| 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 | 58.1 | Low | 80.9 | Confident | 230 Ų | 230 | 149.2 Ų | 149.2 | 100% | 1.133 | 79% | 0.787 | S | S | * | * | 0 | 127.1 | 0 | -62.1 | 176.9 | -173.6 | 0 | 0 | 107.4 | L3 | M1-L3 PolarHBondContact O-N 3.36Š| |||
| 2 | P | 73.2 | Confident | 80.9 | Confident | 124 Ų | 124 | 146.3 Ų | 146.3 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | trans | -67.8 | 125.5 | 174 | 27.5 | -30.3 | 0 | 0 | 0 | 108.8 | H4 | P2-H4 PolarHBondContact O-N 3.41Š| ||
| 3 | L | 78.7 | Confident | 81.2 | Confident | 158 Ų | 158 | 139.5 Ų | 139.5 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | -66.5 | 126.1 | 173.1 | -75.6 | 158.9 | 0 | 0 | 0 | 108.4 | M1 V5 | M1-L3 PolarHBondContact O-N 3.36Å; L3-V5 HydrophobicContact CB-CG2 3.87Å; L3-V5 PolarHBondContact O-N 3.04Å | ||
| 4 | H | 82.3 | Confident | 81.8 | Confident | 204 Ų | 204 | 134.9 Ų | 134.9 | 94% | 0.944 | 73% | 0.73 | S | S | * | * | trans | -72.1 | 77.5 | 171 | -98.7 | -84.8 | 0 | 0 | 0 | 109.6 | P2 | P2-H4 PolarHBondContact O-N 3.41Š| ||
| 5 | V | 86.8 | Confident | 82.4 | Confident | 121 Ų | 121 | 134.5 Ų | 134.5 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | trans | -87.1 | 114.5 | 175.3 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | L3 | L3-V5 HydrophobicContact CB-CG2 3.87Å; L3-V5 PolarHBondContact O-N 3.04Å | ||
| 6 | K | 85.6 | Confident | 83 | Confident | 187 Ų | 187 | 132.9 Ų | 132.9 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | trans | -79.3 | 130 | 171.1 | -172.2 | 177.3 | 179.5 | -179.2 | 0 | 108.8 | P8 | K6-P8 WeakPolarHBondContact O-CD 3.42Š| ||
| 7 | W | 88.4 | Confident | 83.4 | Confident | 183 Ų | 183 | 134.9 Ų | 134.9 | 69% | 0.693 | 72% | 0.717 | S | S | * | * | trans | -60.3 | 120.3 | 176.3 | -173.8 | -114.1 | 0 | 0 | 0 | 110.1 | F9 | W7-F9 VanDerWaalsContact C-N 3.33Å; W7-F9 HydrophobicContact CH2-CD2 4.46Å; W7-F9 HydrophobicContact CZ2-CB 4.45Å; W7-F9 AromaticContact CZ2-CD2 3.96Å; W7-F9 HydrophobicContact CZ2-CD2 3.96Å; W7-F9 PolarHBondContact NE1-O 2.69Å; W7-F9 PolarHBondContact O-N 2.86Å | ||
| 8 | P | 86.5 | Confident | 83.7 | Confident | 100 Ų | 100 | 130.1 Ų | 130.1 | 65% | 0.649 | 69% | 0.694 | S | S | * | * | trans | -80.2 | -13.9 | -171.4 | 30.5 | -34.5 | 0 | 0 | 0 | 113.4 | K6 | K6-P8 WeakPolarHBondContact O-CD 3.42Š| ||
| 9 | F | 84.1 | Confident | 84.2 | Confident | 139 Ų | 139 | 128.6 Ų | 128.6 | 61% | 0.61 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -99.7 | 154.6 | -177.1 | -61.3 | -68.8 | 0 | 0 | 0 | 112 | W7 | W7-F9 VanDerWaalsContact C-N 3.33Å; W7-F9 HydrophobicContact CH2-CD2 4.46Å; W7-F9 HydrophobicContact CZ2-CB 4.45Å; W7-F9 AromaticContact CZ2-CD2 3.96Å; W7-F9 HydrophobicContact CZ2-CD2 3.96Å; W7-F9 PolarHBondContact NE1-O 2.69Å; W7-F9 PolarHBondContact O-N 2.86Å |
| 10 | P | 83.1 | Confident | 84.6 | Confident | 91 Ų | 91 | 124.9 Ų | 124.9 | 59% | 0.591 | 67% | 0.674 | S | S | * | * | trans | -62.4 | 144.5 | 174 | 27.3 | -35 | 0 | 0 | 0 | 110.6 | V12 | P10-V12 PolarHBondContact O-N 3.41Š| ||
| 11 | A | 82.8 | Confident | 84.9 | Confident | 104 Ų | 104 | 120.3 Ų | 120.3 | 86% | 0.86 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -63.3 | -29.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 12 | V | 81.5 | Confident | 86.4 | Confident | 115 Ų | 115 | 111.1 Ų | 111.1 | 70% | 0.697 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -133.8 | 129.6 | 176.6 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | P10 | P10-V12 PolarHBondContact O-N 3.41Š|
| 13 | P | 84.1 | Confident | 87.4 | Confident | 58 Ų | 58 | 108.9 Ų | 108.9 | 38% | 0.377 | 59% | 0.593 | S | S | . | * | trans | -67.1 | 149.4 | 177.8 | 26.2 | -33.1 | 0 | 0 | 0 | 111.7 | W17 | P13-W17 HydrophobicContact CB-CG 4.42Š| ||
| 14 | P | 90 | Very high | 88.1 | Confident | 75 Ų | 75 | 105.3 Ų | 105.3 | 49% | 0.487 | 58% | 0.578 | S | S | . | * | trans | -56.3 | 153.1 | 171.8 | -24 | 33.8 | 0 | 0 | 0 | 112.6 | T16 W17 T18 | P14-T16 VanDerWaalsContact C-N 3.32Å; P14-T16 PolarHBondContact O-N 2.95Å; P14-W17 HydrophobicContact CB-CB 4.36Å; P14-W17 WeakPolarHBondContact O-CB 3.28Å; P14-W17 PolarHBondContact O-N 3.49Å; P14-T18 PolarHBondContact O-N 3.32Å; P14-T18 PolarHBondContact O-OG1 2.87Å; P14-T18 VanDerWaalsContact O-OG1 3.04Å | ||
| 15 | L | 90.5 | Very high | 88.6 | Confident | 129 Ų | 129 | 97.8 Ų | 97.8 | 68% | 0.675 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.3 | -42.7 | 178 | -179.8 | 64 | 0 | 0 | 0 | 111.8 | W17 T18 L19 | L15-W17 VanDerWaalsContact C-N 3.33Å; L15-W17 PolarHBondContact O-N 3.32Å; L15-T18 PolarHBondContact O-N 3.07Å; L15-T18 VanDerWaalsContact O-N 3.16Å; L15-L19 HydrophobicContact CD1-CD1 4.33Å; L15-L19 HydrophobicContact CD1-CG 4.31Å; L15-L19 HydrophobicContact CG-CD1 4.01Å; L15-L19 HydrophobicContact CG-CG 4.41Å; L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.14Å |
| 16 | T | 93.1 | Very high | 88.9 | Confident | 109 Ų | 109 | 92 Ų | 92 | 67% | 0.669 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.7 | -42.9 | 178.6 | 50.2 | 0 | 0 | 0 | 0 | 111.9 | P14 L19 A20 | P14-T16 VanDerWaalsContact C-N 3.32Å; P14-T16 PolarHBondContact O-N 2.95Å; T16-L19 PolarHBondContact O-N 3.47Å; T16-A20 WeakPolarHBondContact O-CB 3.49Å; T16-A20 PolarHBondContact O-N 3Å |
| 17 | W | 89.5 | Confident | 89.3 | Confident | 166 Ų | 166 | 88.2 Ų | 88.2 | 63% | 0.629 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61 | -49.3 | 173.2 | 177.3 | -94.4 | 0 | 0 | 0 | 111.1 | P13 P14 L15 L19 A20 S21 | P13-W17 HydrophobicContact CB-CG 4.42Å; P14-W17 HydrophobicContact CB-CB 4.36Å; P14-W17 WeakPolarHBondContact O-CB 3.28Å; P14-W17 PolarHBondContact O-N 3.49Å; L15-W17 VanDerWaalsContact C-N 3.33Å; L15-W17 PolarHBondContact O-N 3.32Å; W17-L19 VanDerWaalsContact C-N 3.29Å; W17-L19 PolarHBondContact O-N 2.85Å; W17-A20 PolarHBondContact O-N 3.2Å; W17-S21 PolarHBondContact NE1-OG 3.03Å; W17-S21 WeakPolarHBondContact O-CB 2.8Å; W17-S21 PolarHBondContact O-N 3.42Å; W17-S21 PolarHBondContact O-OG 3Å |
