 112.3 | F89 | F89-S116 PolarHBondContact O-N 3.49Å |
| 117 | S | 97.8 | Very high | 96.8 | Very high | 39 Ų | 39 | 54.2 Ų | 54.2 | 27% | 0.273 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 162.2 | 176.8 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | F89 R90 C91 | F89-S117 PolarHBondContact O-N 2.8Å; R90-S117 CarbonylContact C-O 3.05Å; R90-S117 WeakPolarHBondContact CA-O 3.34Å; R90-S117 WeakPolarHBondContact CG-OG 3.37Å; C91-S117 PolarHBondContact N-O 3.26Å |
| 118 | P | 97.3 | Very high | 96.9 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | S | Bend | cis | -65.2 | 160.1 | -9.3 | 29.6 | -34.6 | 0 | 0 | 0 | 112.2 | S120 V121 A122 Y133 | P118-S120 PolarHBondContact O-N 2.76Å; P118-V121 HydrophobicContact CG-CG2 4.04Å; P118-V121 WeakPolarHBondContact O-CG2 3.17Å; P118-V121 PolarHBondContact O-N 3.22Å; P118-A122 PolarHBondContact O-N 3Å; P118-Y133 WeakPolarHBondContact CG-OH 3.44Å |
| 119 | G | 97.1 | Very high | 96.9 | Very high | 71 Ų | 71 | 51.1 Ų | 51.1 | 73% | 0.732 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -59.4 | -20.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V121 | G119-V121 PolarHBondContact O-N 3.22Š|
| 120 | S | 96.5 | Very high | 96.9 | Very high | 100 Ų | 100 | 53 Ų | 53 | 70% | 0.699 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -68.5 | -14.2 | 174.7 | 53.3 | 0 | 0 | 0 | 0 | 114.8 | P118 | P118-S120 PolarHBondContact O-N 2.76Š|
| 121 | V | 97.1 | Very high | 96.8 | Very high | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.067 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -133.9 | 17.2 | 177.5 | -62.2 | 0 | 0 | 0 | 0 | 112.1 | C91 C115 P118 G119 N124 L129 Y133 | C91-V121 HydrophobicContact CB-CG2 3.94Å; C115-V121 HydrophobicContact CB-CG2 4.3Å; C115-V121 WeakPolarHBondContact CB-O 3.4Å; P118-V121 HydrophobicContact CG-CG2 4.04Å; P118-V121 WeakPolarHBondContact O-CG2 3.17Å; P118-V121 PolarHBondContact O-N 3.22Å; G119-V121 PolarHBondContact O-N 3.22Å; V121-N124 VanDerWaalsContact C-OD1 3.28Å; V121-N124 WeakPolarHBondContact CA-OD1 3.4Å; V121-N124 WeakPolarHBondContact O-CB 3.46Å; V121-N124 PolarHBondContact O-N 2.92Å; V121-N124 PolarHBondContact O-OD1 3.03Å; V121-L129 HydrophobicContact CB-CD2 3.98Å; V121-L129 HydrophobicContact CG1-CD2 3.77Å; V121-Y133 HydrophobicContact CG1-CD2 4.28Å; V121-Y133 HydrophobicContact CG1-CE2 3.67Å |
| 122 | A | 97.6 | Very high | 96.7 | Very high | 36 Ų | 36 | 53.5 Ų | 53.5 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 139.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | C115 P118 N124 | C115-A122 CarbonylContact O-C 3.44Å; C115-A122 WeakPolarHBondContact O-CA 3.29Å; P118-A122 PolarHBondContact O-N 3Å; A122-N124 PolarHBondContact O-N 3.27Å |
| 123 | Q | 96.9 | Very high | 96.7 | Very high | 141 Ų | 141 | 51.9 Ų | 51.9 | 66% | 0.659 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | -1.5 | -171.3 | -48.3 | -58.9 | -34.5 | 0 | 0 | 116.2 | C115 | C115-Q123 PolarHBondContact O-N 3.2Š|
| 124 | N | 97.6 | Very high | 96.6 | Very high | 69 Ų | 69 | 52.2 Ų | 52.2 | 37% | 0.369 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -70 | 148 | 164.4 | -67.4 | 89.2 | 0 | 0 | 0 | 110.7 | L114 C115 V121 A122 L129 | L114-N124 CarbonylContact C-O 3.22Å; L114-N124 WeakPolarHBondContact CA-O 3.4Å; C115-N124 PolarHBondContact N-O 3.25Å; V121-N124 VanDerWaalsContact C-OD1 3.28Å; V121-N124 WeakPolarHBondContact CA-OD1 3.4Å; V121-N124 WeakPolarHBondContact O-CB 3.46Å; V121-N124 PolarHBondContact O-N 2.92Å; V121-N124 PolarHBondContact O-OD1 3.03Å; A122-N124 PolarHBondContact O-N 3.27Å; N124-L129 HydrophobicContact CB-CD2 4.35Å |
| 125 | A | 97.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 4% | 0.041 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -66.2 | 144.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | E112 L114 T127 D128 | E112-A125 HydrophobicContact CG-CB 3.99Å; L114-A125 HydrophobicContact CD2-CB 4.19Å; A125-T127 WeakPolarHBondContact CB-OG1 3.45Å; A125-T127 PolarHBondContact O-N 3.34Å; A125-D128 HydrophobicContact CB-CB 4.3Å; A125-D128 PolarHBondContact O-N 3.34Å |
| 126 | I | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -29.8 | 177.6 | -68.7 | 174.1 | 0 | 0 | 0 | 111.5 | F89 I95 L98 R99 L102 P113 | F89-I126 HydrophobicContact CB-CD1 3.79Å; F89-I126 HydrophobicContact CD1-CD1 4.34Å; F89-I126 HydrophobicContact CD2-CD1 3.75Å; F89-I126 HydrophobicContact CE2-CD1 4.43Å; F89-I126 HydrophobicContact CG-CD1 3.69Å; I95-I126 HydrophobicContact CD1-CD1 4.16Å; I95-I126 HydrophobicContact CG1-CD1 4.01Å; I95-I126 HydrophobicContact CG1-CG1 4.34Å; I95-I126 HydrophobicContact CG1-CG2 3.93Å; I95-I126 HydrophobicContact CG2-CG2 4.43Å; L98-I126 HydrophobicContact CD2-CD1 3.87Å; R99-I126 HydrophobicContact CB-CG2 3.67Å; R99-I126 VanDerWaalsContact CD-O 3.3Å; R99-I126 WeakPolarHBondContact CD-O 3.27Å; R99-I126 HydrophobicContact CG-CG2 4.31Å; R99-I126 WeakPolarHBondContact CG-O 3.11Å; L102-I126 HydrophobicContact CD1-CB 3.99Å; L102-I126 HydrophobicContact CD1-CD1 4.46Å; L102-I126 HydrophobicContact CD1-CG2 3.85Å; P113-I126 HydrophobicContact CB-CD1 3.89Å; P113-I126 HydrophobicContact CG-CD1 3.97Å; P113-I126 WeakPolarHBondContact O-CG1 3.25Å; P113-I126 PolarHBondContact O-N 3.33Å |
| 127 | T | 96.9 | Very high | 95.2 | Very high | 10 Ų | 10 | 55.5 Ų | 55.5 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -33.5 | 179.4 | 44.4 | 0 | 0 | 0 | 0 | 113.9 | L102 L103 E112 A125 L129 | L102-T127 HydrophobicContact CB-CG2 3.69Å; L102-T127 HydrophobicContact CD1-CG2 4.38Å; L103-T127 HydrophobicContact CD2-CG2 3.92Å; L103-T127 HydrophobicContact CG-CG2 4.18Å; E112-T127 WeakPolarHBondContact OE1-CB 3.41Å; E112-T127 WeakPolarHBondContact OE1-CG2 3Å; E112-T127 PolarHBondContact OE1-OG1 2.83Å; A125-T127 WeakPolarHBondContact CB-OG1 3.45Å; A125-T127 PolarHBondContact O-N 3.34Å; T127-L129 VanDerWaalsContact C-N 3.25Å; T127-L129 PolarHBondContact O-N 3.29Å |
| 128 | D | 97.1 | Very high | 94 | Very high | 113 Ų | 113 | 59.1 Ų | 59.1 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -23.3 | -179.9 | -76.1 | -22.9 | 0 | 0 | 0 | 113.2 | A125 S130 | A125-D128 HydrophobicContact CB-CB 4.3Å; A125-D128 PolarHBondContact O-N 3.34Å; D128-S130 PolarHBondContact O-N 3.21Å |
| 129 | L | 96.3 | Very high | 92.3 | Very high | 12 Ų | 12 | 64.7 Ų | 64.7 | 6% | 0.063 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -63.5 | 124.8 | 178.7 | -61.8 | -176.6 | 0 | 0 | 0 | 110.2 | C91 R99 V121 N124 T127 Y133 F134 | C91-L129 HydrophobicContact CB-CD1 3.64Å; R99-L129 PolarHBondContact NE-O 3.38Å; R99-L129 PolarHBondContact NH2-O 3.2Å; V121-L129 HydrophobicContact CB-CD2 3.98Å; V121-L129 HydrophobicContact CG1-CD2 3.77Å; N124-L129 HydrophobicContact CB-CD2 4.35Å; T127-L129 VanDerWaalsContact C-N 3.25Å; T127-L129 PolarHBondContact O-N 3.29Å; L129-Y133 HydrophobicContact CB-CD1 4.35Å; L129-Y133 HydrophobicContact CD1-CD1 4.14Å; L129-Y133 HydrophobicContact CD1-CE1 3.96Å; L129-F134 HydrophobicContact CB-CE2 3.58Å; L129-F134 HydrophobicContact CB-CZ 4.02Å; L129-F134 HydrophobicContact CD1-CE2 4.25Å; L129-F134 HydrophobicContact CD1-CZ 3.8Å |
