| 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 | 60.8 | Low | 84 | Confident | 243 Ų | 243 | 103.2 Ų | 103.2 | 100% | 1.197 | 57% | 0.573 | S | S | * | * | 0 | 137.6 | 0 | -68.9 | -168.2 | 176.5 | 0 | 0 | 108.6 | |||||
| 2 | S | 79.7 | Confident | 84.8 | Confident | 76 Ų | 76 | 107.2 Ų | 107.2 | 53% | 0.531 | 57% | 0.573 | S | S | . | * | trans | -75.9 | 142.7 | 178.9 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | N4 G5 A6 | S2-N4 PolarHBondContact O-N 3.37Å; S2-N4 PolarHBondContact OG-N 2.73Å; S2-G5 WeakPolarHBondContact O-CA 3.27Å; S2-G5 PolarHBondContact O-N 2.04Å; S2-A6 PolarHBondContact O-N 3.46Å | ||
| 3 | V | 76.3 | Confident | 85.3 | Confident | 115 Ų | 115 | 104.7 Ų | 104.7 | 70% | 0.697 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -53.5 | -38.9 | 173.5 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | G5 A6 V7 | V3-G5 VanDerWaalsContact C-N 3.31Å; V3-G5 PolarHBondContact O-N 3.32Å; V3-A6 PolarHBondContact O-N 3.5Å; V3-V7 WeakPolarHBondContact O-CG2 3.43Å; V3-V7 PolarHBondContact O-N 2.97Å; V3-V7 VanDerWaalsContact O-N 3.11Å |
| 4 | N | 81.6 | Confident | 85.6 | Confident | 108 Ų | 108 | 108.4 Ų | 108.4 | 58% | 0.578 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.1 | -41.6 | 175 | -67 | -28.3 | 0 | 0 | 0 | 111.3 | S2 A6 V7 W8 | S2-N4 PolarHBondContact O-N 3.37Å; S2-N4 PolarHBondContact OG-N 2.73Å; N4-A6 VanDerWaalsContact C-N 3.32Å; N4-A6 PolarHBondContact O-N 3.1Å; N4-V7 PolarHBondContact O-N 3.48Å; N4-W8 PolarHBondContact O-N 3.42Å |
| 5 | G | 86.5 | Confident | 86 | Confident | 45 Ų | 45 | 111 Ų | 111 | 46% | 0.464 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.9 | -38.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S2 V3 G9 | S2-G5 WeakPolarHBondContact O-CA 3.27Å; S2-G5 PolarHBondContact O-N 2.04Å; V3-G5 VanDerWaalsContact C-N 3.31Å; V3-G5 PolarHBondContact O-N 3.32Å; G5-G9 PolarHBondContact O-N 2.85Å |
| 6 | A | 87.5 | Confident | 86.4 | Confident | 53 Ų | 53 | 115.6 Ų | 115.6 | 44% | 0.438 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.6 | -38.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S2 V3 N4 G9 R10 | S2-A6 PolarHBondContact O-N 3.46Å; V3-A6 PolarHBondContact O-N 3.5Å; N4-A6 VanDerWaalsContact C-N 3.32Å; N4-A6 PolarHBondContact O-N 3.1Å; A6-G9 PolarHBondContact O-N 3.48Å; A6-R10 PolarHBondContact O-N 3.15Å; A6-R10 VanDerWaalsContact O-N 3.17Å |
| 7 | V | 89.8 | Confident | 86.7 | Confident | 65 Ų | 65 | 109.9 Ų | 109.9 | 39% | 0.394 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.9 | -50.2 | 175 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | V3 N4 G9 R10 V11 | V3-V7 WeakPolarHBondContact O-CG2 3.43Å; V3-V7 PolarHBondContact O-N 2.97Å; V3-V7 VanDerWaalsContact O-N 3.11Å; N4-V7 PolarHBondContact O-N 3.48Å; V7-G9 VanDerWaalsContact C-N 3.26Å; V7-G9 PolarHBondContact O-N 2.92Å; V7-R10 PolarHBondContact O-N 3.19Å; V7-V11 WeakPolarHBondContact O-CG2 3.49Å; V7-V11 PolarHBondContact O-N 3.47Å |
| 8 | W | 90.2 | Very high | 87.1 | Confident | 171 Ų | 171 | 109 Ų | 109 | 65% | 0.648 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.8 | -33.2 | 177.9 | -74.9 | 111.1 | 0 | 0 | 0 | 112.6 | N4 R12 | N4-W8 PolarHBondContact O-N 3.42Å; W8-R12 WeakPolarHBondContact O-CB 3.39Å; W8-R12 PolarHBondContact O-N 3.29Å |