| 18 | T | 88.7 | Confident | 89.6 | Confident | 49 Ų | 49 | 82.7 Ų | 82.7 | 30% | 0.301 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59 | -41.6 | -179.5 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | P14 L15 S22 L90 | P14-T18 PolarHBondContact O-N 3.32Å; P14-T18 PolarHBondContact O-OG1 2.87Å; P14-T18 VanDerWaalsContact O-OG1 3.04Å; L15-T18 PolarHBondContact O-N 3.07Å; L15-T18 VanDerWaalsContact O-N 3.16Å; T18-S22 WeakPolarHBondContact O-CB 3.37Å; T18-S22 PolarHBondContact O-N 2.86Å; T18-S22 PolarHBondContact O-OG 3.25Å; T18-L90 HydrophobicContact CG2-CD1 4.26Å |
| 19 | L | 92 | Very high | 89.9 | Confident | 102 Ų | 102 | 77.9 Ų | 77.9 | 53% | 0.534 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67 | -49.8 | 176.8 | -71.9 | 170.6 | 0 | 0 | 0 | 111.8 | L15 T16 W17 S21 S22 V23 | L15-L19 HydrophobicContact CD1-CD1 4.33Å; L15-L19 HydrophobicContact CD1-CG 4.31Å; L15-L19 HydrophobicContact CG-CD1 4.01Å; L15-L19 HydrophobicContact CG-CG 4.41Å; L15-L19 WeakPolarHBondContact O-CG 3.45Å; L15-L19 PolarHBondContact O-N 3.14Å; T16-L19 PolarHBondContact O-N 3.47Å; W17-L19 VanDerWaalsContact C-N 3.29Å; W17-L19 PolarHBondContact O-N 2.85Å; L19-S21 VanDerWaalsContact C-N 3.34Å; L19-S21 PolarHBondContact O-N 2.92Å; L19-S22 WeakPolarHBondContact O-CB 3.28Å; L19-S22 PolarHBondContact O-N 2.67Å; L19-S22 VanDerWaalsContact O-N 3.11Å; L19-V23 WeakPolarHBondContact O-CG2 3.23Å; L19-V23 PolarHBondContact O-N 3.33Å |
| 20 | A | 93.1 | Very high | 90.4 | Very high | 54 Ų | 54 | 73.7 Ų | 73.7 | 45% | 0.446 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T16 W17 S22 V23 V24 | T16-A20 WeakPolarHBondContact O-CB 3.49Å; T16-A20 PolarHBondContact O-N 3Å; W17-A20 PolarHBondContact O-N 3.2Å; A20-S22 VanDerWaalsContact C-N 3.33Å; A20-S22 PolarHBondContact O-N 3.39Å; A20-V23 PolarHBondContact O-N 3.34Å; A20-V24 WeakPolarHBondContact O-CG2 3.43Å; A20-V24 PolarHBondContact O-N 2.98Å |
| 21 | S | 89.9 | Confident | 91 | Very high | 28 Ų | 28 | 75.7 Ų | 75.7 | 20% | 0.196 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 174.6 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | W17 L19 V23 V24 M25 | W17-S21 PolarHBondContact NE1-OG 3.03Å; W17-S21 WeakPolarHBondContact O-CB 2.8Å; W17-S21 PolarHBondContact O-N 3.42Å; W17-S21 PolarHBondContact O-OG 3Å; L19-S21 VanDerWaalsContact C-N 3.34Å; L19-S21 PolarHBondContact O-N 2.92Å; S21-V23 VanDerWaalsContact C-N 3.31Å; S21-V23 PolarHBondContact O-N 3.14Å; S21-V24 PolarHBondContact O-N 2.85Å; S21-M25 VanDerWaalsContact O-CB 3.29Å; S21-M25 WeakPolarHBondContact O-CB 2.96Å; S21-M25 WeakPolarHBondContact O-CG 3.39Å; S21-M25 PolarHBondContact O-N 3.06Å |
| 22 | S | 90.5 | Very high | 91.5 | Very high | 37 Ų | 37 | 70.8 Ų | 70.8 | 26% | 0.259 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 179.1 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | T18 L19 A20 G26 L90 | T18-S22 WeakPolarHBondContact O-CB 3.37Å; T18-S22 PolarHBondContact O-N 2.86Å; T18-S22 PolarHBondContact O-OG 3.25Å; L19-S22 WeakPolarHBondContact O-CB 3.28Å; L19-S22 PolarHBondContact O-N 2.67Å; L19-S22 VanDerWaalsContact O-N 3.11Å; A20-S22 VanDerWaalsContact C-N 3.33Å; A20-S22 PolarHBondContact O-N 3.39Å; S22-G26 PolarHBondContact O-N 2.87Å; S22-L90 WeakPolarHBondContact OG-CD1 3.31Å; S22-L90 WeakPolarHBondContact OG-CG 3.44Å |
| 23 | V | 94.5 | Very high | 92.1 | Very high | 77 Ų | 77 | 66.7 Ų | 66.7 | 47% | 0.467 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.9 | -49.7 | 179.3 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | L19 A20 S21 M25 G26 L27 | L19-V23 WeakPolarHBondContact O-CG2 3.23Å; L19-V23 PolarHBondContact O-N 3.33Å; A20-V23 PolarHBondContact O-N 3.34Å; S21-V23 VanDerWaalsContact C-N 3.31Å; S21-V23 PolarHBondContact O-N 3.14Å; V23-M25 PolarHBondContact O-N 2.86Å; V23-G26 PolarHBondContact O-N 3.4Å; V23-L27 HydrophobicContact CG1-CD1 3.83Å; V23-L27 HydrophobicContact CG1-CG 4.33Å; V23-L27 WeakPolarHBondContact O-CB 3.41Å; V23-L27 VanDerWaalsContact O-CG 3.28Å; V23-L27 WeakPolarHBondContact O-CG 3.31Å; V23-L27 PolarHBondContact O-N 3.11Å |
| 24 | V | 93.8 | Very high | 92.6 | Very high | 83 Ų | 83 | 69 Ų | 69 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.2 | -49.8 | -179.6 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | A20 S21 G26 L27 V28 | A20-V24 WeakPolarHBondContact O-CG2 3.43Å; A20-V24 PolarHBondContact O-N 2.98Å; S21-V24 PolarHBondContact O-N 2.85Å; V24-G26 VanDerWaalsContact C-N 3.34Å; V24-G26 PolarHBondContact O-N 3.26Å; V24-L27 PolarHBondContact O-N 2.93Å; V24-V28 HydrophobicContact CG1-CG2 4.33Å; V24-V28 VanDerWaalsContact O-CG2 3.31Å; V24-V28 WeakPolarHBondContact O-CG2 3.42Å; V24-V28 PolarHBondContact O-N 3.42Å |
| 25 | M | 91.6 | Very high | 92.8 | Very high | 47 Ų | 47 | 68.7 Ų | 68.7 | 23% | 0.232 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 179.8 | -64.4 | -57.8 | -67.7 | 0 | 0 | 111.6 | S21 V23 G29 W79 L90 M93 | S21-M25 VanDerWaalsContact O-CB 3.29Å; S21-M25 WeakPolarHBondContact O-CB 2.96Å; S21-M25 WeakPolarHBondContact O-CG 3.39Å; S21-M25 PolarHBondContact O-N 3.06Å; V23-M25 PolarHBondContact O-N 2.86Å; M25-G29 PolarHBondContact O-N 3.33Å; M25-W79 HydrophobicContact CE-CH2 3.33Å; M25-W79 HydrophobicContact CE-CZ2 3.57Å; M25-W79 HydrophobicContact CE-CZ3 4.19Å; M25-W79 HydrophobicContact SD-CH2 4.05Å; M25-L90 HydrophobicContact CB-CD2 3.91Å; M25-L90 HydrophobicContact CG-CD2 3.84Å; M25-M93 HydrophobicContact CB-CE 3.83Å; M25-M93 HydrophobicContact CE-CE 3.96Å; M25-M93 HydrophobicContact CE-CG 4.47Å; M25-M93 VanDerWaalsContact O-CE 3.25Å; M25-M93 WeakPolarHBondContact O-CE 3.41Å |
| 26 | G | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S22 V23 V24 T30 | S22-G26 PolarHBondContact O-N 2.87Å; V23-G26 PolarHBondContact O-N 3.4Å; V24-G26 VanDerWaalsContact C-N 3.34Å; V24-G26 PolarHBondContact O-N 3.26Å; G26-T30 VanDerWaalsContact O-CB 3.28Å; G26-T30 WeakPolarHBondContact O-CB 3.41Å; G26-T30 PolarHBondContact O-N 3.03Å; G26-T30 PolarHBondContact O-OG1 3.27Å |
| 27 | L | 95.2 | Very high | 92.8 | Very high | 106 Ų | 106 | 64.3 Ų | 64.3 | 56% | 0.555 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.6 | -49.2 | 179.2 | -71.2 | 175.4 | 0 | 0 | 0 | 111.9 | V23 V24 T30 Y31 W88 | V23-L27 HydrophobicContact CG1-CD1 3.83Å; V23-L27 HydrophobicContact CG1-CG 4.33Å; V23-L27 WeakPolarHBondContact O-CB 3.41Å; V23-L27 VanDerWaalsContact O-CG 3.28Å; V23-L27 WeakPolarHBondContact O-CG 3.31Å; V23-L27 PolarHBondContact O-N 3.11Å; V24-L27 PolarHBondContact O-N 2.93Å; L27-T30 PolarHBondContact O-N 2.77Å; L27-Y31 PolarHBondContact O-N 3.34Å; L27-W88 HydrophobicContact CD2-CH2 4.49Å |