| 130 | S | 95.2 | Very high | 90.3 | Very high | 66 Ų | 66 | 66.2 Ų | 66.2 | 46% | 0.462 | 38% | 0.378 | S | S | . | . | trans | -74.8 | 156.3 | -178.2 | 66.8 | 0 | 0 | 0 | 0 | 112.2 | D128 A132 Y133 F134 | D128-S130 PolarHBondContact O-N 3.21Å; S130-A132 PolarHBondContact O-N 3.32Å; S130-Y133 WeakPolarHBondContact O-CB 3.42Å; S130-Y133 PolarHBondContact O-N 2.96Å; S130-Y133 PolarHBondContact OG-N 3.36Å; S130-F134 WeakPolarHBondContact O-CD2 3.34Å | ||
| 131 | D | 92.9 | Very high | 88.2 | Confident | 113 Ų | 113 | 70.3 Ų | 70.3 | 60% | 0.604 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -23.9 | 176 | -55.7 | -70.2 | 0 | 0 | 0 | 112.3 | R99 F134 S135 | R99-D131 IonicContact CZ-OD1 2.79Å; R99-D131 VanDerWaalsContact CZ-OD1 3.25Å; R99-D131 IonicContact NH1-OD1 2.7Å; R99-D131 PolarHBondContact NH1-OD1 3.18Å; R99-D131 VanDerWaalsContact NH2-CG 3.32Å; R99-D131 IonicContact NH2-OD1 3.49Å; R99-D131 PolarHBondContact NH2-OD1 2.75Å; R99-D131 IonicContact NH2-OD2 2.92Å; R99-D131 PolarHBondContact NH2-OD2 2.83Å; D131-F134 CarbonylContact O-C 3.5Å; D131-F134 PolarHBondContact O-N 3.18Å; D131-F134 VanDerWaalsContact O-N 3.1Å; D131-S135 PolarHBondContact O-N 2.81Å; D131-S135 VanDerWaalsContact O-N 3.14Å |
| 132 | A | 92.5 | Very high | 85.6 | Confident | 70 Ų | 70 | 75.1 Ų | 75.1 | 58% | 0.579 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -36.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S130 F134 S135 | S130-A132 PolarHBondContact O-N 3.32Å; A132-F134 PolarHBondContact O-N 3.31Å; A132-S135 VanDerWaalsContact O-CB 3.29Å; A132-S135 WeakPolarHBondContact O-CB 3.4Å; A132-S135 PolarHBondContact O-N 2.79Å; A132-S135 PolarHBondContact O-OG 3.33Å |
| 133 | Y | 94.4 | Very high | 82.9 | Confident | 53 Ų | 53 | 81.3 Ų | 81.3 | 21% | 0.208 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -30.2 | 171.6 | 173.9 | -94.4 | 0 | 0 | 0 | 111.6 | C91 P118 V121 L129 S130 Y136 | C91-Y133 WeakPolarHBondContact O-CE1 3.37Å; C91-Y133 PolarHBondContact O-OH 3.21Å; P118-Y133 WeakPolarHBondContact CG-OH 3.44Å; V121-Y133 HydrophobicContact CG1-CD2 4.28Å; V121-Y133 HydrophobicContact CG1-CE2 3.67Å; L129-Y133 HydrophobicContact CB-CD1 4.35Å; L129-Y133 HydrophobicContact CD1-CD1 4.14Å; L129-Y133 HydrophobicContact CD1-CE1 3.96Å; S130-Y133 WeakPolarHBondContact O-CB 3.42Å; S130-Y133 PolarHBondContact O-N 2.96Å; S130-Y133 PolarHBondContact OG-N 3.36Å; Y133-Y136 WeakPolarHBondContact O-CD1 3.47Å; Y133-Y136 WeakPolarHBondContact O-CE1 3.12Å |
| 134 | F | 94.2 | Very high | 80.4 | Confident | 6 Ų | 6 | 83.6 Ų | 83.6 | 3% | 0.026 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 5.2 | 178.8 | -66 | -70.2 | 0 | 0 | 0 | 114.6 | I95 Q96 L129 S130 D131 A132 Y136 C137 | I95-F134 HydrophobicContact CG2-CE1 3.7Å; I95-F134 HydrophobicContact CG2-CZ 3.67Å; Q96-F134 HydrophobicContact CG-CD1 3.92Å; Q96-F134 HydrophobicContact CG-CE1 4.37Å; Q96-F134 HydrophobicContact CG-CG 4.32Å; L129-F134 HydrophobicContact CB-CE2 3.58Å; L129-F134 HydrophobicContact CB-CZ 4.02Å; L129-F134 HydrophobicContact CD1-CE2 4.25Å; L129-F134 HydrophobicContact CD1-CZ 3.8Å; S130-F134 WeakPolarHBondContact O-CD2 3.34Å; D131-F134 CarbonylContact O-C 3.5Å; D131-F134 PolarHBondContact O-N 3.18Å; D131-F134 VanDerWaalsContact O-N 3.1Å; A132-F134 PolarHBondContact O-N 3.31Å; F134-Y136 VanDerWaalsContact C-N 3.26Å; F134-Y136 PolarHBondContact O-N 3.1Å; F134-C137 VanDerWaalsContact O-CB 3.26Å; F134-C137 WeakPolarHBondContact O-CB 3.26Å; F134-C137 PolarHBondContact O-N 2.8Å |
| 135 | S | 92.1 | Very high | 77.6 | Confident | 75 Ų | 75 | 85.4 Ų | 85.4 | 52% | 0.524 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -55.5 | -36.9 | -175.1 | 54 | 0 | 0 | 0 | 0 | 114 | D131 A132 C137 T138 | D131-S135 PolarHBondContact O-N 2.81Å; D131-S135 VanDerWaalsContact O-N 3.14Å; A132-S135 VanDerWaalsContact O-CB 3.29Å; A132-S135 WeakPolarHBondContact O-CB 3.4Å; A132-S135 PolarHBondContact O-N 2.79Å; A132-S135 PolarHBondContact O-OG 3.33Å; S135-C137 VanDerWaalsContact C-N 3.27Å; S135-C137 PolarHBondContact O-N 3.34Å; S135-T138 PolarHBondContact O-OG1 3.12Å |
| 136 | Y | 87.3 | Confident | 75 | Confident | 106 Ų | 106 | 89.6 Ų | 89.6 | 42% | 0.416 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -74.1 | -10.6 | 178.2 | 64.9 | -97.1 | 0 | 0 | 0 | 114.4 | C93 Y133 F134 T138 F139 | C93-Y136 VanDerWaalsContact SG-CE2 3.52Å; Y133-Y136 WeakPolarHBondContact O-CD1 3.47Å; Y133-Y136 WeakPolarHBondContact O-CE1 3.12Å; F134-Y136 VanDerWaalsContact C-N 3.26Å; F134-Y136 PolarHBondContact O-N 3.1Å; Y136-T138 PolarHBondContact O-N 2.92Å; Y136-F139 WeakPolarHBondContact O-CD2 2.98Å |
| 137 | C | 87 | Confident | 72.7 | Confident | 24 Ų | 24 | 96.2 Ų | 96.2 | 16% | 0.162 | 54% | 0.536 | C | S | . | . | G | 310 helix | trans | -79.3 | -2.9 | -178.8 | -63.8 | 0 | 0 | 0 | 0 | 113.9 | C93 F134 S135 | C93-C137 WeakPolarHBondContact CA-SG 3.13Å; C93-C137 HydrophobicContact CB-CB 3.55Å; C93-C137 WeakPolarHBondContact CB-SG 3.41Å; C93-C137 WeakPolarHBondContact SG-CA 3.3Å; C93-C137 WeakPolarHBondContact SG-CB 3.36Å; C93-C137 CovalentContact SG-SG 2.03Å; C93-C137 PolarHBondContact SG-SG 2.76Å; F134-C137 VanDerWaalsContact O-CB 3.26Å; F134-C137 WeakPolarHBondContact O-CB 3.26Å; F134-C137 PolarHBondContact O-N 2.8Å; S135-C137 VanDerWaalsContact C-N 3.27Å; S135-C137 PolarHBondContact O-N 3.34Å |
| 138 | T | 72.4 | Confident | 70.8 | Confident | 114 Ų | 114 | 98.9 Ų | 98.9 | 70% | 0.699 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -89 | -4 | 176.2 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | S135 Y136 | S135-T138 PolarHBondContact O-OG1 3.12Å; Y136-T138 PolarHBondContact O-N 2.92Å |
| 139 | F | 61.3 | Low | 68.8 | Low | 163 Ų | 163 | 95.9 Ų | 95.9 | 72% | 0.715 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -65 | 123.4 | 169.9 | -68.1 | -56.8 | 0 | 0 | 0 | 109.8 | Y136 | Y136-F139 WeakPolarHBondContact O-CD2 2.98Š|
| 140 | P | 55.6 | Low | 67.1 | Low | 104 Ų | 104 | 100.3 Ų | 100.3 | 68% | 0.675 | 58% | 0.582 | S | S | * | * | trans | -68.7 | 154.6 | -170.9 | 27 | -35.1 | 0 | 0 | 0 | 112.2 | V142 | P140-V142 HydrophobicContact CG-CG2 4.38Å; P140-V142 PolarHBondContact O-N 2.96Å | ||
| 141 | L | 51.3 | Low | 65.6 | Low | 186 Ų | 186 | 101.7 Ų | 101.7 | 97% | 0.974 | 59% | 0.587 | S | S | * | * | trans | -67.8 | 66.6 | 169.4 | -72.8 | 168.3 | 0 | 0 | 0 | 111.6 | H143 | L141-H143 PolarHBondContact O-N 2.7Š| ||
| 142 | V | 42.8 | Very low | 64.4 | Low | 111 Ų | 111 | 103.7 Ų | 103.7 | 67% | 0.673 | 59% | 0.587 | S | S | * | * | trans | -70.4 | 119.1 | 157.4 | 178.9 | 0 | 0 | 0 | 0 | 106.9 | P140 | P140-V142 HydrophobicContact CG-CG2 4.38Å; P140-V142 PolarHBondContact O-N 2.96Å | ||
| 143 | H | 40.9 | Very low | 63.1 | Low | 166 Ų | 166 | 104.7 Ų | 104.7 | 77% | 0.769 | 59% | 0.586 | S | S | * | * | trans | -47.9 | 144.3 | 176.3 | -155.8 | -83 | 0 | 0 | 0 | 111.5 | L141 T145 | L141-H143 PolarHBondContact O-N 2.7Å; H143-T145 PolarHBondContact O-N 3.05Å; H143-T145 PolarHBondContact O-OG1 2.89Å | ||