| 9 | G | 92.2 | Very high | 87.4 | Confident | 39 Ų | 39 | 107.5 Ų | 107.5 | 40% | 0.402 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.5 | -48.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G5 A6 V7 R12 S13 | G5-G9 PolarHBondContact O-N 2.85Å; A6-G9 PolarHBondContact O-N 3.48Å; V7-G9 VanDerWaalsContact C-N 3.26Å; V7-G9 PolarHBondContact O-N 2.92Å; G9-R12 PolarHBondContact O-N 3.38Å; G9-S13 PolarHBondContact O-N 3.44Å |
| 10 | R | 89.2 | Confident | 87.7 | Confident | 165 Ų | 165 | 108.9 Ų | 108.9 | 62% | 0.623 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.3 | -45.7 | 176.7 | -83.7 | -168.2 | -70.4 | -100.8 | 0.9 | 112.6 | A6 V7 R12 S13 R14 | A6-R10 PolarHBondContact O-N 3.15Å; A6-R10 VanDerWaalsContact O-N 3.17Å; V7-R10 PolarHBondContact O-N 3.19Å; R10-R12 VanDerWaalsContact C-N 3.32Å; R10-R12 PolarHBondContact O-N 3.02Å; R10-S13 WeakPolarHBondContact O-CB 2.88Å; R10-S13 PolarHBondContact O-N 2.98Å; R10-R14 WeakPolarHBondContact O-CG 3.47Å; R10-R14 PolarHBondContact O-N 3.44Å |
| 11 | V | 90.7 | Very high | 88 | Confident | 55 Ų | 55 | 104.9 Ų | 104.9 | 33% | 0.333 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.7 | -48 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | V7 S13 R14 F15 | V7-V11 WeakPolarHBondContact O-CG2 3.49Å; V7-V11 PolarHBondContact O-N 3.47Å; V11-S13 VanDerWaalsContact C-N 3.32Å; V11-S13 PolarHBondContact O-N 3.47Å; V11-R14 PolarHBondContact O-N 3.29Å; V11-F15 HydrophobicContact CG1-CD2 3.67Å; V11-F15 HydrophobicContact CG1-CE2 3.52Å; V11-F15 VanDerWaalsContact O-CD2 3.24Å; V11-F15 WeakPolarHBondContact O-CD2 3.01Å; V11-F15 PolarHBondContact O-N 2.92Å |
| 12 | R | 93.2 | Very high | 89.6 | Confident | 151 Ų | 151 | 96 Ų | 96 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.4 | -37.2 | 178.4 | -171.1 | 175.2 | -64 | 160 | 1.2 | 112.7 | W8 G9 R10 F15 R16 | W8-R12 WeakPolarHBondContact O-CB 3.39Å; W8-R12 PolarHBondContact O-N 3.29Å; G9-R12 PolarHBondContact O-N 3.38Å; R10-R12 VanDerWaalsContact C-N 3.32Å; R10-R12 PolarHBondContact O-N 3.02Å; R12-F15 PolarHBondContact O-N 3.22Å; R12-R16 WeakPolarHBondContact O-CG 3.25Å; R12-R16 PolarHBondContact O-N 3Å |
| 13 | S | 90.9 | Very high | 90.3 | Very high | 75 Ų | 75 | 95.9 Ų | 95.9 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 175.3 | -165.5 | 0 | 0 | 0 | 0 | 111.5 | G9 R10 V11 F15 R16 A17 | G9-S13 PolarHBondContact O-N 3.44Å; R10-S13 WeakPolarHBondContact O-CB 2.88Å; R10-S13 PolarHBondContact O-N 2.98Å; V11-S13 VanDerWaalsContact C-N 3.32Å; V11-S13 PolarHBondContact O-N 3.47Å; S13-F15 VanDerWaalsContact C-N 3.34Å; S13-F15 PolarHBondContact O-N 3.33Å; S13-R16 WeakPolarHBondContact O-CB 3.35Å; S13-R16 PolarHBondContact O-N 3.22Å; S13-R16 VanDerWaalsContact O-N 3.11Å; S13-A17 PolarHBondContact O-N 2.98Å; S13-A17 VanDerWaalsContact O-N 3.11Å |
| 14 | R | 89.8 | Confident | 91.2 | Very high | 157 Ų | 157 | 93.8 Ų | 93.8 | 59% | 0.592 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 177.7 | -66.2 | 179.3 | 77.4 | 90.8 | -1.6 | 112.1 | R10 V11 R16 A17 F18 | R10-R14 WeakPolarHBondContact O-CG 3.47Å; R10-R14 PolarHBondContact O-N 3.44Å; V11-R14 PolarHBondContact O-N 3.29Å; R14-R16 VanDerWaalsContact C-N 3.28Å; R14-R16 PolarHBondContact O-N 3.49Å; R14-A17 PolarHBondContact O-N 2.94Å; R14-F18 PolarHBondContact O-N 2.96Å |