| 28 | V | 93.8 | Very high | 92.9 | Very high | 67 Ų | 67 | 63.6 Ų | 63.6 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | -178.8 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | V24 T30 Y31 S32 W79 | V24-V28 HydrophobicContact CG1-CG2 4.33Å; V24-V28 VanDerWaalsContact O-CG2 3.31Å; V24-V28 WeakPolarHBondContact O-CG2 3.42Å; V24-V28 PolarHBondContact O-N 3.42Å; V28-T30 VanDerWaalsContact C-N 3.34Å; V28-T30 PolarHBondContact O-N 3.42Å; V28-Y31 WeakPolarHBondContact O-CB 3.3Å; V28-Y31 PolarHBondContact O-N 3.02Å; V28-S32 PolarHBondContact O-N 2.66Å; V28-S32 PolarHBondContact O-OG 3.32Å; V28-W79 HydrophobicContact CB-CE3 4.48Å; V28-W79 HydrophobicContact CB-CZ3 3.79Å; V28-W79 HydrophobicContact CG1-CE3 3.98Å; V28-W79 HydrophobicContact CG1-CH2 4.38Å; V28-W79 HydrophobicContact CG1-CZ3 3.41Å; V28-W79 VanDerWaalsContact CG1-CZ3 3.41Å |
| 29 | G | 93.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.1 | -36.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M25 Y31 S32 C33 | M25-G29 PolarHBondContact O-N 3.33Å; G29-Y31 VanDerWaalsContact C-N 3.35Å; G29-S32 WeakPolarHBondContact O-CB 3.31Å; G29-S32 PolarHBondContact O-N 2.8Å; G29-C33 PolarHBondContact O-N 3.27Å |
| 30 | T | 94.8 | Very high | 93.2 | Very high | 50 Ų | 50 | 64.6 Ų | 64.6 | 31% | 0.307 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 174.5 | -58 | 0 | 0 | 0 | 0 | 111.1 | G26 L27 V28 C33 F34 L84 W88 | G26-T30 VanDerWaalsContact O-CB 3.28Å; G26-T30 WeakPolarHBondContact O-CB 3.41Å; G26-T30 PolarHBondContact O-N 3.03Å; G26-T30 PolarHBondContact O-OG1 3.27Å; L27-T30 PolarHBondContact O-N 2.77Å; V28-T30 VanDerWaalsContact C-N 3.34Å; V28-T30 PolarHBondContact O-N 3.42Å; T30-C33 PolarHBondContact O-N 3.24Å; T30-F34 PolarHBondContact O-N 2.82Å; T30-L84 HydrophobicContact CG2-CD2 4.28Å; T30-W88 PolarHBondContact OG1-NE1 3.31Å; T30-W88 VanDerWaalsContact OG1-NE1 3.09Å |
| 31 | Y | 95 | Very high | 93.2 | Very high | 134 Ų | 134 | 70.3 Ų | 70.3 | 53% | 0.525 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 172.8 | 171.9 | -97.5 | 0 | 0 | 0 | 111.6 | L27 V28 G29 C33 F34 W35 | L27-Y31 PolarHBondContact O-N 3.34Å; V28-Y31 WeakPolarHBondContact O-CB 3.3Å; V28-Y31 PolarHBondContact O-N 3.02Å; G29-Y31 VanDerWaalsContact C-N 3.35Å; Y31-C33 VanDerWaalsContact C-N 3.33Å; Y31-C33 PolarHBondContact O-N 3.3Å; Y31-F34 WeakPolarHBondContact O-CB 3.37Å; Y31-F34 PolarHBondContact O-N 2.82Å; Y31-F34 VanDerWaalsContact O-N 3.16Å; Y31-W35 WeakPolarHBondContact O-CB 3.22Å; Y31-W35 PolarHBondContact O-N 3.46Å |
| 32 | S | 94.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.007 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.5 | -46.1 | 175.7 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | V28 G29 F34 W35 T36 P76 | V28-S32 PolarHBondContact O-N 2.66Å; V28-S32 PolarHBondContact O-OG 3.32Å; G29-S32 WeakPolarHBondContact O-CB 3.31Å; G29-S32 PolarHBondContact O-N 2.8Å; S32-F34 VanDerWaalsContact C-N 3.34Å; S32-F34 PolarHBondContact O-N 3.23Å; S32-W35 PolarHBondContact O-N 3.46Å; S32-T36 WeakPolarHBondContact O-CG2 3.44Å; S32-T36 PolarHBondContact O-N 3.35Å; S32-T36 PolarHBondContact O-OG1 3.28Å; S32-P76 WeakPolarHBondContact CB-O 3.49Å |
| 33 | C | 93.4 | Very high | 93.5 | Very high | 28 Ų | 28 | 74.6 Ų | 74.6 | 19% | 0.189 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.3 | -40.8 | 176.4 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | G29 T30 Y31 T36 K37 I87 | G29-C33 PolarHBondContact O-N 3.27Å; T30-C33 PolarHBondContact O-N 3.24Å; Y31-C33 VanDerWaalsContact C-N 3.33Å; Y31-C33 PolarHBondContact O-N 3.3Å; C33-T36 PolarHBondContact O-OG1 3.04Å; C33-K37 WeakPolarHBondContact O-CB 3.02Å; C33-K37 PolarHBondContact O-N 2.85Å; C33-I87 HydrophobicContact CB-CD1 4.46Å |
| 34 | F | 94.4 | Very high | 93.5 | Very high | 108 Ų | 108 | 73.5 Ų | 73.5 | 47% | 0.474 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.2 | -48.8 | 174.8 | 177.9 | -96.3 | 0 | 0 | 0 | 111.5 | T30 Y31 S32 T36 K37 Y38 M39 | T30-F34 PolarHBondContact O-N 2.82Å; Y31-F34 WeakPolarHBondContact O-CB 3.37Å; Y31-F34 PolarHBondContact O-N 2.82Å; Y31-F34 VanDerWaalsContact O-N 3.16Å; S32-F34 VanDerWaalsContact C-N 3.34Å; S32-F34 PolarHBondContact O-N 3.23Å; F34-T36 PolarHBondContact O-N 3.17Å; F34-K37 PolarHBondContact O-N 3Å; F34-Y38 AromaticContact CD2-CD2 3.41Å; F34-Y38 HydrophobicContact CD2-CD2 3.41Å; F34-Y38 VanDerWaalsContact CD2-CD2 3.41Å; F34-Y38 AromaticContact CD2-CE2 3.92Å; F34-Y38 HydrophobicContact CD2-CE2 3.92Å; F34-Y38 HydrophobicContact CD2-CG 4.25Å; F34-Y38 AromaticContact CE2-CD2 3.66Å; F34-Y38 HydrophobicContact CE2-CD2 3.66Å; F34-Y38 HydrophobicContact CE2-CE2 4.28Å; F34-Y38 HydrophobicContact CE2-CG 4.08Å; F34-Y38 HydrophobicContact CG-CD2 4.12Å; F34-Y38 WeakPolarHBondContact O-CB 3.45Å; F34-Y38 WeakPolarHBondContact O-CD2 3.38Å; F34-Y38 PolarHBondContact O-N 2.88Å; F34-M39 HydrophobicContact CD1-SD 4.47Å; F34-M39 HydrophobicContact CE1-CG 4.3Å; F34-M39 HydrophobicContact CE1-SD 3.9Å |
| 35 | W | 93.8 | Very high | 93.6 | Very high | 67 Ų | 67 | 76.7 Ų | 76.7 | 25% | 0.254 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | -178.7 | 179.9 | -99.6 | 0 | 0 | 0 | 112.6 | Y31 S32 M39 N40 | Y31-W35 WeakPolarHBondContact O-CB 3.22Å; Y31-W35 PolarHBondContact O-N 3.46Å; S32-W35 PolarHBondContact O-N 3.46Å; W35-M39 HydrophobicContact CD2-CB 4.07Å; W35-M39 HydrophobicContact CD2-SD 4.41Å; W35-M39 HydrophobicContact CE3-CB 3.8Å; W35-M39 HydrophobicContact CE3-CE 3.86Å; W35-M39 HydrophobicContact CE3-CG 4.1Å; W35-M39 HydrophobicContact CE3-SD 3.32Å; W35-M39 HydrophobicContact CH2-CE 4.05Å; W35-M39 HydrophobicContact CZ3-CB 4.06Å; W35-M39 HydrophobicContact CZ3-CE 3.27Å; W35-M39 HydrophobicContact CZ3-CG 4.38Å; W35-M39 HydrophobicContact CZ3-SD 3.44Å; W35-M39 WeakPolarHBondContact CZ3-SD 3.34Å; W35-M39 CarbonylContact O-C 3.46Å; W35-M39 WeakPolarHBondContact O-CA 3.29Å; W35-M39 WeakPolarHBondContact O-CB 3.39Å; W35-M39 PolarHBondContact O-N 2.91Å; W35-N40 PolarHBondContact NE1-ND2 3.15Å; W35-N40 PolarHBondContact O-N 3.49Å; W35-N40 VanDerWaalsContact O-N 3.15Å; W35-N40 PolarHBondContact O-ND2 3.03Å |