| 144 | Q | 44.4 | Very low | 62.1 | Low | 190 Ų | 190 | 105.1 Ų | 105.1 | 89% | 0.888 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -51.9 | 94 | -173.1 | -71.1 | 177.3 | -25.8 | 0 | 0 | 113.3 | ||
| 145 | T | 38.2 | Very low | 61.6 | Low | 106 Ų | 106 | 112.4 Ų | 112.4 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | trans | -132.3 | 57.9 | 173.2 | 50.5 | 0 | 0 | 0 | 0 | 110.8 | H143 T147 | H143-T145 PolarHBondContact O-N 3.05Å; H143-T145 PolarHBondContact O-OG1 2.89Å; T145-T147 PolarHBondContact O-N 3.01Å | ||
| 146 | S | 45 | Very low | 61 | Low | 94 Ų | 94 | 112 Ų | 112 | 66% | 0.657 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 11.6 | 98.8 | 157.8 | -172.1 | 0 | 0 | 0 | 0 | 116.6 | S148 | S146-S148 VanDerWaalsContact O-CB 3.26Å; S146-S148 WeakPolarHBondContact O-CB 3.49Å; S146-S148 PolarHBondContact O-N 3.48Å |
| 147 | T | 48.2 | Very low | 60.8 | Low | 139 Ų | 139 | 110.7 Ų | 110.7 | 85% | 0.853 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.4 | 2.9 | 148.2 | 46.8 | 0 | 0 | 0 | 0 | 120.1 | T145 | T145-T147 PolarHBondContact O-N 3.01Š|
| 148 | S | 57.8 | Low | 60.9 | Low | 65 Ų | 65 | 114.8 Ų | 114.8 | 46% | 0.455 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.3 | -13.9 | -162.5 | -164.1 | 0 | 0 | 0 | 0 | 114.1 | S146 C150 V151 Y152 | S146-S148 VanDerWaalsContact O-CB 3.26Å; S146-S148 WeakPolarHBondContact O-CB 3.49Å; S146-S148 PolarHBondContact O-N 3.48Å; S148-C150 PolarHBondContact O-N 3.28Å; S148-V151 PolarHBondContact O-N 2.85Å; S148-V151 VanDerWaalsContact O-N 3.12Å; S148-Y152 VanDerWaalsContact O-CB 3.26Å; S148-Y152 WeakPolarHBondContact O-CB 3.3Å; S148-Y152 PolarHBondContact O-N 3.17Å |
| 149 | G | 55.5 | Low | 61.8 | Low | 50 Ų | 50 | 111.2 Ų | 111.2 | 52% | 0.515 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -52.6 | -51.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V151 V153 | G149-V151 PolarHBondContact O-N 3.14Å; G149-V153 WeakPolarHBondContact O-CG2 3.29Å; G149-V153 PolarHBondContact O-N 3.46Å |
| 150 | C | 59.8 | Low | 63.2 | Low | 105 Ų | 105 | 106.7 Ų | 106.7 | 71% | 0.709 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.8 | -36.7 | 178.5 | -56 | 0 | 0 | 0 | 0 | 112.9 | S148 S154 | S148-C150 PolarHBondContact O-N 3.28Å; C150-S154 WeakPolarHBondContact O-CB 3.39Å; C150-S154 PolarHBondContact O-N 2.71Å; C150-S154 PolarHBondContact O-OG 3.2Å |
| 151 | V | 64.1 | Low | 65.1 | Low | 96 Ų | 96 | 105.9 Ų | 105.9 | 58% | 0.582 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72 | -42 | -179.1 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | S148 G149 S154 Y155 | S148-V151 PolarHBondContact O-N 2.85Å; S148-V151 VanDerWaalsContact O-N 3.12Å; G149-V151 PolarHBondContact O-N 3.14Å; V151-S154 PolarHBondContact O-N 3.46Å; V151-Y155 WeakPolarHBondContact O-CB 3.35Å; V151-Y155 PolarHBondContact O-N 3.01Å |
| 152 | Y | 67.1 | Low | 67.1 | Low | 155 Ų | 155 | 102.3 Ų | 102.3 | 61% | 0.608 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.2 | -41.8 | 176.5 | -176 | -107.8 | 0 | 0 | 0 | 112.2 | S148 Y155 N156 | S148-Y152 VanDerWaalsContact O-CB 3.26Å; S148-Y152 WeakPolarHBondContact O-CB 3.3Å; S148-Y152 PolarHBondContact O-N 3.17Å; Y152-Y155 PolarHBondContact O-N 2.83Å; Y152-N156 WeakPolarHBondContact CD1-ND2 3.26Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.42Å; Y152-N156 VanDerWaalsContact CE1-ND2 3.25Å; Y152-N156 WeakPolarHBondContact CE1-ND2 3.33Å; Y152-N156 VanDerWaalsContact CE2-ND2 3.27Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.28Å; Y152-N156 WeakPolarHBondContact O-CB 3.42Å; Y152-N156 PolarHBondContact O-N 3.33Å; Y152-N156 PolarHBondContact O-ND2 3.01Å |
| 153 | V | 66.5 | Low | 69.7 | Low | 91 Ų | 91 | 102 Ų | 102 | 55% | 0.552 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.9 | -44 | 173.1 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | G149 T157 | G149-V153 WeakPolarHBondContact O-CG2 3.29Å; G149-V153 PolarHBondContact O-N 3.46Å; V153-T157 WeakPolarHBondContact O-CB 3.32Å; V153-T157 WeakPolarHBondContact O-CG2 3.35Å; V153-T157 PolarHBondContact O-N 2.93Å; V153-T157 PolarHBondContact O-OG1 3.42Å |
| 154 | S | 72.8 | Confident | 72.3 | Confident | 62 Ų | 62 | 97 Ų | 97 | 43% | 0.434 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.7 | -45.1 | 176 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | C150 V151 T157 I158 | C150-S154 WeakPolarHBondContact O-CB 3.39Å; C150-S154 PolarHBondContact O-N 2.71Å; C150-S154 PolarHBondContact O-OG 3.2Å; V151-S154 PolarHBondContact O-N 3.46Å; S154-T157 WeakPolarHBondContact CA-OG1 3.43Å; S154-T157 PolarHBondContact O-OG1 2.76Å; S154-I158 WeakPolarHBondContact O-CB 3.4Å; S154-I158 WeakPolarHBondContact O-CD1 3.3Å; S154-I158 VanDerWaalsContact O-CG1 3.22Å; S154-I158 WeakPolarHBondContact O-CG1 3.37Å; S154-I158 PolarHBondContact O-N 2.85Å |
| 155 | Y | 82.8 | Confident | 74.8 | Confident | 159 Ų | 159 | 90.9 Ų | 90.9 | 62% | 0.624 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.8 | -49.3 | 178.5 | 178.6 | -97.7 | 0 | 0 | 0 | 112.1 | V151 Y152 T157 I158 A159 | V151-Y155 WeakPolarHBondContact O-CB 3.35Å; V151-Y155 PolarHBondContact O-N 3.01Å; Y152-Y155 PolarHBondContact O-N 2.83Å; Y155-T157 PolarHBondContact O-N 3.26Å; Y155-I158 PolarHBondContact O-N 3.35Å; Y155-A159 VanDerWaalsContact O-CB 3.3Å; Y155-A159 WeakPolarHBondContact O-CB 3.37Å; Y155-A159 PolarHBondContact O-N 3Å |
| 156 | N | 80.2 | Confident | 77.6 | Confident | 65 Ų | 65 | 90 Ų | 90 | 35% | 0.348 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.8 | -34.2 | -177.6 | -71.3 | -46.8 | 0 | 0 | 0 | 112.7 | Y152 S160 | Y152-N156 WeakPolarHBondContact CD1-ND2 3.26Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.42Å; Y152-N156 VanDerWaalsContact CE1-ND2 3.25Å; Y152-N156 WeakPolarHBondContact CE1-ND2 3.33Å; Y152-N156 VanDerWaalsContact CE2-ND2 3.27Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.28Å; Y152-N156 WeakPolarHBondContact O-CB 3.42Å; Y152-N156 PolarHBondContact O-N 3.33Å; Y152-N156 PolarHBondContact O-ND2 3.01Å; N156-S160 WeakPolarHBondContact O-CB 3.44Å; N156-S160 PolarHBondContact O-N 3.26Å |
| 157 | T | 83.8 | Confident | 80 | Confident | 79 Ų | 79 | 89.4 Ų | 89.4 | 49% | 0.485 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.8 | -44.3 | 174.1 | 47.7 | 0 | 0 | 0 | 0 | 111.8 | V153 S154 Y155 S160 V161 | V153-T157 WeakPolarHBondContact O-CB 3.32Å; V153-T157 WeakPolarHBondContact O-CG2 3.35Å; V153-T157 PolarHBondContact O-N 2.93Å; V153-T157 PolarHBondContact O-OG1 3.42Å; S154-T157 WeakPolarHBondContact CA-OG1 3.43Å; S154-T157 PolarHBondContact O-OG1 2.76Å; Y155-T157 PolarHBondContact O-N 3.26Å; T157-S160 PolarHBondContact O-N 3.48Å; T157-V161 WeakPolarHBondContact O-CG2 3.22Å; T157-V161 PolarHBondContact O-N 3.3Å |