| 15 | F | 90.8 | Very high | 91.9 | Very high | 147 Ų | 147 | 88.7 Ų | 88.7 | 65% | 0.645 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65 | -31.2 | 175.2 | -83.4 | -66.1 | 0 | 0 | 0 | 113.3 | V11 R12 S13 | V11-F15 HydrophobicContact CG1-CD2 3.67Å; V11-F15 HydrophobicContact CG1-CE2 3.52Å; V11-F15 VanDerWaalsContact O-CD2 3.24Å; V11-F15 WeakPolarHBondContact O-CD2 3.01Å; V11-F15 PolarHBondContact O-N 2.92Å; R12-F15 PolarHBondContact O-N 3.22Å; S13-F15 VanDerWaalsContact C-N 3.34Å; S13-F15 PolarHBondContact O-N 3.33Å |
| 16 | R | 93.3 | Very high | 92.4 | Very high | 185 Ų | 185 | 88.2 Ų | 88.2 | 70% | 0.698 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -71.7 | -36.8 | 175.7 | -75.1 | 173.4 | 177.9 | 165.1 | -4.5 | 112.6 | R12 S13 R14 P19 | R12-R16 WeakPolarHBondContact O-CG 3.25Å; R12-R16 PolarHBondContact O-N 3Å; S13-R16 WeakPolarHBondContact O-CB 3.35Å; S13-R16 PolarHBondContact O-N 3.22Å; S13-R16 VanDerWaalsContact O-N 3.11Å; R14-R16 VanDerWaalsContact C-N 3.28Å; R14-R16 PolarHBondContact O-N 3.49Å; R16-P19 WeakPolarHBondContact O-CD 3.29Å |
| 17 | A | 92.1 | Very high | 92.9 | Very high | 18 Ų | 18 | 89.2 Ų | 89.2 | 15% | 0.149 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -79.8 | -18.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S13 R14 P19 E20 H21 | S13-A17 PolarHBondContact O-N 2.98Å; S13-A17 VanDerWaalsContact O-N 3.11Å; R14-A17 PolarHBondContact O-N 2.94Å; A17-P19 VanDerWaalsContact C-CD 3.49Å; A17-E20 PolarHBondContact O-N 3.1Å; A17-E20 VanDerWaalsContact O-N 3.11Å; A17-H21 PolarHBondContact O-CD2 3.4Å; A17-H21 PolarHBondContact O-N 2.86Å; A17-H21 VanDerWaalsContact O-N 3.12Å |
| 18 | F | 92.5 | Very high | 93.3 | Very high | 94 Ų | 94 | 89.2 Ų | 89.2 | 41% | 0.412 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -49.7 | -47.3 | -177.4 | 176.7 | -86.8 | 0 | 0 | 0 | 114.6 | R14 E20 H21 L22 F62 | R14-F18 PolarHBondContact O-N 2.96Å; F18-E20 VanDerWaalsContact C-N 3.31Å; F18-E20 PolarHBondContact O-N 3.39Å; F18-H21 PolarHBondContact O-N 3.38Å; F18-L22 HydrophobicContact CE1-CB 4.37Å; F18-L22 HydrophobicContact CE1-CD2 3.82Å; F18-L22 HydrophobicContact CZ-CD2 4.14Å; F18-L22 WeakPolarHBondContact O-CB 3.4Å; F18-L22 PolarHBondContact O-N 2.99Å; F18-F62 HydrophobicContact CD2-CE1 4.09Å; F18-F62 HydrophobicContact CD2-CE2 4.05Å; F18-F62 AromaticContact CD2-CZ 3.32Å; F18-F62 HydrophobicContact CD2-CZ 3.32Å; F18-F62 HydrophobicContact CE2-CE1 4.17Å; F18-F62 AromaticContact CE2-CE2 3.86Å; F18-F62 HydrophobicContact CE2-CE2 3.86Å; F18-F62 AromaticContact CE2-CZ 3.45Å; F18-F62 HydrophobicContact CE2-CZ 3.45Å; F18-F62 VanDerWaalsContact CE2-CZ 3.45Å; F18-F62 HydrophobicContact CG-CZ 4.17Å; F18-F62 HydrophobicContact CZ-CE2 4.42Å; F18-F62 HydrophobicContact CZ-CZ 4.39Å |
| 19 | P | 93.8 | Very high | 93.6 | Very high | 80 Ų | 80 | 82.4 Ų | 82.4 | 52% | 0.519 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.9 | -36.6 | -179.2 | -22 | 35 | 0 | 0 | 0 | 113 | R16 A17 L22 A23 | R16-P19 WeakPolarHBondContact O-CD 3.29Å; A17-P19 VanDerWaalsContact C-CD 3.49Å; P19-L22 PolarHBondContact O-N 2.63Å; P19-A23 VanDerWaalsContact O-CB 3.31Å; P19-A23 WeakPolarHBondContact O-CB 3.3Å; P19-A23 PolarHBondContact O-N 3.1Å |