| 36 | T | 92.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 80.6 Ų | 80.6 | 4% | 0.043 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.7 | -31 | -179.6 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | S32 C33 F34 N40 L42 G80 | S32-T36 WeakPolarHBondContact O-CG2 3.44Å; S32-T36 PolarHBondContact O-N 3.35Å; S32-T36 PolarHBondContact O-OG1 3.28Å; C33-T36 PolarHBondContact O-OG1 3.04Å; F34-T36 PolarHBondContact O-N 3.17Å; T36-N40 VanDerWaalsContact O-O 3.11Å; T36-L42 HydrophobicContact CG2-CD2 4.23Å; T36-G80 WeakPolarHBondContact OG1-CA 3.46Å; T36-G80 PolarHBondContact OG1-O 3.09Å |
| 37 | K | 90.4 | Very high | 93.8 | Very high | 140 Ų | 140 | 86.8 Ų | 86.8 | 61% | 0.609 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -86.3 | -36.2 | -176.1 | -172.1 | 174.4 | -179.6 | -173 | 0 | 113.6 | C33 F34 | C33-K37 WeakPolarHBondContact O-CB 3.02Å; C33-K37 PolarHBondContact O-N 2.85Å; F34-K37 PolarHBondContact O-N 3Å |
| 38 | Y | 93 | Very high | 93.8 | Very high | 150 Ų | 150 | 86.8 Ų | 86.8 | 59% | 0.588 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -112.8 | -25.5 | -171.4 | -63.5 | -76.1 | 0 | 0 | 0 | 113.8 | F34 | F34-Y38 AromaticContact CD2-CD2 3.41Å; F34-Y38 HydrophobicContact CD2-CD2 3.41Å; F34-Y38 VanDerWaalsContact CD2-CD2 3.41Å; F34-Y38 AromaticContact CD2-CE2 3.92Å; F34-Y38 HydrophobicContact CD2-CE2 3.92Å; F34-Y38 HydrophobicContact CD2-CG 4.25Å; F34-Y38 AromaticContact CE2-CD2 3.66Å; F34-Y38 HydrophobicContact CE2-CD2 3.66Å; F34-Y38 HydrophobicContact CE2-CE2 4.28Å; F34-Y38 HydrophobicContact CE2-CG 4.08Å; F34-Y38 HydrophobicContact CG-CD2 4.12Å; F34-Y38 WeakPolarHBondContact O-CB 3.45Å; F34-Y38 WeakPolarHBondContact O-CD2 3.38Å; F34-Y38 PolarHBondContact O-N 2.88Å |
| 39 | M | 94.3 | Very high | 93.9 | Very high | 106 Ų | 106 | 87.3 Ų | 87.3 | 52% | 0.522 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -111.6 | -4 | -174.9 | -56.8 | -171.4 | 68.3 | 0 | 0 | 113 | F34 W35 | F34-M39 HydrophobicContact CD1-SD 4.47Å; F34-M39 HydrophobicContact CE1-CG 4.3Å; F34-M39 HydrophobicContact CE1-SD 3.9Å; W35-M39 HydrophobicContact CD2-CB 4.07Å; W35-M39 HydrophobicContact CD2-SD 4.41Å; W35-M39 HydrophobicContact CE3-CB 3.8Å; W35-M39 HydrophobicContact CE3-CE 3.86Å; W35-M39 HydrophobicContact CE3-CG 4.1Å; W35-M39 HydrophobicContact CE3-SD 3.32Å; W35-M39 HydrophobicContact CH2-CE 4.05Å; W35-M39 HydrophobicContact CZ3-CB 4.06Å; W35-M39 HydrophobicContact CZ3-CE 3.27Å; W35-M39 HydrophobicContact CZ3-CG 4.38Å; W35-M39 HydrophobicContact CZ3-SD 3.44Å; W35-M39 WeakPolarHBondContact CZ3-SD 3.34Å; W35-M39 CarbonylContact O-C 3.46Å; W35-M39 WeakPolarHBondContact O-CA 3.29Å; W35-M39 WeakPolarHBondContact O-CB 3.39Å; W35-M39 PolarHBondContact O-N 2.91Å |
| 40 | N | 92.9 | Very high | 93.9 | Very high | 67 Ų | 67 | 89.2 Ų | 89.2 | 36% | 0.358 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -142.4 | 170 | 179.4 | -67.5 | -92.3 | 0 | 0 | 0 | 111.1 | W35 T36 | W35-N40 PolarHBondContact NE1-ND2 3.15Å; W35-N40 PolarHBondContact O-N 3.49Å; W35-N40 VanDerWaalsContact O-N 3.15Å; W35-N40 PolarHBondContact O-ND2 3.03Å; T36-N40 VanDerWaalsContact O-O 3.11Å |
| 41 | H | 91.9 | Very high | 93.9 | Very high | 174 Ų | 174 | 88.2 Ų | 88.2 | 81% | 0.806 | 42% | 0.417 | S | S | * | . | trans | -114.3 | 111.6 | 171.8 | -174.6 | -85.7 | 0 | 0 | 0 | 109.5 | ||||
| 42 | L | 92.1 | Very high | 93.9 | Very high | 65 Ų | 65 | 86.3 Ų | 86.3 | 34% | 0.34 | 41% | 0.413 | S | S | . | . | trans | -115.4 | 123.4 | -178.9 | -172.2 | 62.3 | 0 | 0 | 0 | 110.6 | T36 V44 I81 | T36-L42 HydrophobicContact CG2-CD2 4.23Å; L42-V44 HydrophobicContact CD2-CG2 4.11Å; L42-V44 HydrophobicContact CG-CG2 3.91Å; L42-I81 HydrophobicContact CD2-CG2 3.35Å; L42-I81 HydrophobicContact CG-CG2 4.35Å | ||
| 43 | T | 94.5 | Very high | 93.8 | Very high | 90 Ų | 90 | 90.5 Ų | 90.5 | 55% | 0.552 | 44% | 0.435 | S | S | * | . | trans | -100.2 | 121.4 | 173.2 | -55.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 44 | V | 94.6 | Very high | 93.8 | Very high | 53 Ų | 53 | 89.9 Ų | 89.9 | 32% | 0.321 | 43% | 0.43 | S | S | . | . | trans | -119.6 | 121.8 | -176.5 | -167.8 | 0 | 0 | 0 | 0 | 109.1 | L42 R47 I81 | L42-V44 HydrophobicContact CD2-CG2 4.11Å; L42-V44 HydrophobicContact CG-CG2 3.91Å; V44-R47 HydrophobicContact CG1-CB 3.8Å; V44-I81 HydrophobicContact CB-CG2 4.47Å; V44-I81 HydrophobicContact CG1-CD1 4.43Å; V44-I81 HydrophobicContact CG1-CG2 4.19Å; V44-I81 HydrophobicContact CG2-CB 4.34Å; V44-I81 HydrophobicContact CG2-CG2 3.41Å; V44-I81 VanDerWaalsContact CG2-CG2 3.41Å | ||
| 45 | H | 95.4 | Very high | 93.6 | Very high | 150 Ų | 150 | 88.8 Ų | 88.8 | 69% | 0.694 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -95.2 | 142.8 | 175.9 | -58.7 | -76.2 | 0 | 0 | 0 | 110.1 | R47 | H45-R47 PolarHBondContact O-N 3.48Š|
| 46 | N | 95.4 | Very high | 93.6 | Very high | 130 Ų | 130 | 92.9 Ų | 92.9 | 70% | 0.695 | 45% | 0.446 | S | S | * | . | S | Bend | trans | 54 | 29.1 | 172.4 | -62 | 76.1 | 0 | 0 | 0 | 115.7 | E48 V49 | N46-E48 PolarHBondContact O-N 3.45Å; N46-E48 VanDerWaalsContact O-N 3.07Å; N46-V49 HydrophobicContact CB-CG2 4.28Å; N46-V49 WeakPolarHBondContact O-CB 3.39Å; N46-V49 PolarHBondContact O-N 2.95Å |
| 47 | R | 93.9 | Very high | 93.5 | Very high | 129 Ų | 129 | 95.9 Ų | 95.9 | 49% | 0.487 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -55.2 | -30.8 | -178.9 | 73.7 | -176.4 | -178.3 | -148.1 | -4.4 | 114.2 | V44 H45 V49 L50 Y51 | V44-R47 HydrophobicContact CG1-CB 3.8Å; H45-R47 PolarHBondContact O-N 3.48Å; R47-V49 VanDerWaalsContact C-N 3.28Å; R47-V49 PolarHBondContact O-N 2.91Å; R47-L50 WeakPolarHBondContact O-CB 3.43Å; R47-L50 PolarHBondContact O-N 3.4Å; R47-Y51 HydrophobicContact CB-CE2 4.42Å; R47-Y51 HydrophobicContact CG-CE2 4.06Å; R47-Y51 PolarHBondContact O-N 2.97Å |
| 48 | E | 95.5 | Very high | 93.5 | Very high | 106 Ų | 106 | 90.6 Ų | 90.6 | 50% | 0.495 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.6 | -32.7 | -178.8 | -53.5 | -53.8 | 152.7 | 0 | 0 | 111.6 | N46 Y51 E52 | N46-E48 PolarHBondContact O-N 3.45Å; N46-E48 VanDerWaalsContact O-N 3.07Å; E48-Y51 PolarHBondContact O-N 3Å; E48-Y51 WeakPolarHBondContact OE2-CD2 3.4Å; E48-E52 WeakPolarHBondContact O-CB 3.41Å; E48-E52 PolarHBondContact O-N 3.22Å |