| 158 | I | 88.3 | Confident | 82.3 | Confident | 110 Ų | 110 | 87.1 Ų | 87.1 | 56% | 0.564 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.8 | -46.8 | 174.4 | -68 | 166 | 0 | 0 | 0 | 111.1 | S154 Y155 S160 V161 M162 | S154-I158 WeakPolarHBondContact O-CB 3.4Å; S154-I158 WeakPolarHBondContact O-CD1 3.3Å; S154-I158 VanDerWaalsContact O-CG1 3.22Å; S154-I158 WeakPolarHBondContact O-CG1 3.37Å; S154-I158 PolarHBondContact O-N 2.85Å; Y155-I158 PolarHBondContact O-N 3.35Å; I158-S160 VanDerWaalsContact C-N 3.33Å; I158-S160 PolarHBondContact O-N 3.03Å; I158-V161 PolarHBondContact O-N 3.45Å; I158-M162 HydrophobicContact CG2-CG 4.41Å; I158-M162 WeakPolarHBondContact O-CG 3.48Å; I158-M162 PolarHBondContact O-N 3.03Å |
| 159 | A | 90.4 | Very high | 84.1 | Confident | 40 Ų | 40 | 89.8 Ų | 89.8 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y155 M162 L163 | Y155-A159 VanDerWaalsContact O-CB 3.3Å; Y155-A159 WeakPolarHBondContact O-CB 3.37Å; Y155-A159 PolarHBondContact O-N 3Å; A159-M162 PolarHBondContact O-N 2.74Å; A159-L163 WeakPolarHBondContact O-CB 3.36Å; A159-L163 PolarHBondContact O-N 3.34Å |
| 160 | S | 92.1 | Very high | 86 | Confident | 67 Ų | 67 | 92.1 Ų | 92.1 | 47% | 0.469 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 174.5 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | N156 T157 I158 M162 L163 C164 | N156-S160 WeakPolarHBondContact O-CB 3.44Å; N156-S160 PolarHBondContact O-N 3.26Å; T157-S160 PolarHBondContact O-N 3.48Å; I158-S160 VanDerWaalsContact C-N 3.33Å; I158-S160 PolarHBondContact O-N 3.03Å; S160-M162 PolarHBondContact O-N 2.94Å; S160-L163 PolarHBondContact O-N 2.95Å; S160-C164 WeakPolarHBondContact O-CB 3.33Å; S160-C164 PolarHBondContact O-N 3.38Å; S160-C164 PolarHBondContact O-SG 2.92Å; S160-C164 VanDerWaalsContact O-SG 3.35Å |
| 161 | V | 95.1 | Very high | 87.6 | Confident | 88 Ų | 88 | 91.6 Ų | 91.6 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 175.9 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | T157 I158 L163 C164 C165 | T157-V161 WeakPolarHBondContact O-CG2 3.22Å; T157-V161 PolarHBondContact O-N 3.3Å; I158-V161 PolarHBondContact O-N 3.45Å; V161-L163 PolarHBondContact O-N 3.46Å; V161-C164 PolarHBondContact O-N 2.97Å; V161-C165 PolarHBondContact O-N 3.46Å; V161-C165 PolarHBondContact O-SG 3.27Å |
| 162 | M | 94.1 | Very high | 89 | Confident | 111 Ų | 111 | 95.8 Ų | 95.8 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 178.3 | -69.1 | -60.1 | -66.9 | 0 | 0 | 112.3 | I158 A159 S160 C165 I166 | I158-M162 HydrophobicContact CG2-CG 4.41Å; I158-M162 WeakPolarHBondContact O-CG 3.48Å; I158-M162 PolarHBondContact O-N 3.03Å; A159-M162 PolarHBondContact O-N 2.74Å; S160-M162 PolarHBondContact O-N 2.94Å; M162-C165 PolarHBondContact O-N 3.09Å; M162-I166 VanDerWaalsContact O-CG1 3.32Å; M162-I166 WeakPolarHBondContact O-CG1 3.37Å; M162-I166 PolarHBondContact O-N 3.41Å |
| 163 | L | 95.9 | Very high | 90.1 | Very high | 104 Ų | 104 | 91.3 Ų | 91.3 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.5 | -179.5 | 61.3 | 0 | 0 | 0 | 111.6 | A159 S160 V161 C165 I166 I167 | A159-L163 WeakPolarHBondContact O-CB 3.36Å; A159-L163 PolarHBondContact O-N 3.34Å; S160-L163 PolarHBondContact O-N 2.95Å; V161-L163 PolarHBondContact O-N 3.46Å; L163-C165 PolarHBondContact O-N 2.98Å; L163-I166 PolarHBondContact O-N 3.48Å; L163-I167 HydrophobicContact CD1-CD1 4.18Å; L163-I167 HydrophobicContact CD1-CG1 4.48Å; L163-I167 HydrophobicContact CG-CD1 3.98Å; L163-I167 WeakPolarHBondContact O-CG1 3.44Å; L163-I167 PolarHBondContact O-N 3.35Å |
| 164 | C | 96.4 | Very high | 91 | Very high | 62 Ų | 62 | 92.4 Ų | 92.4 | 42% | 0.419 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 174.8 | -74.8 | 0 | 0 | 0 | 0 | 112.1 | S160 V161 I166 I167 I168 | S160-C164 WeakPolarHBondContact O-CB 3.33Å; S160-C164 PolarHBondContact O-N 3.38Å; S160-C164 PolarHBondContact O-SG 2.92Å; S160-C164 VanDerWaalsContact O-SG 3.35Å; V161-C164 PolarHBondContact O-N 2.97Å; C164-I166 PolarHBondContact O-N 3.02Å; C164-I167 PolarHBondContact O-N 3.37Å; C164-I168 WeakPolarHBondContact O-CD1 3.22Å; C164-I168 VanDerWaalsContact O-CG1 3.26Å; C164-I168 WeakPolarHBondContact O-CG1 3.2Å; C164-I168 PolarHBondContact O-N 3.41Å |
| 165 | C | 96.6 | Very high | 91.5 | Very high | 60 Ų | 60 | 93.7 Ų | 93.7 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 174.8 | -71.3 | 0 | 0 | 0 | 0 | 112.2 | V161 M162 L163 I168 L169 | V161-C165 PolarHBondContact O-N 3.46Å; V161-C165 PolarHBondContact O-SG 3.27Å; M162-C165 PolarHBondContact O-N 3.09Å; L163-C165 PolarHBondContact O-N 2.98Å; C165-I168 PolarHBondContact O-N 3.16Å; C165-L169 WeakPolarHBondContact O-CG 3.46Å; C165-L169 PolarHBondContact O-N 3.49Å |
| 166 | I | 96.4 | Very high | 91.3 | Very high | 89 Ų | 89 | 91.8 Ų | 91.8 | 46% | 0.456 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 176.6 | -67.9 | 162.9 | 0 | 0 | 0 | 110.9 | M162 L163 C164 I168 L169 L170 | M162-I166 VanDerWaalsContact O-CG1 3.32Å; M162-I166 WeakPolarHBondContact O-CG1 3.37Å; M162-I166 PolarHBondContact O-N 3.41Å; L163-I166 PolarHBondContact O-N 3.48Å; C164-I166 PolarHBondContact O-N 3.02Å; I166-I168 PolarHBondContact O-N 3.32Å; I166-L169 PolarHBondContact O-N 3Å; I166-L170 HydrophobicContact CG2-CD1 3.92Å; I166-L170 HydrophobicContact CG2-CG 4.41Å; I166-L170 WeakPolarHBondContact O-CB 3.48Å; I166-L170 WeakPolarHBondContact O-CG 3.45Å; I166-L170 PolarHBondContact O-N 3.02Å |
| 167 | I | 96.6 | Very high | 91.1 | Very high | 81 Ų | 81 | 91.2 Ų | 91.2 | 42% | 0.415 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 177 | -68.7 | 165.7 | 0 | 0 | 0 | 110.8 | L163 C164 L170 L171 | L163-I167 HydrophobicContact CD1-CD1 4.18Å; L163-I167 HydrophobicContact CD1-CG1 4.48Å; L163-I167 HydrophobicContact CG-CD1 3.98Å; L163-I167 WeakPolarHBondContact O-CG1 3.44Å; L163-I167 PolarHBondContact O-N 3.35Å; C164-I167 PolarHBondContact O-N 3.37Å; I167-L170 PolarHBondContact O-N 3.41Å; I167-L171 HydrophobicContact CG2-CD1 3.9Å; I167-L171 HydrophobicContact CG2-CG 4.37Å; I167-L171 WeakPolarHBondContact O-CB 3.45Å; I167-L171 VanDerWaalsContact O-CG 3.29Å; I167-L171 WeakPolarHBondContact O-CG 3.48Å; I167-L171 PolarHBondContact O-N 3.45Å |
| 168 | I | 96.3 | Very high | 90.6 | Very high | 91 Ų | 91 | 97.2 Ų | 97.2 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 176.7 | -69.5 | 163.5 | 0 | 0 | 0 | 110.8 | C164 C165 I166 L170 L171 W172 | C164-I168 WeakPolarHBondContact O-CD1 3.22Å; C164-I168 VanDerWaalsContact O-CG1 3.26Å; C164-I168 WeakPolarHBondContact O-CG1 3.2Å; C164-I168 PolarHBondContact O-N 3.41Å; C165-I168 PolarHBondContact O-N 3.16Å; I166-I168 PolarHBondContact O-N 3.32Å; I168-L170 PolarHBondContact O-N 3Å; I168-L171 PolarHBondContact O-N 3.02Å; I168-W172 WeakPolarHBondContact O-CB 3.4Å; I168-W172 PolarHBondContact O-N 2.92Å |
| 169 | L | 95.3 | Very high | 89.7 | Confident | 121 Ų | 121 | 100.1 Ų | 100.1 | 63% | 0.634 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.8 | -39.1 | 178.1 | -71.2 | 170.5 | 0 | 0 | 0 | 112.7 | C165 I166 W172 S173 | C165-L169 WeakPolarHBondContact O-CG 3.46Å; C165-L169 PolarHBondContact O-N 3.49Å; I166-L169 PolarHBondContact O-N 3Å; L169-W172 PolarHBondContact O-N 3.49Å; L169-S173 PolarHBondContact O-N 2.92Å; L169-S173 PolarHBondContact O-OG 3.47Å |