| 20 | E | 93.9 | Very high | 93.9 | Very high | 135 Ų | 135 | 83.1 Ų | 83.1 | 63% | 0.631 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -68.9 | -46.1 | 178.1 | -67.1 | -173.6 | 169.9 | 0 | 0 | 111.3 | A17 F18 L22 A23 A24 | A17-E20 PolarHBondContact O-N 3.1Å; A17-E20 VanDerWaalsContact O-N 3.11Å; F18-E20 VanDerWaalsContact C-N 3.31Å; F18-E20 PolarHBondContact O-N 3.39Å; E20-L22 VanDerWaalsContact C-N 3.28Å; E20-L22 PolarHBondContact O-N 3.37Å; E20-A23 PolarHBondContact O-N 2.94Å; E20-A24 PolarHBondContact O-N 3.03Å |
| 21 | H | 93.3 | Very high | 94.3 | Very high | 26 Ų | 26 | 77.4 Ų | 77.4 | 12% | 0.12 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.9 | -35.4 | 174.6 | -62.4 | -55.5 | 0 | 0 | 0 | 112.4 | A17 F18 F62 A65 V66 E69 | A17-H21 PolarHBondContact O-CD2 3.4Å; A17-H21 PolarHBondContact O-N 2.86Å; A17-H21 VanDerWaalsContact O-N 3.12Å; F18-H21 PolarHBondContact O-N 3.38Å; H21-F62 HydrophobicContact CB-CD2 4.45Å; H21-F62 HydrophobicContact CB-CE2 3.82Å; H21-F62 HydrophobicContact CB-CZ 3.85Å; H21-A65 HydrophobicContact CB-CB 4.14Å; H21-A65 PolarHBondContact CE1-O 3.34Å; H21-A65 PolarHBondContact ND1-O 3.03Å; H21-A65 VanDerWaalsContact ND1-O 3.1Å; H21-V66 HydrophobicContact CB-CG2 4.38Å; H21-E69 IonicContact CE1-OE1 3.99Å; H21-E69 IonicContact NE2-OE1 3.93Å; H21-E69 IonicContact NE2-OE2 3.9Å |
| 22 | L | 93.4 | Very high | 94.7 | Very high | 57 Ų | 57 | 78.5 Ų | 78.5 | 30% | 0.298 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.3 | -41.8 | 175.9 | -174.6 | 60.6 | 0 | 0 | 0 | 111.1 | F18 P19 E20 A24 C25 G26 A29 L58 F62 | F18-L22 HydrophobicContact CE1-CB 4.37Å; F18-L22 HydrophobicContact CE1-CD2 3.82Å; F18-L22 HydrophobicContact CZ-CD2 4.14Å; F18-L22 WeakPolarHBondContact O-CB 3.4Å; F18-L22 PolarHBondContact O-N 2.99Å; P19-L22 PolarHBondContact O-N 2.63Å; E20-L22 VanDerWaalsContact C-N 3.28Å; E20-L22 PolarHBondContact O-N 3.37Å; L22-A24 VanDerWaalsContact C-N 3.29Å; L22-A24 PolarHBondContact O-N 3.28Å; L22-C25 CarbonylContact O-C 3.39Å; L22-C25 PolarHBondContact O-N 3.43Å; L22-G26 PolarHBondContact O-N 3.46Å; L22-A29 HydrophobicContact CD1-CB 4.16Å; L22-L58 HydrophobicContact CD1-CD1 4.22Å; L22-F62 HydrophobicContact CB-CE2 3.88Å; L22-F62 HydrophobicContact CD1-CD2 4.27Å; L22-F62 HydrophobicContact CD1-CE2 4.28Å |
| 23 | A | 94.4 | Very high | 94.9 | Very high | 73 Ų | 73 | 73 Ų | 73 | 60% | 0.603 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62.6 | -36.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P19 E20 C25 G26 | P19-A23 VanDerWaalsContact O-CB 3.31Å; P19-A23 WeakPolarHBondContact O-CB 3.3Å; P19-A23 PolarHBondContact O-N 3.1Å; E20-A23 PolarHBondContact O-N 2.94Å; A23-C25 PolarHBondContact O-N 3.44Å; A23-G26 PolarHBondContact O-N 3.2Å; A23-G26 VanDerWaalsContact O-N 3.12Å |
| 24 | A | 95.2 | Very high | 95.2 | Very high | 71 Ų | 71 | 75.8 Ų | 75.8 | 59% | 0.587 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.3 | -25.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E20 L22 | E20-A24 PolarHBondContact O-N 3.03Å; L22-A24 VanDerWaalsContact C-N 3.29Å; L22-A24 PolarHBondContact O-N 3.28Å |