| 49 | V | 95.6 | Very high | 93.2 | Very high | 78 Ų | 78 | 90.8 Ų | 90.8 | 47% | 0.473 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 173.8 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | N46 R47 Y51 E52 L53 | N46-V49 HydrophobicContact CB-CG2 4.28Å; N46-V49 WeakPolarHBondContact O-CB 3.39Å; N46-V49 PolarHBondContact O-N 2.95Å; R47-V49 VanDerWaalsContact C-N 3.28Å; R47-V49 PolarHBondContact O-N 2.91Å; V49-Y51 VanDerWaalsContact C-N 3.35Å; V49-Y51 PolarHBondContact O-N 2.78Å; V49-E52 PolarHBondContact O-N 3.5Å; V49-L53 HydrophobicContact CG1-CD1 4.04Å; V49-L53 HydrophobicContact CG1-CG 4.46Å; V49-L53 WeakPolarHBondContact O-CB 3.38Å; V49-L53 VanDerWaalsContact O-CG 3.28Å; V49-L53 WeakPolarHBondContact O-CG 3.11Å; V49-L53 PolarHBondContact O-N 3.26Å |
| 50 | L | 93.5 | Very high | 92.9 | Very high | 40 Ų | 40 | 90.4 Ų | 90.4 | 21% | 0.209 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 175.7 | 176.5 | 63.1 | 0 | 0 | 0 | 111.1 | R47 E52 L53 I54 T65 I81 L82 | R47-L50 WeakPolarHBondContact O-CB 3.43Å; R47-L50 PolarHBondContact O-N 3.4Å; L50-E52 PolarHBondContact O-N 2.84Å; L50-L53 PolarHBondContact O-N 3.08Å; L50-I54 HydrophobicContact CD1-CD1 3.86Å; L50-I54 HydrophobicContact CD1-CG1 4.24Å; L50-I54 HydrophobicContact CG-CD1 3.83Å; L50-I54 WeakPolarHBondContact O-CB 3.39Å; L50-I54 VanDerWaalsContact O-CG1 3.23Å; L50-I54 WeakPolarHBondContact O-CG1 3.39Å; L50-I54 PolarHBondContact O-N 3.15Å; L50-T65 HydrophobicContact CD1-CG2 4.28Å; L50-I81 HydrophobicContact CD2-CD1 3.7Å; L50-L82 HydrophobicContact CD2-CD2 4.31Å |
| 51 | Y | 94.3 | Very high | 92.8 | Very high | 30 Ų | 30 | 91 Ų | 91 | 12% | 0.118 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 177.7 | -62.7 | -21.4 | 0 | 0 | 0 | 112.4 | R47 E48 V49 I54 E55 I81 K83 H86 | R47-Y51 HydrophobicContact CB-CE2 4.42Å; R47-Y51 HydrophobicContact CG-CE2 4.06Å; R47-Y51 PolarHBondContact O-N 2.97Å; E48-Y51 PolarHBondContact O-N 3Å; E48-Y51 WeakPolarHBondContact OE2-CD2 3.4Å; V49-Y51 VanDerWaalsContact C-N 3.35Å; V49-Y51 PolarHBondContact O-N 2.78Å; Y51-I54 PolarHBondContact O-N 3.13Å; Y51-E55 VanDerWaalsContact O-CB 3.29Å; Y51-E55 WeakPolarHBondContact O-CB 3.38Å; Y51-E55 VanDerWaalsContact O-CG 3.22Å; Y51-E55 WeakPolarHBondContact O-CG 3.32Å; Y51-E55 PolarHBondContact O-N 3.42Å; Y51-I81 PolarHBondContact OH-O 2.92Å; Y51-K83 HydrophobicContact CE1-CG 4.28Å; Y51-K83 VanDerWaalsContact CE2-CE 3.5Å; Y51-K83 HydrophobicContact CE2-CG 4.48Å; Y51-H86 AromaticContact CD1-CE1 3.74Å |
| 52 | E | 94.9 | Very high | 92.7 | Very high | 94 Ų | 94 | 87.9 Ų | 87.9 | 44% | 0.439 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 176.9 | -178.1 | 168 | -161.4 | 0 | 0 | 111.8 | E48 V49 L50 I54 E55 K56 | E48-E52 WeakPolarHBondContact O-CB 3.41Å; E48-E52 PolarHBondContact O-N 3.22Å; V49-E52 PolarHBondContact O-N 3.5Å; L50-E52 PolarHBondContact O-N 2.84Å; E52-I54 VanDerWaalsContact C-N 3.28Å; E52-I54 PolarHBondContact O-N 3.02Å; E52-E55 PolarHBondContact O-N 3.22Å; E52-K56 HydrophobicContact CG-CD 3.68Å; E52-K56 HydrophobicContact CG-CG 4.11Å; E52-K56 VanDerWaalsContact O-CB 3.31Å; E52-K56 WeakPolarHBondContact O-CB 3.32Å; E52-K56 PolarHBondContact O-N 3.31Å; E52-K56 WeakPolarHBondContact OE1-CE 3.46Å; E52-K56 IonicContact OE1-NZ 2.69Å; E52-K56 PolarHBondContact OE1-NZ 3.29Å |
| 53 | L | 93.4 | Very high | 92.6 | Very high | 88 Ų | 88 | 87.6 Ų | 87.6 | 46% | 0.461 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.1 | -35.2 | 176.1 | -68.9 | 171.6 | 0 | 0 | 0 | 112.1 | V49 L50 R57 L63 | V49-L53 HydrophobicContact CG1-CD1 4.04Å; V49-L53 HydrophobicContact CG1-CG 4.46Å; V49-L53 WeakPolarHBondContact O-CB 3.38Å; V49-L53 VanDerWaalsContact O-CG 3.28Å; V49-L53 WeakPolarHBondContact O-CG 3.11Å; V49-L53 PolarHBondContact O-N 3.26Å; L50-L53 PolarHBondContact O-N 3.08Å; L53-R57 WeakPolarHBondContact O-CB 3.37Å; L53-L63 HydrophobicContact CB-CD1 4.03Å; L53-L63 HydrophobicContact CB-CD2 4.05Å; L53-L63 HydrophobicContact CD1-CD1 4.3Å |
| 54 | I | 92.1 | Very high | 92.5 | Very high | 16 Ų | 16 | 89.9 Ų | 89.9 | 8% | 0.082 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -68.7 | -47.8 | 176.3 | -72.3 | 168.3 | 0 | 0 | 0 | 110.7 | L50 Y51 E52 R57 L63 L82 L92 | L50-I54 HydrophobicContact CD1-CD1 3.86Å; L50-I54 HydrophobicContact CD1-CG1 4.24Å; L50-I54 HydrophobicContact CG-CD1 3.83Å; L50-I54 WeakPolarHBondContact O-CB 3.39Å; L50-I54 VanDerWaalsContact O-CG1 3.23Å; L50-I54 WeakPolarHBondContact O-CG1 3.39Å; L50-I54 PolarHBondContact O-N 3.15Å; Y51-I54 PolarHBondContact O-N 3.13Å; E52-I54 VanDerWaalsContact C-N 3.28Å; E52-I54 PolarHBondContact O-N 3.02Å; I54-R57 VanDerWaalsContact CA-NH1 3.32Å; I54-R57 PolarHBondContact O-NH1 2.86Å; I54-L63 HydrophobicContact CG1-CD2 3.73Å; I54-L82 HydrophobicContact CD1-CD2 3.69Å; I54-L92 HydrophobicContact CG2-CD1 4.38Å |
| 55 | E | 92.1 | Very high | 92.3 | Very high | 85 Ų | 85 | 92.2 Ų | 92.2 | 40% | 0.397 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -87.5 | -32.5 | -166.1 | -66.3 | 173.2 | -159.4 | 0 | 0 | 113.5 | Y51 E52 K83 R85 H86 | Y51-E55 VanDerWaalsContact O-CB 3.29Å; Y51-E55 WeakPolarHBondContact O-CB 3.38Å; Y51-E55 VanDerWaalsContact O-CG 3.22Å; Y51-E55 WeakPolarHBondContact O-CG 3.32Å; Y51-E55 PolarHBondContact O-N 3.42Å; E52-E55 PolarHBondContact O-N 3.22Å; E55-K83 IonicContact OE1-NZ 2.8Å; E55-K83 PolarHBondContact OE1-NZ 2.9Å; E55-R85 IonicContact OE1-CZ 3.47Å; E55-R85 IonicContact OE1-NE 3.56Å; E55-R85 IonicContact OE1-NH2 2.66Å; E55-R85 PolarHBondContact OE1-NH2 2.97Å; E55-R85 IonicContact OE2-CZ 2.77Å; E55-R85 IonicContact OE2-NH2 3.42Å; E55-R85 PolarHBondContact OE2-NH2 3.34Å; E55-H86 IonicContact OE1-CE1 3.67Å; E55-H86 PolarHBondContact OE1-CE1 3.04Å; E55-H86 IonicContact OE1-NE2 3.02Å; E55-H86 PolarHBondContact OE1-NE2 3.4Å |
| 56 | K | 93.1 | Very high | 92.2 | Very high | 153 Ų | 153 | 91.7 Ų | 91.7 | 67% | 0.665 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -95.5 | -8.6 | -175.3 | -61.2 | -167.7 | -172.1 | 169 | 0 | 114.4 | E52 | E52-K56 HydrophobicContact CG-CD 3.68Å; E52-K56 HydrophobicContact CG-CG 4.11Å; E52-K56 VanDerWaalsContact O-CB 3.31Å; E52-K56 WeakPolarHBondContact O-CB 3.32Å; E52-K56 PolarHBondContact O-N 3.31Å; E52-K56 WeakPolarHBondContact OE1-CE 3.46Å; E52-K56 IonicContact OE1-NZ 2.69Å; E52-K56 PolarHBondContact OE1-NZ 3.29Å |