| 170 | L | 94.8 | Very high | 88.2 | Confident | 98 Ų | 98 | 101.7 Ų | 101.7 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.8 | -40.8 | 174.8 | -70.7 | 171.9 | 0 | 0 | 0 | 112.1 | I166 I167 I168 W172 S173 L174 | I166-L170 HydrophobicContact CG2-CD1 3.92Å; I166-L170 HydrophobicContact CG2-CG 4.41Å; I166-L170 WeakPolarHBondContact O-CB 3.48Å; I166-L170 WeakPolarHBondContact O-CG 3.45Å; I166-L170 PolarHBondContact O-N 3.02Å; I167-L170 PolarHBondContact O-N 3.41Å; I168-L170 PolarHBondContact O-N 3Å; L170-W172 VanDerWaalsContact C-N 3.35Å; L170-S173 PolarHBondContact O-N 3.32Å; L170-S173 PolarHBondContact O-OG 3.36Å; L170-S173 VanDerWaalsContact O-OG 3.04Å; L170-L174 WeakPolarHBondContact O-CB 3.14Å; L170-L174 VanDerWaalsContact O-CG 3.24Å; L170-L174 WeakPolarHBondContact O-CG 3.4Å; L170-L174 PolarHBondContact O-N 3.35Å |
| 171 | L | 93.9 | Very high | 86.6 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 173.7 | -70.8 | 172.5 | 0 | 0 | 0 | 111.2 | I167 I168 L174 I175 | I167-L171 HydrophobicContact CG2-CD1 3.9Å; I167-L171 HydrophobicContact CG2-CG 4.37Å; I167-L171 WeakPolarHBondContact O-CB 3.45Å; I167-L171 VanDerWaalsContact O-CG 3.29Å; I167-L171 WeakPolarHBondContact O-CG 3.48Å; I167-L171 PolarHBondContact O-N 3.45Å; I168-L171 PolarHBondContact O-N 3.02Å; L171-L174 PolarHBondContact O-N 2.92Å; L171-I175 WeakPolarHBondContact O-CB 3.28Å; L171-I175 WeakPolarHBondContact O-CD1 3.24Å; L171-I175 WeakPolarHBondContact O-CG1 3.32Å; L171-I175 PolarHBondContact O-N 3.04Å |
| 172 | W | 93.3 | Very high | 84.6 | Confident | 185 Ų | 185 | 106.8 Ų | 106.8 | 70% | 0.701 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.4 | -42.3 | 174.6 | -88.8 | 58.8 | 0 | 0 | 0 | 112.5 | I168 L169 L170 I175 L176 | I168-W172 WeakPolarHBondContact O-CB 3.4Å; I168-W172 PolarHBondContact O-N 2.92Å; L169-W172 PolarHBondContact O-N 3.49Å; L170-W172 VanDerWaalsContact C-N 3.35Å; W172-I175 PolarHBondContact O-N 3.48Å; W172-L176 VanDerWaalsContact O-CB 3.28Å; W172-L176 WeakPolarHBondContact O-CB 3.32Å; W172-L176 PolarHBondContact O-N 3.42Å |
| 173 | S | 90.6 | Very high | 82.5 | Confident | 61 Ų | 61 | 105.5 Ų | 105.5 | 43% | 0.427 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68 | -36.5 | 177.3 | 72.1 | 0 | 0 | 0 | 0 | 112.1 | L169 L170 L176 A177 | L169-S173 PolarHBondContact O-N 2.92Å; L169-S173 PolarHBondContact O-OG 3.47Å; L170-S173 PolarHBondContact O-N 3.32Å; L170-S173 PolarHBondContact O-OG 3.36Å; L170-S173 VanDerWaalsContact O-OG 3.04Å; S173-L176 PolarHBondContact O-N 2.98Å; S173-A177 VanDerWaalsContact O-CB 3.26Å; S173-A177 WeakPolarHBondContact O-CB 3.41Å; S173-A177 PolarHBondContact O-N 3.48Å |
| 174 | L | 86.3 | Confident | 80.6 | Confident | 113 Ų | 113 | 106.3 Ų | 106.3 | 59% | 0.592 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.3 | -38.9 | 172.4 | -70.8 | 169.9 | 0 | 0 | 0 | 112.7 | L170 L171 R178 | L170-L174 WeakPolarHBondContact O-CB 3.14Å; L170-L174 VanDerWaalsContact O-CG 3.24Å; L170-L174 WeakPolarHBondContact O-CG 3.4Å; L170-L174 PolarHBondContact O-N 3.35Å; L171-L174 PolarHBondContact O-N 2.92Å; L174-R178 WeakPolarHBondContact O-CB 3.4Å; L174-R178 PolarHBondContact O-N 3.31Å |
| 175 | I | 81.4 | Confident | 78 | Confident | 90 Ų | 90 | 112.9 Ų | 112.9 | 46% | 0.462 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.2 | -41 | 173.4 | -72.1 | 163.2 | 0 | 0 | 0 | 110.5 | L171 W172 R178 K179 | L171-I175 WeakPolarHBondContact O-CB 3.28Å; L171-I175 WeakPolarHBondContact O-CD1 3.24Å; L171-I175 WeakPolarHBondContact O-CG1 3.32Å; L171-I175 PolarHBondContact O-N 3.04Å; W172-I175 PolarHBondContact O-N 3.48Å; I175-R178 PolarHBondContact O-N 3.42Å; I175-K179 HydrophobicContact CG2-CD 4.19Å; I175-K179 WeakPolarHBondContact O-CB 3.29Å; I175-K179 WeakPolarHBondContact O-CG 3.45Å; I175-K179 PolarHBondContact O-N 3.29Å |
| 176 | L | 80.4 | Confident | 75.9 | Confident | 119 Ų | 119 | 116.3 Ų | 116.3 | 62% | 0.623 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.5 | -49 | 176 | -176.1 | 61.8 | 0 | 0 | 0 | 110.7 | W172 S173 R178 K179 S180 | W172-L176 VanDerWaalsContact O-CB 3.28Å; W172-L176 WeakPolarHBondContact O-CB 3.32Å; W172-L176 PolarHBondContact O-N 3.42Å; S173-L176 PolarHBondContact O-N 2.98Å; L176-R178 VanDerWaalsContact C-N 3.3Å; L176-R178 PolarHBondContact O-N 2.89Å; L176-K179 CarbonylContact O-C 3.41Å; L176-K179 PolarHBondContact O-N 3.32Å; L176-S180 WeakPolarHBondContact O-CB 3.5Å; L176-S180 PolarHBondContact O-N 2.89Å; L176-S180 PolarHBondContact O-OG 2.84Å |
| 177 | A | 75.6 | Confident | 73.2 | Confident | 53 Ų | 53 | 119.9 Ų | 119.9 | 44% | 0.438 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -58.9 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S173 S180 T181 | S173-A177 VanDerWaalsContact O-CB 3.26Å; S173-A177 WeakPolarHBondContact O-CB 3.41Å; S173-A177 PolarHBondContact O-N 3.48Å; A177-S180 WeakPolarHBondContact CA-OG 3.26Å; A177-S180 CarbonylContact O-C 3.57Å; A177-S180 PolarHBondContact O-N 3.35Å; A177-S180 PolarHBondContact O-OG 3.47Å; A177-T181 PolarHBondContact O-N 2.93Å |
| 178 | R | 73.3 | Confident | 71.2 | Confident | 204 Ų | 204 | 123.6 Ų | 123.6 | 77% | 0.77 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74 | -24.7 | 175.8 | -174.2 | 173.7 | 177.8 | 178.3 | -0.5 | 113.4 | L174 I175 L176 T181 | L174-R178 WeakPolarHBondContact O-CB 3.4Å; L174-R178 PolarHBondContact O-N 3.31Å; I175-R178 PolarHBondContact O-N 3.42Å; L176-R178 VanDerWaalsContact C-N 3.3Å; L176-R178 PolarHBondContact O-N 2.89Å; R178-T181 PolarHBondContact O-OG1 2.9Å |
| 179 | K | 69.3 | Low | 68.4 | Low | 171 Ų | 171 | 129.1 Ų | 129.1 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -81.9 | -26.1 | 168.9 | -74.8 | 177.7 | 177.9 | -176.3 | 0 | 112 | I175 L176 | I175-K179 HydrophobicContact CG2-CD 4.19Å; I175-K179 WeakPolarHBondContact O-CB 3.29Å; I175-K179 WeakPolarHBondContact O-CG 3.45Å; I175-K179 PolarHBondContact O-N 3.29Å; L176-K179 CarbonylContact O-C 3.41Å; L176-K179 PolarHBondContact O-N 3.32Å |
| 180 | S | 58.4 | Low | 65.7 | Low | 73 Ų | 73 | 125.9 Ų | 125.9 | 51% | 0.51 | 61% | 0.611 | S | S | . | * | trans | -95.5 | 24.4 | 178.1 | 78.3 | 0 | 0 | 0 | 0 | 113.4 | L176 A177 F182 | L176-S180 WeakPolarHBondContact O-CB 3.5Å; L176-S180 PolarHBondContact O-N 2.89Å; L176-S180 PolarHBondContact O-OG 2.84Å; A177-S180 WeakPolarHBondContact CA-OG 3.26Å; A177-S180 CarbonylContact O-C 3.57Å; A177-S180 PolarHBondContact O-N 3.35Å; A177-S180 PolarHBondContact O-OG 3.47Å; S180-F182 PolarHBondContact O-N 2.96Å | ||
| 181 | T | 58 | Low | 63 | Low | 83 Ų | 83 | 126.8 Ų | 126.8 | 51% | 0.509 | 63% | 0.625 | S | S | . | * | trans | -67.3 | 85 | 161.8 | 48.7 | 0 | 0 | 0 | 0 | 108.3 | A177 R178 T183 | A177-T181 PolarHBondContact O-N 2.93Å; R178-T181 PolarHBondContact O-OG1 2.9Å; T181-T183 PolarHBondContact O-N 3.35Å | ||
| 182 | F | 54.5 | Low | 60.2 | Low | 179 Ų | 179 | 124.8 Ų | 124.8 | 79% | 0.785 | 63% | 0.627 | S | S | * | * | trans | -65.6 | 110.5 | -168.7 | -164.4 | -88.4 | 0 | 0 | 0 | 110.6 | S180 I184 | S180-F182 PolarHBondContact O-N 2.96Å; F182-I184 HydrophobicContact CD1-CG1 3.9Å; F182-I184 HydrophobicContact CE1-CG1 4.45Å; F182-I184 PolarHBondContact O-N 3.31Å | ||