| 25 | C | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 28.3 | 177.5 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | L22 A23 A27 E28 A29 L58 C61 F62 | L22-C25 CarbonylContact O-C 3.39Å; L22-C25 PolarHBondContact O-N 3.43Å; A23-C25 PolarHBondContact O-N 3.44Å; C25-A27 VanDerWaalsContact C-N 3.26Å; C25-A27 PolarHBondContact O-N 3.02Å; C25-E28 PolarHBondContact O-N 3.13Å; C25-A29 WeakPolarHBondContact O-CB 3.34Å; C25-A29 PolarHBondContact O-N 3.22Å; C25-L58 HydrophobicContact CB-CD1 4.03Å; C25-C61 WeakPolarHBondContact CA-SG 3.24Å; C25-C61 HydrophobicContact CB-CB 3.81Å; C25-C61 WeakPolarHBondContact CB-SG 3.44Å; C25-C61 WeakPolarHBondContact SG-CB 3.48Å; C25-C61 PolarHBondContact SG-O 3.05Å; C25-C61 CovalentContact SG-SG 2.04Å; C25-C61 PolarHBondContact SG-SG 3.43Å; C25-F62 PolarHBondContact SG-N 3.42Å; C25-F62 VanDerWaalsContact SG-N 3.41Å |
| 26 | G | 96.7 | Very high | 95.9 | Very high | 36 Ų | 36 | 64.1 Ų | 64.1 | 37% | 0.371 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.8 | -31.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L22 A23 S30 | L22-G26 PolarHBondContact O-N 3.46Å; A23-G26 PolarHBondContact O-N 3.2Å; A23-G26 VanDerWaalsContact O-N 3.12Å; G26-S30 VanDerWaalsContact O-CB 3.29Å; G26-S30 WeakPolarHBondContact O-CB 3.4Å; G26-S30 PolarHBondContact O-N 3.41Å |
| 27 | A | 97.8 | Very high | 96 | Very high | 74 Ų | 74 | 62.1 Ų | 62.1 | 61% | 0.612 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.3 | -49.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C25 A29 S30 A31 | C25-A27 VanDerWaalsContact C-N 3.26Å; C25-A27 PolarHBondContact O-N 3.02Å; A27-A29 VanDerWaalsContact C-N 3.35Å; A27-S30 PolarHBondContact O-N 3.38Å; A27-A31 PolarHBondContact O-N 2.98Å |
| 28 | E | 98.1 | Very high | 96.2 | Very high | 65 Ų | 65 | 64.8 Ų | 64.8 | 30% | 0.304 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 177 | -62.7 | 82 | 173.5 | 0 | 0 | 111 | C25 S30 A31 Y32 A57 L58 C61 | C25-E28 PolarHBondContact O-N 3.13Å; E28-S30 PolarHBondContact O-N 2.86Å; E28-A31 PolarHBondContact O-N 2.97Å; E28-Y32 PolarHBondContact O-N 3.26Å; E28-A57 HydrophobicContact CG-CB 4.29Å; E28-L58 HydrophobicContact CB-CB 4.04Å; E28-L58 HydrophobicContact CB-CD1 4.17Å; E28-C61 HydrophobicContact CG-CB 4.31Å |
| 29 | A | 97.6 | Very high | 96.2 | Very high | 27 Ų | 27 | 61.2 Ų | 61.2 | 22% | 0.223 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L22 C25 A27 G33 L58 | L22-A29 HydrophobicContact CD1-CB 4.16Å; C25-A29 WeakPolarHBondContact O-CB 3.34Å; C25-A29 PolarHBondContact O-N 3.22Å; A27-A29 VanDerWaalsContact C-N 3.35Å; A29-G33 PolarHBondContact O-N 2.77Å; A29-L58 HydrophobicContact CB-CD1 3.84Å; A29-L58 HydrophobicContact CB-CD2 4.46Å |
| 30 | S | 98.3 | Very high | 96.3 | Very high | 54 Ų | 54 | 61.3 Ų | 61.3 | 38% | 0.378 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 174.9 | -172.6 | 0 | 0 | 0 | 0 | 111.8 | G26 A27 E28 G33 K34 | G26-S30 VanDerWaalsContact O-CB 3.29Å; G26-S30 WeakPolarHBondContact O-CB 3.4Å; G26-S30 PolarHBondContact O-N 3.41Å; A27-S30 PolarHBondContact O-N 3.38Å; E28-S30 PolarHBondContact O-N 2.86Å; S30-G33 PolarHBondContact O-N 3.2Å; S30-K34 WeakPolarHBondContact O-CB 3.28Å; S30-K34 VanDerWaalsContact O-CG 3.26Å; S30-K34 WeakPolarHBondContact O-CG 3.28Å; S30-K34 PolarHBondContact O-N 3.1Å; S30-K34 WeakPolarHBondContact OG-CE 3.45Å; S30-K34 PolarHBondContact OG-NZ 3.38Å |