| 57 | R | 91.1 | Very high | 92 | Very high | 69 Ų | 69 | 89.3 Ų | 89.3 | 26% | 0.26 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -65.6 | 146 | 179.9 | 73.3 | -177 | -166.2 | -99 | 14.4 | 111.8 | L53 I54 T61 | L53-R57 WeakPolarHBondContact O-CB 3.37Å; I54-R57 VanDerWaalsContact CA-NH1 3.32Å; I54-R57 PolarHBondContact O-NH1 2.86Å; R57-T61 WeakPolarHBondContact CD-O 3.38Å |
| 58 | G | 90.8 | Very high | 92.1 | Very high | 30 Ų | 30 | 89.8 Ų | 89.8 | 31% | 0.309 | 51% | 0.509 | S | S | . | . | trans | -66.9 | 155.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A60 T61 | G58-A60 PolarHBondContact O-N 3.45Å; G58-A60 VanDerWaalsContact O-N 3.11Å; G58-T61 PolarHBondContact O-N 3.16Å | ||
| 59 | P | 85.7 | Confident | 92 | Very high | 153 Ų | 153 | 91.5 Ų | 91.5 | 99% | 0.994 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.7 | -178.6 | -25.1 | 34 | 0 | 0 | 0 | 114.9 | ||
| 60 | A | 88.3 | Confident | 92 | Very high | 98 Ų | 98 | 95.5 Ų | 95.5 | 81% | 0.81 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 3.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | G58 P62 | G58-A60 PolarHBondContact O-N 3.45Å; G58-A60 VanDerWaalsContact O-N 3.11Å; A60-P62 WeakPolarHBondContact O-CD 3.25Å |
| 61 | T | 91 | Very high | 92.1 | Very high | 81 Ų | 81 | 95.7 Ų | 95.7 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | trans | -100.6 | 109.8 | -178.9 | -52.5 | 0 | 0 | 0 | 0 | 109.3 | R57 G58 | R57-T61 WeakPolarHBondContact CD-O 3.38Å; G58-T61 PolarHBondContact O-N 3.16Å | ||
| 62 | P | 89.7 | Confident | 92 | Very high | 108 Ų | 108 | 99.3 Ų | 99.3 | 70% | 0.701 | 56% | 0.564 | S | S | * | * | trans | -70.5 | 150.2 | 174.7 | 30.2 | -33.8 | 0 | 0 | 0 | 110.5 | A60 | A60-P62 WeakPolarHBondContact O-CD 3.25Š| ||
| 63 | L | 90.6 | Very high | 91.8 | Very high | 58 Ų | 58 | 98.8 Ų | 98.8 | 30% | 0.304 | 56% | 0.562 | S | S | . | * | trans | -113.6 | 121.7 | 170.4 | 176.8 | 61.7 | 0 | 0 | 0 | 107.7 | L53 I54 | L53-L63 HydrophobicContact CB-CD1 4.03Å; L53-L63 HydrophobicContact CB-CD2 4.05Å; L53-L63 HydrophobicContact CD1-CD1 4.3Å; I54-L63 HydrophobicContact CG1-CD2 3.73Å | ||
| 64 | I | 91.4 | Very high | 91.7 | Very high | 139 Ų | 139 | 96.2 Ų | 96.2 | 71% | 0.713 | 55% | 0.549 | S | S | * | . | trans | -111 | 122 | 176.8 | -59.9 | 175 | 0 | 0 | 0 | 107.4 | V66 | I64-V66 HydrophobicContact CG2-CG2 4.26Š| ||
| 65 | T | 91 | Very high | 91.6 | Very high | 102 Ų | 102 | 97.4 Ų | 97.4 | 63% | 0.626 | 56% | 0.556 | S | S | * | * | trans | -103.2 | 132.9 | 170.7 | 52.4 | 0 | 0 | 0 | 0 | 108.8 | L50 | L50-T65 HydrophobicContact CD1-CG2 4.28Š| ||
| 66 | V | 92.8 | Very high | 91.6 | Very high | 139 Ų | 139 | 94.8 Ų | 94.8 | 84% | 0.842 | 55% | 0.546 | S | S | * | . | trans | -113.5 | 126.3 | 177 | -176.7 | 0 | 0 | 0 | 0 | 108 | I64 | I64-V66 HydrophobicContact CG2-CG2 4.26Š| ||
| 67 | S | 90.8 | Very high | 91.6 | Very high | 79 Ų | 79 | 90.3 Ų | 90.3 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | trans | -131.7 | 158.2 | 175.2 | 65.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 68 | N | 95.6 | Very high | 91.6 | Very high | 140 Ų | 140 | 90 Ų | 90 | 75% | 0.749 | 53% | 0.53 | S | S | * | . | trans | -64 | 160.5 | 158.4 | 56.8 | -27.6 | 0 | 0 | 0 | 110 | ||||
| 69 | H | 95.1 | Very high | 91.7 | Very high | 142 Ų | 142 | 90.1 Ų | 90.1 | 66% | 0.657 | 52% | 0.522 | S | S | * | . | trans | -115 | 128.9 | 173.4 | -177 | 47.3 | 0 | 0 | 0 | 109.4 | S71 D74 | H69-S71 VanDerWaalsContact CE1-C 3.49Å; H69-S71 PolarHBondContact CE1-O 3.01Å; H69-D74 IonicContact CE1-OD2 2.86Å; H69-D74 IonicContact CG-OD2 3.82Å; H69-D74 IonicContact ND1-OD2 3.7Å; H69-D74 PolarHBondContact ND1-OD2 2.97Å | ||
| 70 | Q | 95.5 | Very high | 92 | Very high | 161 Ų | 161 | 83.4 Ų | 83.4 | 75% | 0.752 | 48% | 0.48 | S | S | * | . | trans | -120 | -40.1 | 177.7 | -175.7 | 71.3 | -27.9 | 0 | 0 | 111.5 | D74 | Q70-D74 PolarHBondContact N-OD2 3.43Š| ||
| 71 | S | 94.4 | Very high | 92.2 | Very high | 45 Ų | 45 | 80.2 Ų | 80.2 | 32% | 0.315 | 45% | 0.449 | S | S | . | . | trans | -166.2 | 172.2 | -179.5 | 69.4 | 0 | 0 | 0 | 0 | 112.4 | H69 M73 D74 | H69-S71 VanDerWaalsContact CE1-C 3.49Å; H69-S71 PolarHBondContact CE1-O 3.01Å; S71-M73 PolarHBondContact O-N 3.32Å; S71-M73 WeakPolarHBondContact OG-CB 3.46Å; S71-M73 PolarHBondContact OG-N 3.42Å; S71-M73 VanDerWaalsContact OG-N 3.14Å; S71-D74 PolarHBondContact N-OD2 3.11Å; S71-D74 VanDerWaalsContact N-OD2 3.14Å; S71-D74 VanDerWaalsContact O-CB 3.31Å; S71-D74 WeakPolarHBondContact O-CB 3.44Å; S71-D74 PolarHBondContact O-N 2.93Å | ||
| 72 | C | 92 | Very high | 92.3 | Very high | 105 Ų | 105 | 77.7 Ų | 77.7 | 71% | 0.709 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -11.6 | 170.9 | -52.1 | 0 | 0 | 0 | 0 | 113.6 | D74 P76 | C72-D74 PolarHBondContact O-N 2.7Å; C72-P76 WeakPolarHBondContact O-CD 3.49Å |
| 73 | M | 91 | Very high | 92.4 | Very high | 84 Ų | 84 | 75.6 Ų | 75.6 | 41% | 0.414 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -10.2 | 172.9 | -64.8 | -61.1 | -62.9 | 0 | 0 | 112.2 | S71 D75 P76 H77 | S71-M73 PolarHBondContact O-N 3.32Å; S71-M73 WeakPolarHBondContact OG-CB 3.46Å; S71-M73 PolarHBondContact OG-N 3.42Å; S71-M73 VanDerWaalsContact OG-N 3.14Å; M73-D75 VanDerWaalsContact C-N 3.25Å; M73-D75 PolarHBondContact O-N 3.38Å; M73-P76 VanDerWaalsContact O-CD 3.3Å; M73-P76 WeakPolarHBondContact O-CD 3.42Å; M73-H77 PolarHBondContact O-N 3Å; M73-H77 PolarHBondContact O-ND1 3.43Å |
| 74 | D | 92.1 | Very high | 92.4 | Very high | 33 Ų | 33 | 77.1 Ų | 77.1 | 18% | 0.176 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59 | -38.3 | 178.5 | -61.1 | -18.7 | 0 | 0 | 0 | 111 | H69 Q70 S71 C72 H77 L78 | H69-D74 IonicContact CE1-OD2 2.86Å; H69-D74 IonicContact CG-OD2 3.82Å; H69-D74 IonicContact ND1-OD2 3.7Å; H69-D74 PolarHBondContact ND1-OD2 2.97Å; Q70-D74 PolarHBondContact N-OD2 3.43Å; S71-D74 PolarHBondContact N-OD2 3.11Å; S71-D74 VanDerWaalsContact N-OD2 3.14Å; S71-D74 VanDerWaalsContact O-CB 3.31Å; S71-D74 WeakPolarHBondContact O-CB 3.44Å; S71-D74 PolarHBondContact O-N 2.93Å; C72-D74 PolarHBondContact O-N 2.7Å; D74-H77 PolarHBondContact O-N 3.21Å; D74-L78 WeakPolarHBondContact O-CB 3.4Å; D74-L78 VanDerWaalsContact O-CG 3.28Å; D74-L78 WeakPolarHBondContact O-CG 3.13Å; D74-L78 PolarHBondContact O-N 3.39Å |