| 183 | T | 48.4 | Very low | 57.2 | Low | 84 Ų | 84 | 125 Ų | 125 | 52% | 0.515 | 63% | 0.633 | S | S | . | * | trans | -69.5 | 98.2 | 171.6 | 47.4 | 0 | 0 | 0 | 0 | 109 | T181 Y185 | T181-T183 PolarHBondContact O-N 3.35Å; T183-Y185 VanDerWaalsContact O-CD2 3.27Å; T183-Y185 WeakPolarHBondContact O-CD2 3.5Å; T183-Y185 PolarHBondContact O-N 3.36Å; T183-Y185 VanDerWaalsContact O-N 3.1Å; T183-Y185 VanDerWaalsContact OG1-CE2 3.32Å; T183-Y185 WeakPolarHBondContact OG1-CE2 3.2Å | ||
| 184 | I | 56.5 | Low | 54.6 | Low | 121 Ų | 121 | 130.1 Ų | 130.1 | 62% | 0.621 | 65% | 0.651 | S | S | * | * | trans | -70.2 | 103.6 | 172.1 | -57.5 | 173.8 | 0 | 0 | 0 | 107.6 | F182 V186 | F182-I184 HydrophobicContact CD1-CG1 3.9Å; F182-I184 HydrophobicContact CE1-CG1 4.45Å; F182-I184 PolarHBondContact O-N 3.31Å; I184-V186 HydrophobicContact CG2-CG2 4Å | ||
| 185 | Y | 42.8 | Very low | 52.5 | Low | 200 Ų | 200 | 129.3 Ų | 129.3 | 78% | 0.784 | 66% | 0.66 | S | S | * | * | trans | -78.9 | 115.2 | 166.5 | -66.6 | -86.6 | 0 | 0 | 0 | 108.3 | T183 | T183-Y185 VanDerWaalsContact O-CD2 3.27Å; T183-Y185 WeakPolarHBondContact O-CD2 3.5Å; T183-Y185 PolarHBondContact O-N 3.36Å; T183-Y185 VanDerWaalsContact O-N 3.1Å; T183-Y185 VanDerWaalsContact OG1-CE2 3.32Å; T183-Y185 WeakPolarHBondContact OG1-CE2 3.2Å | ||
| 186 | V | 52.1 | Low | 50.2 | Low | 132 Ų | 132 | 132.6 Ų | 132.6 | 80% | 0.8 | 68% | 0.679 | S | S | * | * | trans | -97.2 | 100.1 | 171.6 | -178.7 | 0 | 0 | 0 | 0 | 106.7 | I184 | I184-V186 HydrophobicContact CG2-CG2 4Š| ||
| 187 | E | 40.5 | Very low | 47.8 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 77% | 0.766 | 69% | 0.685 | S | S | * | * | trans | -92.3 | 124.2 | 179.4 | -167.7 | 166.6 | 167.6 | 0 | 0 | 111 | R189 | E187-R189 PolarHBondContact O-N 2.85Š| ||
| 188 | E | 53.4 | Low | 45.9 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | trans | -90.4 | 100.5 | -169.5 | -177 | 178.8 | -146.2 | 0 | 0 | 112.2 | ||||
| 189 | R | 38.4 | Very low | 44 | Very low | 206 Ų | 206 | 140.1 Ų | 140.1 | 78% | 0.777 | 72% | 0.716 | S | S | * | * | trans | -146 | 132.6 | 159.1 | -69.7 | -164 | -159.7 | 160.5 | 16.8 | 113.3 | E187 | E187-R189 PolarHBondContact O-N 2.85Š| ||
| 190 | H | 38 | Very low | 42.3 | Very low | 54 Ų | 54 | 136.7 Ų | 136.7 | 25% | 0.25 | 71% | 0.714 | C | S | . | * | trans | -159.2 | 97.1 | -177 | -90.9 | -11.5 | 0 | 0 | 0 | 112.5 | K236 | H190-K236 HydrophobicContact CB-CB 3.93Å; H190-K236 HydrophobicContact CB-CD 3.67Å; H190-K236 HydrophobicContact CB-CG 3.69Å; H190-K236 WeakPolarHBondContact O-CD 3.38Å; H190-K236 WeakPolarHBondContact O-CE 3.16Å; H190-K236 PolarHBondContact O-NZ 2.91Å | ||
| 191 | S | 37.8 | Very low | 41.2 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -176.1 | 129.1 | 163.7 | 49.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 192 | G | 34.5 | Very low | 40.3 | Very low | 51 Ų | 51 | 146.8 Ų | 146.8 | 53% | 0.526 | 75% | 0.748 | S | S | . | * | cis | -178.4 | -168.3 | -2.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 193 | F | 31 | Very low | 39.4 | Very low | 190 Ų | 190 | 143.6 Ų | 143.6 | 83% | 0.833 | 75% | 0.746 | S | S | * | * | trans | 63.8 | 148.6 | 178.8 | -87.2 | -116.7 | 0 | 0 | 0 | 115.1 | ||||
| 194 | E | 35.6 | Very low | 38.7 | Very low | 169 Ų | 169 | 149.4 Ų | 149.4 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | cis | -145.8 | 164.3 | -17.3 | -162.8 | 162.6 | -159.3 | 0 | 0 | 107.6 | ||||
| 195 | A | 42.5 | Very low | 37.6 | Very low | 96 Ų | 96 | 151.4 Ų | 151.4 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | trans | -134.9 | 134.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 196 | D | 33.4 | Very low | 37.2 | Very low | 159 Ų | 159 | 151.9 Ų | 151.9 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -150.4 | 154.4 | 170.6 | -149.1 | -23.5 | 0 | 0 | 0 | 113.7 | ||||
| 197 | S | 29.3 | Very low | 36.2 | Very low | 109 Ų | 109 | 157 Ų | 157 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | 61.5 | 110 | 166.5 | -77.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 198 | L | 36.3 | Very low | 35.8 | Very low | 173 Ų | 173 | 158.6 Ų | 158.6 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | trans | -89.6 | 143.6 | 172.2 | -67 | 161 | 0 | 0 | 0 | 112.2 | ||||
| 199 | R | 33.6 | Very low | 34.6 | Very low | 251 Ų | 251 | 156.9 Ų | 156.9 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | trans | -134.9 | 121.8 | 141.8 | -97.5 | -173.6 | -171 | -164.7 | 3 | 113 | ||||
| 200 | S | 32.3 | Very low | 34.2 | Very low | 100 Ų | 100 | 154.9 Ų | 154.9 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -50 | 148.7 | 170.5 | -152.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 201 | L | 36.3 | Very low | 33.7 | Very low | 166 Ų | 166 | 157.2 Ų | 157.2 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | -152 | 150.3 | 59.9 | -81.2 | 150.5 | 0 | 0 | 0 | 114.8 | |||||
| 202 | K | 38.5 | Very low | 33.1 | Very low | 201 Ų | 201 | 159.7 Ų | 159.7 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -92.4 | 171.7 | 170.3 | -102.4 | -170.5 | 174.1 | 175.8 | 0 | 111.9 | ||||
| 203 | P | 35.6 | Very low | 32.9 | Very low | 113 Ų | 113 | 164.8 Ų | 164.8 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -104.7 | 163.3 | -141.7 | 39.7 | -39.5 | 0 | 0 | 0 | 118.2 | ||||
| 204 | K | 35.4 | Very low | 32.7 | Very low | 206 Ų | 206 | 161.2 Ų | 161.2 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | trans | 32 | 117.5 | 151.8 | -87.2 | -178.8 | 172.1 | 173.2 | 0 | 119.5 | ||||
| 205 | H | 32.3 | Very low | 32.2 | Very low | 162 Ų | 162 | 157 Ų | 157 | 75% | 0.75 | 81% | 0.806 | S | S | * | * | trans | -148.1 | 147.6 | 149.9 | -155.3 | 48.8 | 0 | 0 | 0 | 115.2 | ||||
| 206 | R | 35.1 | Very low | 31.4 | Very low | 211 Ų | 211 | 160.3 Ų | 160.3 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | 66 | 105.5 | 158.8 | -93.5 | 173.1 | -170.9 | -171.8 | -0.9 | 123.8 | ||||
| 207 | R | 31.4 | Very low | 31 | Very low | 240 Ų | 240 | 158.4 Ų | 158.4 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | 10.3 | 126.6 | 137 | -72.3 | 179.4 | 168 | 168 | -4.5 | 120.8 | ||||
| 208 | K | 31.8 | Very low | 31 | Very low | 196 Ų | 196 | 157.1 Ų | 157.1 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | 160.5 | 161.7 | 121.8 | -91.7 | -165.5 | 174.9 | -174.9 | 0 | 108.7 | |||||
| 209 | L | 28.3 | Very low | 30.5 | Very low | 125 Ų | 125 | 156.2 Ų | 156.2 | 65% | 0.654 | 80% | 0.801 | S | S | * | * | cis | -176.2 | 145.9 | -26 | -179.7 | 72.4 | 0 | 0 | 0 | 106.7 | ||||
| 210 | H | 29.5 | Very low | 30.1 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 65.1 | 157.3 | 179 | -71.7 | -66.9 | 0 | 0 | 0 | 115 | ||||
| 211 | T | 27.3 | Very low | 29.8 | Very low | 102 Ų | 102 | 151 Ų | 151 | 63% | 0.626 | 79% | 0.791 | S | S | * | * | cis | -150.8 | 170.3 | -10.1 | -115.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 212 | E | 26.1 | Very low | 29.3 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | -4.9 | 142.2 | 165.7 | -57.7 | 171.4 | 138.3 | 0 | 0 | 118.5 | ||||