| 31 | A | 98.4 | Very high | 96.2 | Very high | 46 Ų | 46 | 57 Ų | 57 | 38% | 0.38 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A27 E28 K34 C35 E54 | A27-A31 PolarHBondContact O-N 2.98Å; E28-A31 PolarHBondContact O-N 2.97Å; A31-K34 PolarHBondContact O-N 3.43Å; A31-C35 PolarHBondContact O-N 3.01Å; A31-C35 VanDerWaalsContact O-N 3.1Å; A31-E54 HydrophobicContact CB-CG 4.5Å |
| 32 | Y | 98 | Very high | 96.2 | Very high | 78 Ų | 78 | 62.6 Ų | 62.6 | 31% | 0.306 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 176.3 | 177.3 | -115 | 0 | 0 | 0 | 112 | E28 K34 C35 V36 C51 E54 F55 L58 | E28-Y32 PolarHBondContact O-N 3.26Å; Y32-K34 VanDerWaalsContact C-N 3.34Å; Y32-K34 PolarHBondContact O-N 2.92Å; Y32-C35 PolarHBondContact O-N 3.42Å; Y32-V36 HydrophobicContact CD2-CG2 4.24Å; Y32-V36 HydrophobicContact CE1-CG2 4.1Å; Y32-V36 HydrophobicContact CE2-CG2 3.76Å; Y32-V36 WeakPolarHBondContact O-CG2 3.45Å; Y32-V36 PolarHBondContact O-N 2.89Å; Y32-C51 HydrophobicContact CD2-CB 3.97Å; Y32-C51 HydrophobicContact CE2-CB 3.79Å; Y32-E54 HydrophobicContact CD2-CB 4.1Å; Y32-F55 HydrophobicContact CD2-CB 3.88Å; Y32-F55 HydrophobicContact CE1-CD2 4.49Å; Y32-F55 HydrophobicContact CE2-CB 3.74Å; Y32-F55 HydrophobicContact CE2-CD2 4.18Å; Y32-F55 HydrophobicContact CE2-CG 4.39Å; Y32-L58 HydrophobicContact CD1-CD2 3.92Å; Y32-L58 HydrophobicContact CG-CD2 4.27Å |
| 33 | G | 96.8 | Very high | 96 | Very high | 35 Ų | 35 | 64.2 Ų | 64.2 | 36% | 0.361 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.1 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A29 S30 V36 Q37 | A29-G33 PolarHBondContact O-N 2.77Å; S30-G33 PolarHBondContact O-N 3.2Å; G33-V36 PolarHBondContact O-N 3.02Å; G33-Q37 VanDerWaalsContact O-CB 3.28Å; G33-Q37 WeakPolarHBondContact O-CB 3.07Å; G33-Q37 PolarHBondContact O-N 3.12Å |
| 34 | K | 98 | Very high | 95.8 | Very high | 133 Ų | 133 | 62.9 Ų | 62.9 | 58% | 0.578 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.4 | -43.9 | 175.7 | -73.9 | 168 | -176.8 | 171.7 | 0 | 112 | S30 A31 Y32 Q37 A38 | S30-K34 WeakPolarHBondContact O-CB 3.28Å; S30-K34 VanDerWaalsContact O-CG 3.26Å; S30-K34 WeakPolarHBondContact O-CG 3.28Å; S30-K34 PolarHBondContact O-N 3.1Å; S30-K34 WeakPolarHBondContact OG-CE 3.45Å; S30-K34 PolarHBondContact OG-NZ 3.38Å; A31-K34 PolarHBondContact O-N 3.43Å; Y32-K34 VanDerWaalsContact C-N 3.34Å; Y32-K34 PolarHBondContact O-N 2.92Å; K34-Q37 PolarHBondContact O-N 2.85Å; K34-A38 WeakPolarHBondContact O-CB 3.29Å; K34-A38 PolarHBondContact O-N 3.37Å |
| 35 | C | 97.8 | Very high | 95.6 | Very high | 28 Ų | 28 | 70 Ų | 70 | 19% | 0.189 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.1 | -49.9 | 175.7 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | A31 Y32 Q37 A38 S39 C51 E54 | A31-C35 PolarHBondContact O-N 3.01Å; A31-C35 VanDerWaalsContact O-N 3.1Å; Y32-C35 PolarHBondContact O-N 3.42Å; C35-Q37 PolarHBondContact O-N 3.37Å; C35-A38 PolarHBondContact O-N 3.3Å; C35-S39 WeakPolarHBondContact O-CB 3.43Å; C35-S39 PolarHBondContact O-N 2.75Å; C35-S39 PolarHBondContact O-OG 3.43Å; C35-C51 HydrophobicContact CB-CB 3.84Å; C35-C51 WeakPolarHBondContact CB-SG 3.44Å; C35-C51 WeakPolarHBondContact SG-CA 3.42Å; C35-C51 WeakPolarHBondContact SG-CB 3.36Å; C35-C51 CovalentContact SG-SG 2.04Å; C35-C51 PolarHBondContact SG-SG 3.39Å; C35-E54 HydrophobicContact CB-CG 4.21Å |