| 75 | D | 90.6 | Very high | 92.4 | Very high | 42 Ų | 42 | 77.4 Ų | 77.4 | 23% | 0.225 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.4 | -51.4 | -177.9 | -38.7 | -36.3 | 0 | 0 | 0 | 112.2 | M73 H77 L78 W79 W95 | M73-D75 VanDerWaalsContact C-N 3.25Å; M73-D75 PolarHBondContact O-N 3.38Å; D75-H77 VanDerWaalsContact C-N 3.27Å; D75-H77 PolarHBondContact O-N 2.9Å; D75-L78 PolarHBondContact O-N 3.33Å; D75-W79 WeakPolarHBondContact O-CB 3.41Å; D75-W79 PolarHBondContact O-N 2.96Å; D75-W95 WeakPolarHBondContact OD1-CH2 3.39Å; D75-W95 WeakPolarHBondContact OD1-CZ2 3.48Å |
| 76 | P | 91.3 | Very high | 92.4 | Very high | 29 Ų | 29 | 72.7 Ų | 72.7 | 19% | 0.188 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.1 | -37.2 | 173.4 | -26.6 | 33.3 | 0 | 0 | 0 | 114.2 | S32 C72 M73 G80 | S32-P76 WeakPolarHBondContact CB-O 3.49Å; C72-P76 WeakPolarHBondContact O-CD 3.49Å; M73-P76 VanDerWaalsContact O-CD 3.3Å; M73-P76 WeakPolarHBondContact O-CD 3.42Å; P76-G80 PolarHBondContact O-N 3.49Å |
| 77 | H | 92.3 | Very high | 92.4 | Very high | 59 Ų | 59 | 66.1 Ų | 66.1 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.2 | -45.4 | 177.7 | -69.2 | 101.9 | 0 | 0 | 0 | 111.5 | M73 D74 D75 W79 G80 I81 | M73-H77 PolarHBondContact O-N 3Å; M73-H77 PolarHBondContact O-ND1 3.43Å; D74-H77 PolarHBondContact O-N 3.21Å; D75-H77 VanDerWaalsContact C-N 3.27Å; D75-H77 PolarHBondContact O-N 2.9Å; H77-W79 VanDerWaalsContact C-N 3.33Å; H77-W79 PolarHBondContact O-N 2.95Å; H77-G80 PolarHBondContact O-N 2.92Å; H77-I81 PolarHBondContact O-N 2.92Å |
| 78 | L | 91.7 | Very high | 92.4 | Very high | 63 Ų | 63 | 68.6 Ų | 68.6 | 33% | 0.33 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.3 | -36.5 | 176.6 | -72 | 172.9 | 0 | 0 | 0 | 112.3 | D74 D75 I81 | D74-L78 WeakPolarHBondContact O-CB 3.4Å; D74-L78 VanDerWaalsContact O-CG 3.28Å; D74-L78 WeakPolarHBondContact O-CG 3.13Å; D74-L78 PolarHBondContact O-N 3.39Å; D75-L78 PolarHBondContact O-N 3.33Å; L78-I81 WeakPolarHBondContact O-CG1 3.44Å |
| 79 | W | 91.9 | Very high | 92.1 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 13% | 0.125 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -74 | -36.6 | 177.4 | -66.8 | 11.8 | 0 | 0 | 0 | 110.8 | M25 V28 D75 H77 I81 L82 M93 | M25-W79 HydrophobicContact CE-CH2 3.33Å; M25-W79 HydrophobicContact CE-CZ2 3.57Å; M25-W79 HydrophobicContact CE-CZ3 4.19Å; M25-W79 HydrophobicContact SD-CH2 4.05Å; V28-W79 HydrophobicContact CB-CE3 4.48Å; V28-W79 HydrophobicContact CB-CZ3 3.79Å; V28-W79 HydrophobicContact CG1-CE3 3.98Å; V28-W79 HydrophobicContact CG1-CH2 4.38Å; V28-W79 HydrophobicContact CG1-CZ3 3.41Å; V28-W79 VanDerWaalsContact CG1-CZ3 3.41Å; D75-W79 WeakPolarHBondContact O-CB 3.41Å; D75-W79 PolarHBondContact O-N 2.96Å; H77-W79 VanDerWaalsContact C-N 3.33Å; H77-W79 PolarHBondContact O-N 2.95Å; W79-I81 PolarHBondContact O-N 2.96Å; W79-L82 WeakPolarHBondContact O-CB 2.96Å; W79-L82 PolarHBondContact O-N 3.28Å; W79-M93 HydrophobicContact CE3-CE 4.38Å; W79-M93 HydrophobicContact CZ3-CE 4.42Å |
| 80 | G | 92.8 | Very high | 91.5 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.3 | -18.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T36 P76 H77 | T36-G80 WeakPolarHBondContact OG1-CA 3.46Å; T36-G80 PolarHBondContact OG1-O 3.09Å; P76-G80 PolarHBondContact O-N 3.49Å; H77-G80 PolarHBondContact O-N 2.92Å |
| 81 | I | 93.1 | Very high | 90.8 | Very high | 31 Ų | 31 | 60.1 Ų | 60.1 | 16% | 0.159 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -10.8 | 171.1 | 64.9 | 164.2 | 0 | 0 | 0 | 113.5 | L42 V44 L50 Y51 H77 L78 W79 | L42-I81 HydrophobicContact CD2-CG2 3.35Å; L42-I81 HydrophobicContact CG-CG2 4.35Å; V44-I81 HydrophobicContact CB-CG2 4.47Å; V44-I81 HydrophobicContact CG1-CD1 4.43Å; V44-I81 HydrophobicContact CG1-CG2 4.19Å; V44-I81 HydrophobicContact CG2-CB 4.34Å; V44-I81 HydrophobicContact CG2-CG2 3.41Å; V44-I81 VanDerWaalsContact CG2-CG2 3.41Å; L50-I81 HydrophobicContact CD2-CD1 3.7Å; Y51-I81 PolarHBondContact OH-O 2.92Å; H77-I81 PolarHBondContact O-N 2.92Å; L78-I81 WeakPolarHBondContact O-CG1 3.44Å; W79-I81 PolarHBondContact O-N 2.96Å |
| 82 | L | 92.4 | Very high | 90.3 | Very high | 28 Ų | 28 | 60.8 Ų | 60.8 | 15% | 0.147 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -84.8 | 153.7 | -178.3 | -64 | 176.5 | 0 | 0 | 0 | 111.9 | L50 I54 W79 H86 I87 | L50-L82 HydrophobicContact CD2-CD2 4.31Å; I54-L82 HydrophobicContact CD1-CD2 3.69Å; W79-L82 WeakPolarHBondContact O-CB 2.96Å; W79-L82 PolarHBondContact O-N 3.28Å; L82-H86 HydrophobicContact CB-CB 4.21Å; L82-I87 HydrophobicContact CB-CD1 4.33Å; L82-I87 HydrophobicContact CB-CG1 4.04Å |
| 83 | K | 91.9 | Very high | 89.5 | Confident | 64 Ų | 64 | 56.4 Ų | 56.4 | 28% | 0.278 | 27% | 0.266 | S | S | . | . | trans | -71.3 | 149.2 | 170.2 | -58.8 | 176.9 | -171.9 | 160.3 | 0 | 109.5 | Y51 E55 R85 H86 I87 | Y51-K83 HydrophobicContact CE1-CG 4.28Å; Y51-K83 VanDerWaalsContact CE2-CE 3.5Å; Y51-K83 HydrophobicContact CE2-CG 4.48Å; E55-K83 IonicContact OE1-NZ 2.8Å; E55-K83 PolarHBondContact OE1-NZ 2.9Å; K83-R85 HydrophobicContact CB-CG 3.98Å; K83-R85 VanDerWaalsContact NZ-NH2 3.13Å; K83-R85 PolarHBondContact O-N 3.32Å; K83-R85 VanDerWaalsContact O-N 3.13Å; K83-H86 PolarHBondContact N-ND1 3Å; K83-H86 WeakPolarHBondContact O-CA 3.46Å; K83-H86 VanDerWaalsContact O-CB 3.32Å; K83-H86 WeakPolarHBondContact O-CB 3.13Å; K83-H86 PolarHBondContact O-N 2.67Å; K83-I87 PolarHBondContact O-N 3.42Å; K83-I87 VanDerWaalsContact O-N 3.15Å | ||
| 84 | L | 91.3 | Very high | 88.2 | Confident | 91 Ų | 91 | 61.5 Ų | 61.5 | 48% | 0.476 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -53.3 | -38.4 | 175.8 | -67.4 | 175.5 | 0 | 0 | 0 | 112.4 | T30 H86 I87 W88 | T30-L84 HydrophobicContact CG2-CD2 4.28Å; L84-H86 PolarHBondContact O-N 2.97Å; L84-I87 HydrophobicContact CD2-CD1 4.43Å; L84-I87 WeakPolarHBondContact O-CB 3.29Å; L84-I87 PolarHBondContact O-N 2.93Å; L84-I87 VanDerWaalsContact O-N 3.08Å; L84-W88 VanDerWaalsContact O-CD1 3.24Å; L84-W88 PolarHBondContact O-N 3.46Å |