| 213 | L | 29.3 | Very low | 28.7 | Very low | 157 Ų | 157 | 144.2 Ų | 144.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | -172 | 166 | 66.1 | -170.1 | 59.9 | 0 | 0 | 0 | 112.7 | |||||
| 214 | S | 25.8 | Very low | 28.2 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -53.8 | 150.9 | -179.9 | -43.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 215 | G | 26 | Very low | 27.7 | Very low | 80 Ų | 80 | 142.5 Ų | 142.5 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -177.6 | 112.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 216 | L | 26.2 | Very low | 27.4 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -58.4 | 167.6 | 178.4 | -75.9 | 141.6 | 0 | 0 | 0 | 117.2 | ||||
| 217 | S | 25.4 | Very low | 27 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | 68.3 | 164.9 | 148 | 64.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 218 | A | 28.6 | Very low | 26.7 | Very low | 82 Ų | 82 | 132 Ų | 132 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | cis | -171.5 | 163 | -36.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 219 | D | 24.9 | Very low | 26.4 | Very low | 154 Ų | 154 | 128.8 Ų | 128.8 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | trans | 58.4 | 178 | 169.1 | -79.7 | -34.8 | 0 | 0 | 0 | 117 | ||||
| 220 | S | 26.1 | Very low | 26.4 | Very low | 85 Ų | 85 | 131 Ų | 131 | 59% | 0.594 | 76% | 0.757 | S | S | * | * | -169.9 | 157 | -55 | -90.6 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 221 | D | 26.1 | Very low | 26.4 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | trans | 63.8 | 157 | 163 | -72.8 | -27.4 | 0 | 0 | 0 | 117.8 | ||||
| 222 | S | 26.3 | Very low | 26.9 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | cis | -155.9 | 144.5 | -8 | 42.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 223 | V | 24.5 | Very low | 27.2 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | 49.6 | 155.8 | 128.7 | -168.3 | 0 | 0 | 0 | 0 | 121 | |||||
| 224 | V | 26.1 | Very low | 27.5 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | 96 | 136.5 | 167.7 | -174.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 225 | L | 24.5 | Very low | 27.6 | Very low | 147 Ų | 147 | 129.8 Ų | 129.8 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | cis | -171.9 | 159.9 | -35.2 | -170.7 | 61.6 | 0 | 0 | 0 | 106 | ||||
| 226 | S | 25.8 | Very low | 28.1 | Very low | 76 Ų | 76 | 132.4 Ų | 132.4 | 53% | 0.531 | 74% | 0.736 | S | S | . | * | trans | 70.1 | 121 | 160.2 | -74.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 227 | E | 27.6 | Very low | 28.3 | Very low | 174 Ų | 174 | 129.7 Ų | 129.7 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | 80 | 137 | 94.5 | -71.3 | 170.5 | 101 | 0 | 0 | 113.3 | |||||
| 228 | D | 24 | Very low | 28.7 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | cis | -162.7 | -177.8 | -20.6 | -158.6 | -7.8 | 0 | 0 | 0 | 108 | ||||
| 229 | L | 27 | Very low | 29.1 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | trans | 80 | 130.5 | 143.8 | -153 | 62.3 | 0 | 0 | 0 | 120.8 | ||||
| 230 | E | 28.3 | Very low | 29.9 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 80% | 0.799 | 73% | 0.725 | S | S | * | * | trans | 70.2 | 132.3 | 151.2 | -78.3 | 169.6 | 156.6 | 0 | 0 | 125.5 | ||||
| 231 | R | 28.5 | Very low | 30.9 | Very low | 232 Ų | 232 | 136.9 Ų | 136.9 | 88% | 0.875 | 73% | 0.732 | S | S | * | * | trans | -105.8 | -171.2 | 155.1 | -38.3 | 173.7 | -170.7 | 152.3 | 0.8 | 107.3 | ||||
| 232 | P | 38.6 | Very low | 32.3 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | cis | -119.1 | -146.7 | -13.8 | 23.6 | 3.7 | 0 | 0 | 0 | 109.6 | ||||
| 233 | L | 31.3 | Very low | 33.7 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | cis | -135.5 | 169.7 | 4.8 | -75.7 | 166.8 | 0 | 0 | 0 | 107.7 | ||||
| 234 | V | 35 | Very low | 34.9 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 69% | 0.691 | 71% | 0.71 | S | S | * | * | cis | 85.4 | 89.7 | 23.2 | -171.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 235 | S | 29.3 | Very low | 36.4 | Very low | 78 Ų | 78 | 131.7 Ų | 131.7 | 55% | 0.545 | 69% | 0.69 | S | S | . | * | trans | -174.7 | 145.4 | 167.9 | -176 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 236 | K | 35.1 | Very low | 37.8 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 58% | 0.583 | 67% | 0.672 | S | S | * | * | cis | -146.8 | 133.3 | -15.5 | 158.4 | 173.5 | -152.5 | 161.3 | 0 | 108.4 | H190 | H190-K236 HydrophobicContact CB-CB 3.93Å; H190-K236 HydrophobicContact CB-CD 3.67Å; H190-K236 HydrophobicContact CB-CG 3.69Å; H190-K236 WeakPolarHBondContact O-CD 3.38Å; H190-K236 WeakPolarHBondContact O-CE 3.16Å; H190-K236 PolarHBondContact O-NZ 2.91Å | ||
| 237 | S | 31.3 | Very low | 39 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | trans | -179.7 | 123.4 | 142.6 | 26.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 238 | N | 33.8 | Very low | 40.3 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 53% | 0.529 | 66% | 0.664 | S | S | . | * | trans | -80.5 | 159.1 | 173.9 | -70.1 | 7.7 | 0 | 0 | 0 | 111.2 | ||||
| 239 | M | 37.3 | Very low | 41.8 | Very low | 182 Ų | 182 | 122.8 Ų | 122.8 | 90% | 0.897 | 64% | 0.642 | S | S | * | * | trans | -143.1 | 121.6 | 155.9 | -117.4 | -70.9 | -173.6 | 0 | 0 | 107.7 | ||||
| 240 | E | 42.2 | Very low | 43 | Very low | 168 Ų | 168 | 120.4 Ų | 120.4 | 79% | 0.785 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 140.4 | -174.8 | -135.4 | 95 | 140.1 | 0 | 0 | 111.8 | ||
| 241 | L | 46.4 | Very low | 44.3 | Very low | 144 Ų | 144 | 120.9 Ų | 120.9 | 75% | 0.754 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 124.1 | 175.1 | -134.4 | 79.1 | 0 | 0 | 0 | 112 | V245 | L241-V245 HydrophobicContact CD2-CG1 4.3Š|
| 242 | L | 55.1 | Low | 45.3 | Very low | 107 Ų | 107 | 117.6 Ų | 117.6 | 56% | 0.56 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 132.5 | -174.2 | -165.5 | 75.1 | 0 | 0 | 0 | 112.3 | Q244 V245 | L242-Q244 HydrophobicContact CD2-CB 4.48Å; L242-Q244 HydrophobicContact CD2-CG 4.41Å; L242-Q244 PolarHBondContact O-N 3.45Å; L242-V245 PolarHBondContact O-N 2.83Å; L242-V245 VanDerWaalsContact O-N 3.09Å |
| 243 | P | 56.2 | Low | 46 | Very low | 96 Ų | 96 | 117.9 Ų | 117.9 | 62% | 0.623 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.5 | -17.8 | -170.8 | 21.5 | -33.6 | 0 | 0 | 0 | 115.5 | V245 L246 E247 | P243-V245 PolarHBondContact O-N 3.27Å; P243-L246 WeakPolarHBondContact O-CB 3.34Å; P243-L246 PolarHBondContact O-N 3.26Å; P243-L246 VanDerWaalsContact O-N 3.16Å; P243-E247 PolarHBondContact O-N 2.99Å |
| 244 | Q | 49.2 | Very low | 46.6 | Very low | 136 Ų | 136 | 116.8 Ų | 116.8 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.8 | -27 | 175.3 | -64.3 | 177 | -6.1 | 0 | 0 | 113.1 | L242 T248 | L242-Q244 HydrophobicContact CD2-CB 4.48Å; L242-Q244 HydrophobicContact CD2-CG 4.41Å; L242-Q244 PolarHBondContact O-N 3.45Å; Q244-T248 PolarHBondContact O-N 3.23Å; Q244-T248 PolarHBondContact O-OG1 3.32Å |