| 36 | V | 97.3 | Very high | 95.4 | Very high | 32 Ų | 32 | 73.8 Ų | 73.8 | 19% | 0.194 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 178.8 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | Y32 G33 A38 S39 T40 L46 C51 | Y32-V36 HydrophobicContact CD2-CG2 4.24Å; Y32-V36 HydrophobicContact CE1-CG2 4.1Å; Y32-V36 HydrophobicContact CE2-CG2 3.76Å; Y32-V36 WeakPolarHBondContact O-CG2 3.45Å; Y32-V36 PolarHBondContact O-N 2.89Å; G33-V36 PolarHBondContact O-N 3.02Å; V36-A38 PolarHBondContact O-N 2.8Å; V36-S39 WeakPolarHBondContact O-CB 3.41Å; V36-S39 PolarHBondContact O-N 3.22Å; V36-S39 VanDerWaalsContact O-N 3.1Å; V36-T40 HydrophobicContact CG1-CG2 4.47Å; V36-T40 WeakPolarHBondContact O-CG2 3.33Å; V36-T40 PolarHBondContact O-N 3.48Å; V36-T40 PolarHBondContact O-OG1 3.34Å; V36-L46 HydrophobicContact CG1-CD1 4.45Å; V36-L46 HydrophobicContact CG1-CD2 3.99Å; V36-L46 HydrophobicContact CG2-CD1 4.39Å; V36-C51 HydrophobicContact CG2-CB 4.47Å; V36-C51 PolarHBondContact N-SG 2.94Å |
| 37 | Q | 96.2 | Very high | 95.2 | Very high | 143 Ų | 143 | 75.4 Ų | 75.4 | 67% | 0.668 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -58.5 | -49.5 | -179.7 | -173.6 | 177.7 | 26.2 | 0 | 0 | 111.7 | G33 K34 C35 S39 T40 A41 | G33-Q37 VanDerWaalsContact O-CB 3.28Å; G33-Q37 WeakPolarHBondContact O-CB 3.07Å; G33-Q37 PolarHBondContact O-N 3.12Å; K34-Q37 PolarHBondContact O-N 2.85Å; C35-Q37 PolarHBondContact O-N 3.37Å; Q37-S39 PolarHBondContact O-N 3.05Å; Q37-T40 PolarHBondContact O-N 3.44Å; Q37-T40 VanDerWaalsContact O-N 3.13Å; Q37-T40 PolarHBondContact O-OG1 2.04Å; Q37-A41 PolarHBondContact O-N 3.48Å |
| 38 | A | 95.5 | Very high | 94.6 | Very high | 73 Ų | 73 | 80.8 Ų | 80.8 | 60% | 0.603 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -58.4 | -36.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | K34 C35 V36 T40 A41 | K34-A38 WeakPolarHBondContact O-CB 3.29Å; K34-A38 PolarHBondContact O-N 3.37Å; C35-A38 PolarHBondContact O-N 3.3Å; V36-A38 PolarHBondContact O-N 2.8Å; A38-T40 VanDerWaalsContact C-N 3.31Å; A38-T40 PolarHBondContact O-N 2.89Å; A38-A41 VanDerWaalsContact O-CB 3.25Å; A38-A41 WeakPolarHBondContact O-CB 3.26Å; A38-A41 PolarHBondContact O-N 3.41Å |
| 39 | S | 93.7 | Very high | 94.4 | Very high | 19 Ų | 19 | 82.6 Ų | 82.6 | 13% | 0.133 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -76.8 | -18.3 | -178.6 | -53 | 0 | 0 | 0 | 0 | 113.9 | C35 V36 Q37 G44 R45 L50 | C35-S39 WeakPolarHBondContact O-CB 3.43Å; C35-S39 PolarHBondContact O-N 2.75Å; C35-S39 PolarHBondContact O-OG 3.43Å; V36-S39 WeakPolarHBondContact O-CB 3.41Å; V36-S39 PolarHBondContact O-N 3.22Å; V36-S39 VanDerWaalsContact O-N 3.1Å; Q37-S39 PolarHBondContact O-N 3.05Å; S39-G44 CarbonylContact O-C 3.31Å; S39-G44 VanDerWaalsContact O-C 3.31Å; S39-G44 WeakPolarHBondContact O-CA 3.44Å; S39-R45 PolarHBondContact O-N 3.03Å; S39-L50 WeakPolarHBondContact OG-CD2 2.98Å |
| 40 | T | 94.1 | Very high | 94.4 | Very high | 83 Ų | 83 | 85.9 Ų | 85.9 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 5.8 | 174.2 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | V36 Q37 A38 L46 | V36-T40 HydrophobicContact CG1-CG2 4.47Å; V36-T40 WeakPolarHBondContact O-CG2 3.33Å; V36-T40 PolarHBondContact O-N 3.48Å; V36-T40 PolarHBondContact O-OG1 3.34Å; Q37-T40 PolarHBondContact O-N 3.44Å; Q37-T40 VanDerWaalsContact O-N 3.13Å; Q37-T40 PolarHBondContact O-OG1 2.04Å; A38-T40 VanDerWaalsContact C-N 3.31Å; A38-T40 PolarHBondContact O-N 2.89Å; T40-L46 HydrophobicContact CG2-CB 4.18Å; T40-L46 HydrophobicContact CG2-CD2 4.41Å |