| 85 | R | 91 | Very high | 86.5 | Confident | 145 Ų | 145 | 70.9 Ų | 70.9 | 55% | 0.547 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -27 | 175.9 | 68.4 | 175 | 179.8 | -164.3 | -2.6 | 114.4 | E55 K83 N89 | E55-R85 IonicContact OE1-CZ 3.47Å; E55-R85 IonicContact OE1-NE 3.56Å; E55-R85 IonicContact OE1-NH2 2.66Å; E55-R85 PolarHBondContact OE1-NH2 2.97Å; E55-R85 IonicContact OE2-CZ 2.77Å; E55-R85 IonicContact OE2-NH2 3.42Å; E55-R85 PolarHBondContact OE2-NH2 3.34Å; K83-R85 HydrophobicContact CB-CG 3.98Å; K83-R85 VanDerWaalsContact NZ-NH2 3.13Å; K83-R85 PolarHBondContact O-N 3.32Å; K83-R85 VanDerWaalsContact O-N 3.13Å; R85-N89 WeakPolarHBondContact O-CB 3.36Å |
| 86 | H | 91.7 | Very high | 86.3 | Confident | 3 Ų | 3 | 72.4 Ų | 72.4 | 1% | 0.014 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -75.2 | -44 | 173.8 | -52.6 | 158 | 0 | 0 | 0 | 108.9 | Y51 E55 L82 K83 L84 W88 N89 M93 | Y51-H86 AromaticContact CD1-CE1 3.74Å; E55-H86 IonicContact OE1-CE1 3.67Å; E55-H86 PolarHBondContact OE1-CE1 3.04Å; E55-H86 IonicContact OE1-NE2 3.02Å; E55-H86 PolarHBondContact OE1-NE2 3.4Å; L82-H86 HydrophobicContact CB-CB 4.21Å; K83-H86 PolarHBondContact N-ND1 3Å; K83-H86 WeakPolarHBondContact O-CA 3.46Å; K83-H86 VanDerWaalsContact O-CB 3.32Å; K83-H86 WeakPolarHBondContact O-CB 3.13Å; K83-H86 PolarHBondContact O-N 2.67Å; L84-H86 PolarHBondContact O-N 2.97Å; H86-W88 PolarHBondContact O-N 3.28Å; H86-N89 PolarHBondContact O-N 3.4Å; H86-M93 WeakPolarHBondContact O-CB 3.33Å |
| 87 | I | 91.2 | Very high | 86 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.2 | -46.8 | -177.6 | -68 | 167.6 | 0 | 0 | 0 | 112.5 | C33 L82 K83 L84 N89 M93 | C33-I87 HydrophobicContact CB-CD1 4.46Å; L82-I87 HydrophobicContact CB-CD1 4.33Å; L82-I87 HydrophobicContact CB-CG1 4.04Å; K83-I87 PolarHBondContact O-N 3.42Å; K83-I87 VanDerWaalsContact O-N 3.15Å; L84-I87 HydrophobicContact CD2-CD1 4.43Å; L84-I87 WeakPolarHBondContact O-CB 3.29Å; L84-I87 PolarHBondContact O-N 2.93Å; L84-I87 VanDerWaalsContact O-N 3.08Å; I87-N89 PolarHBondContact O-N 2.9Å; I87-M93 WeakPolarHBondContact CA-SD 3.39Å; I87-M93 HydrophobicContact CB-CE 4.26Å; I87-M93 HydrophobicContact CB-SD 4.04Å; I87-M93 HydrophobicContact CG1-SD 3.98Å; I87-M93 HydrophobicContact CG2-CE 3.72Å; I87-M93 HydrophobicContact CG2-SD 4.17Å; I87-M93 WeakPolarHBondContact O-CE 3.4Å |
| 88 | W | 91.6 | Very high | 85.7 | Confident | 130 Ų | 130 | 75.5 Ų | 75.5 | 49% | 0.492 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 8.3 | -178.4 | -72.2 | 89.8 | 0 | 0 | 0 | 113.8 | L27 T30 L84 H86 | L27-W88 HydrophobicContact CD2-CH2 4.49Å; T30-W88 PolarHBondContact OG1-NE1 3.31Å; T30-W88 VanDerWaalsContact OG1-NE1 3.09Å; L84-W88 VanDerWaalsContact O-CD1 3.24Å; L84-W88 PolarHBondContact O-N 3.46Å; H86-W88 PolarHBondContact O-N 3.28Å |
| 89 | N | 89.5 | Confident | 85.3 | Confident | 60 Ų | 60 | 76.2 Ų | 76.2 | 32% | 0.321 | 33% | 0.327 | S | S | . | . | trans | -115.9 | 96.4 | 178.4 | -174.8 | -22.5 | 0 | 0 | 0 | 110.7 | R85 H86 I87 K91 L92 M93 | R85-N89 WeakPolarHBondContact O-CB 3.36Å; H86-N89 PolarHBondContact O-N 3.4Å; I87-N89 PolarHBondContact O-N 2.9Å; N89-K91 PolarHBondContact O-N 2.95Å; N89-K91 WeakPolarHBondContact OD1-CB 3.28Å; N89-K91 PolarHBondContact OD1-N 3.16Å; N89-L92 HydrophobicContact CB-CB 4.22Å; N89-L92 HydrophobicContact CB-CD1 4.21Å; N89-L92 HydrophobicContact CB-CG 4.28Å; N89-L92 WeakPolarHBondContact ND2-CD1 3.48Å; N89-L92 PolarHBondContact O-N 2.82Å; N89-L92 PolarHBondContact OD1-N 3.27Å; N89-M93 PolarHBondContact O-N 3.3Å | ||
| 90 | L | 82.6 | Confident | 84.9 | Confident | 33 Ų | 33 | 78.9 Ų | 78.9 | 17% | 0.173 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -11.4 | 178.5 | -73.7 | -168.6 | 0 | 0 | 0 | 115.7 | T18 S22 M25 R94 | T18-L90 HydrophobicContact CG2-CD1 4.26Å; S22-L90 WeakPolarHBondContact OG-CD1 3.31Å; S22-L90 WeakPolarHBondContact OG-CG 3.44Å; M25-L90 HydrophobicContact CB-CD2 3.91Å; M25-L90 HydrophobicContact CG-CD2 3.84Å; L90-R94 WeakPolarHBondContact O-CG 3.28Å; L90-R94 PolarHBondContact O-NE 3.04Å |
| 91 | K | 81.1 | Confident | 84.4 | Confident | 173 Ų | 173 | 83.5 Ų | 83.5 | 75% | 0.752 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -27.8 | 173.7 | -61.3 | -178 | 179.7 | 179.2 | 0 | 111.6 | N89 | N89-K91 PolarHBondContact O-N 2.95Å; N89-K91 WeakPolarHBondContact OD1-CB 3.28Å; N89-K91 PolarHBondContact OD1-N 3.16Å |
| 92 | L | 83.3 | Confident | 83.8 | Confident | 59 Ų | 59 | 87.2 Ų | 87.2 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -43.3 | 177.1 | -62.7 | 179.6 | 0 | 0 | 0 | 111.2 | I54 N89 R94 | I54-L92 HydrophobicContact CG2-CD1 4.38Å; N89-L92 HydrophobicContact CB-CB 4.22Å; N89-L92 HydrophobicContact CB-CD1 4.21Å; N89-L92 HydrophobicContact CB-CG 4.28Å; N89-L92 WeakPolarHBondContact ND2-CD1 3.48Å; N89-L92 PolarHBondContact O-N 2.82Å; N89-L92 PolarHBondContact OD1-N 3.27Å; L92-R94 PolarHBondContact O-N 3.43Å |
| 93 | M | 75.2 | Confident | 83.1 | Confident | 12 Ų | 12 | 91.8 Ų | 91.8 | 6% | 0.059 | 39% | 0.386 | C | S | . | . | trans | -88.1 | 88.1 | 173.9 | -176.2 | 145.6 | 114.6 | 0 | 0 | 109.2 | M25 W79 H86 I87 N89 | M25-M93 HydrophobicContact CB-CE 3.83Å; M25-M93 HydrophobicContact CE-CE 3.96Å; M25-M93 HydrophobicContact CE-CG 4.47Å; M25-M93 VanDerWaalsContact O-CE 3.25Å; M25-M93 WeakPolarHBondContact O-CE 3.41Å; W79-M93 HydrophobicContact CE3-CE 4.38Å; W79-M93 HydrophobicContact CZ3-CE 4.42Å; H86-M93 WeakPolarHBondContact O-CB 3.33Å; I87-M93 WeakPolarHBondContact CA-SD 3.39Å; I87-M93 HydrophobicContact CB-CE 4.26Å; I87-M93 HydrophobicContact CB-SD 4.04Å; I87-M93 HydrophobicContact CG1-SD 3.98Å; I87-M93 HydrophobicContact CG2-CE 3.72Å; I87-M93 HydrophobicContact CG2-SD 4.17Å; I87-M93 WeakPolarHBondContact O-CE 3.4Å; N89-M93 PolarHBondContact O-N 3.3Å | ||
| 94 | R | 63.9 | Low | 82.4 | Confident | 191 Ų | 191 | 94.1 Ų | 94.1 | 72% | 0.721 | 40% | 0.395 | S | S | * | . | trans | -130.1 | 127 | 161.9 | -68.9 | -172.8 | 172.3 | -179 | -9.9 | 107.1 | L90 L92 | L90-R94 WeakPolarHBondContact O-CG 3.28Å; L90-R94 PolarHBondContact O-NE 3.04Å; L92-R94 PolarHBondContact O-N 3.43Å | ||
| 95 | W | 56.2 | Low | 81.6 | Confident | 231 Ų | 231 | 94.4 Ų | 94.4 | 88% | 0.875 | 39% | 0.388 | S | S | * | . | trans | -87.8 | 0 | 167.4 | -137.4 | 55.5 | 0 | 0 | 0 | 107.6 | D75 | D75-W95 WeakPolarHBondContact OD1-CH2 3.39Å; D75-W95 WeakPolarHBondContact OD1-CZ2 3.48Å |
Retrieved 95 of 95 residues in 56 ms
(Link to these results)