| 245 | V | 57.1 | Low | 47.6 | Very low | 67 Ų | 67 | 114.5 Ų | 114.5 | 41% | 0.406 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.3 | -40.6 | 175.7 | -177 | 0 | 0 | 0 | 0 | 110.9 | L241 L242 P243 T248 L249 | L241-V245 HydrophobicContact CD2-CG1 4.3Å; L242-V245 PolarHBondContact O-N 2.83Å; L242-V245 VanDerWaalsContact O-N 3.09Å; P243-V245 PolarHBondContact O-N 3.27Å; V245-T248 PolarHBondContact O-N 3.35Å; V245-L249 HydrophobicContact CG1-CD1 4.08Å; V245-L249 WeakPolarHBondContact O-CG 3.32Å; V245-L249 PolarHBondContact O-N 3.3Å |
| 246 | L | 54.8 | Low | 48.5 | Very low | 72 Ų | 72 | 118.6 Ų | 118.6 | 38% | 0.377 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.8 | -46.5 | -179 | 173.2 | 55.9 | 0 | 0 | 0 | 112 | P243 T248 L249 H250 I257 | P243-L246 WeakPolarHBondContact O-CB 3.34Å; P243-L246 PolarHBondContact O-N 3.26Å; P243-L246 VanDerWaalsContact O-N 3.16Å; L246-T248 VanDerWaalsContact C-N 3.3Å; L246-T248 PolarHBondContact O-N 3.44Å; L246-L249 PolarHBondContact O-N 2.84Å; L246-H250 PolarHBondContact O-N 3.07Å; L246-I257 HydrophobicContact CD1-CB 3.63Å; L246-I257 HydrophobicContact CD1-CD1 3.99Å; L246-I257 HydrophobicContact CD1-CG1 3.72Å |
| 247 | E | 51.8 | Low | 49.3 | Very low | 136 Ų | 136 | 116.9 Ų | 116.9 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.6 | -38.1 | 178.6 | -167.3 | 178.9 | -165.7 | 0 | 0 | 111.7 | P243 H250 K251 | P243-E247 PolarHBondContact O-N 2.99Å; E247-H250 PolarHBondContact O-N 3.43Å; E247-K251 VanDerWaalsContact O-CB 3.32Å; E247-K251 WeakPolarHBondContact O-CB 3.27Å; E247-K251 PolarHBondContact O-N 3.36Å |
| 248 | T | 54.4 | Low | 50 | Low | 88 Ų | 88 | 120.2 Ų | 120.2 | 54% | 0.54 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.7 | -42.5 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 112 | Q244 V245 L246 K251 K252 | Q244-T248 PolarHBondContact O-N 3.23Å; Q244-T248 PolarHBondContact O-OG1 3.32Å; V245-T248 PolarHBondContact O-N 3.35Å; L246-T248 VanDerWaalsContact C-N 3.3Å; L246-T248 PolarHBondContact O-N 3.44Å; T248-K251 PolarHBondContact O-N 3.17Å; T248-K252 VanDerWaalsContact O-CB 3.28Å; T248-K252 WeakPolarHBondContact O-CB 3.32Å; T248-K252 PolarHBondContact O-N 2.91Å |
| 249 | L | 54.4 | Low | 50.4 | Low | 58 Ų | 58 | 120.2 Ų | 120.2 | 30% | 0.304 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.4 | -43.2 | 174.9 | -77.4 | 167.3 | 0 | 0 | 0 | 112.1 | V245 L246 H253 N254 I255 | V245-L249 HydrophobicContact CG1-CD1 4.08Å; V245-L249 WeakPolarHBondContact O-CG 3.32Å; V245-L249 PolarHBondContact O-N 3.3Å; L246-L249 PolarHBondContact O-N 2.84Å; L249-H253 CarbonylContact O-C 3.51Å; L249-H253 WeakPolarHBondContact O-CA 3.42Å; L249-H253 WeakPolarHBondContact O-CB 3.39Å; L249-H253 PolarHBondContact O-N 2.77Å; L249-N254 PolarHBondContact O-N 2.78Å; L249-I255 HydrophobicContact CD2-CD1 4.48Å |
| 250 | H | 53.2 | Low | 50.5 | Low | 78 Ų | 78 | 121.3 Ų | 121.3 | 36% | 0.361 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.1 | -48.3 | 176.3 | -175.9 | -109.7 | 0 | 0 | 0 | 111.5 | L246 E247 K252 N254 I255 K256 | L246-H250 PolarHBondContact O-N 3.07Å; E247-H250 PolarHBondContact O-N 3.43Å; H250-K252 PolarHBondContact O-N 3.1Å; H250-N254 WeakPolarHBondContact O-CA 3.38Å; H250-N254 PolarHBondContact O-N 2.82Å; H250-I255 VanDerWaalsContact CA-O 3.28Å; H250-I255 WeakPolarHBondContact CA-O 3.38Å; H250-I255 WeakPolarHBondContact CB-O 3.26Å; H250-I255 PolarHBondContact CD2-O 3.01Å; H250-K256 WeakPolarHBondContact CD2-CG 3.28Å; H250-K256 WeakPolarHBondContact NE2-CE 3.43Å; H250-K256 WeakPolarHBondContact NE2-CG 3.33Å |
| 251 | K | 54.7 | Low | 50.9 | Low | 182 Ų | 182 | 119 Ų | 119 | 79% | 0.791 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.4 | -29.1 | -175.1 | -166.7 | 171.2 | -175.4 | 173.5 | 0 | 114.1 | E247 T248 | E247-K251 VanDerWaalsContact O-CB 3.32Å; E247-K251 WeakPolarHBondContact O-CB 3.27Å; E247-K251 PolarHBondContact O-N 3.36Å; T248-K251 PolarHBondContact O-N 3.17Å |
| 252 | K | 50.1 | Low | 51.2 | Low | 162 Ų | 162 | 117.7 Ų | 117.7 | 70% | 0.704 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -104.7 | -25.9 | -175.3 | -162.7 | 176 | -176.7 | -178.9 | 0 | 114.5 | T248 H250 | T248-K252 VanDerWaalsContact O-CB 3.28Å; T248-K252 WeakPolarHBondContact O-CB 3.32Å; T248-K252 PolarHBondContact O-N 2.91Å; H250-K252 PolarHBondContact O-N 3.1Å |
| 253 | H | 53.8 | Low | 51 | Low | 119 Ų | 119 | 118.3 Ų | 118.3 | 55% | 0.551 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -126.5 | 2.6 | -176.9 | -61.4 | -78.2 | 0 | 0 | 0 | 113.9 | L249 I255 | L249-H253 CarbonylContact O-C 3.51Å; L249-H253 WeakPolarHBondContact O-CA 3.42Å; L249-H253 WeakPolarHBondContact O-CB 3.39Å; L249-H253 PolarHBondContact O-N 2.77Å; H253-I255 HydrophobicContact CB-CD1 4Å; H253-I255 HydrophobicContact CB-CG1 4.19Å; H253-I255 PolarHBondContact O-N 3.44Å |
| 254 | N | 44.3 | Very low | 50.7 | Low | 124 Ų | 124 | 119.6 Ų | 119.6 | 66% | 0.663 | 60% | 0.601 | S | S | * | * | trans | 59 | 27.2 | 177.6 | -155.8 | 19.6 | 0 | 0 | 0 | 114.3 | L249 H250 | L249-N254 PolarHBondContact O-N 2.78Å; H250-N254 WeakPolarHBondContact O-CA 3.38Å; H250-N254 PolarHBondContact O-N 2.82Å | ||
| 255 | I | 55.4 | Low | 50.7 | Low | 67 Ų | 67 | 118.6 Ų | 118.6 | 34% | 0.344 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -89 | 123.4 | 178.2 | -62.8 | 169.4 | 0 | 0 | 0 | 109.1 | L249 H250 H253 I257 | L249-I255 HydrophobicContact CD2-CD1 4.48Å; H250-I255 VanDerWaalsContact CA-O 3.28Å; H250-I255 WeakPolarHBondContact CA-O 3.38Å; H250-I255 WeakPolarHBondContact CB-O 3.26Å; H250-I255 PolarHBondContact CD2-O 3.01Å; H253-I255 HydrophobicContact CB-CD1 4Å; H253-I255 HydrophobicContact CB-CG1 4.19Å; H253-I255 PolarHBondContact O-N 3.44Å; I255-I257 HydrophobicContact CG2-CG1 4.22Å |
| 256 | K | 47.3 | Very low | 50.3 | Low | 163 Ų | 163 | 122 Ų | 122 | 71% | 0.709 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 122.6 | 167.7 | -76.5 | -173.7 | 175.5 | -177 | 0 | 110 | H250 | H250-K256 WeakPolarHBondContact CD2-CG 3.28Å; H250-K256 WeakPolarHBondContact NE2-CE 3.43Å; H250-K256 WeakPolarHBondContact NE2-CG 3.33Å |
| 257 | I | 52.8 | Low | 50 | Low | 99 Ų | 99 | 125.6 Ų | 125.6 | 51% | 0.508 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -103.6 | 139.7 | 163.1 | -46.7 | -175.8 | 0 | 0 | 0 | 106.9 | L246 I255 | L246-I257 HydrophobicContact CD1-CB 3.63Å; L246-I257 HydrophobicContact CD1-CD1 3.99Å; L246-I257 HydrophobicContact CD1-CG1 3.72Å; I255-I257 HydrophobicContact CG2-CG1 4.22Å |
| 258 | K | 44.6 | Very low | 49.9 | Very low | 177 Ų | 177 | 124.8 Ų | 124.8 | 77% | 0.77 | 63% | 0.628 | S | S | * | * | trans | -126.8 | 105.1 | -179.2 | -160.2 | -169.8 | -177.5 | -151.2 | 0 | 108.2 | ||||
| 259 | A | 42.7 | Very low | 49.5 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 82% | 0.818 | 64% | 0.635 | S | S | * | * | trans | -69.4 | 151.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 260 | N | 40.4 | Very low | 49 | Very low | 206 Ų | 206 | 134.2 Ų | 134.2 | 100% | 1.102 | 67% | 0.665 | S | S | * | * | trans | -152 | 0 | -176.3 | -159.1 | 112.5 | 0 | 0 | 0 | 109.6 |
Retrieved 260 of 260 residues in 124.5 ms
(Link to these results)