| 41 | A | 92.6 | Very high | 94.3 | Very high | 45 Ų | 45 | 83.5 Ų | 83.5 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -57 | 159.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q37 A38 G43 G44 | Q37-A41 PolarHBondContact O-N 3.48Å; A38-A41 VanDerWaalsContact O-CB 3.25Å; A38-A41 WeakPolarHBondContact O-CB 3.26Å; A38-A41 PolarHBondContact O-N 3.41Å; A41-G43 PolarHBondContact O-N 3.12Å; A41-G44 WeakPolarHBondContact O-CA 3.37Å; A41-G44 PolarHBondContact O-N 3.2Å |
| 42 | P | 93.7 | Very high | 94.3 | Very high | 142 Ų | 142 | 83.7 Ų | 83.7 | 92% | 0.922 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 126 | -179.5 | -27.6 | 35.5 | 0 | 0 | 0 | 112.5 | G44 | P42-G44 PolarHBondContact O-N 3.5Š|
| 43 | G | 89.6 | Confident | 94.3 | Very high | 92 Ų | 92 | 88.6 Ų | 88.6 | 95% | 0.948 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -8.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A41 | A41-G43 PolarHBondContact O-N 3.12Š|
| 44 | G | 89.4 | Confident | 94.4 | Very high | 44 Ų | 44 | 89.3 Ų | 89.3 | 45% | 0.454 | 50% | 0.497 | S | S | . | . | trans | -73.5 | 155.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S39 A41 P42 | S39-G44 CarbonylContact O-C 3.31Å; S39-G44 VanDerWaalsContact O-C 3.31Å; S39-G44 WeakPolarHBondContact O-CA 3.44Å; A41-G44 WeakPolarHBondContact O-CA 3.37Å; A41-G44 PolarHBondContact O-N 3.2Å; P42-G44 PolarHBondContact O-N 3.5Å | ||
| 45 | R | 90.8 | Very high | 94.3 | Very high | 220 Ų | 220 | 87.3 Ų | 87.3 | 83% | 0.83 | 49% | 0.488 | S | S | * | . | trans | -135.3 | 114.1 | 174.1 | 179 | 174.2 | -68.9 | -87.1 | -1.3 | 108.9 | S39 S47 | S39-R45 PolarHBondContact O-N 3.03Å; R45-S47 PolarHBondContact O-N 2.88Å | ||
| 46 | L | 93.3 | Very high | 94.3 | Very high | 81 Ų | 81 | 91.1 Ų | 91.1 | 42% | 0.424 | 50% | 0.503 | S | S | . | . | trans | -70.9 | 128.2 | 170.4 | -171.4 | 66.1 | 0 | 0 | 0 | 109.6 | V36 T40 L50 | V36-L46 HydrophobicContact CG1-CD1 4.45Å; V36-L46 HydrophobicContact CG1-CD2 3.99Å; V36-L46 HydrophobicContact CG2-CD1 4.39Å; T40-L46 HydrophobicContact CG2-CB 4.18Å; T40-L46 HydrophobicContact CG2-CD2 4.41Å; L46-L50 HydrophobicContact CD1-CD2 4.34Å | ||
| 47 | S | 92.6 | Very high | 94.3 | Very high | 70 Ų | 70 | 91.9 Ų | 91.9 | 49% | 0.49 | 51% | 0.513 | S | S | . | . | trans | -122.5 | 153.6 | 167.4 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | R45 D49 L50 | R45-S47 PolarHBondContact O-N 2.88Å; S47-D49 VanDerWaalsContact C-N 3.26Å; S47-D49 PolarHBondContact O-N 3.33Å; S47-L50 VanDerWaalsContact O-CB 3.28Å; S47-L50 WeakPolarHBondContact O-CB 3.26Å; S47-L50 PolarHBondContact O-N 3.08Å; S47-L50 VanDerWaalsContact O-N 3.15Å | ||
| 48 | K | 86.2 | Confident | 94.4 | Very high | 187 Ų | 187 | 86.1 Ų | 86.1 | 81% | 0.813 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -44.4 | -173.2 | 180 | -173.1 | 165.8 | -165.1 | 0 | 112.9 | L50 | K48-L50 VanDerWaalsContact C-N 3.34Š|
| 49 | D | 93.8 | Very high | 94.4 | Very high | 103 Ų | 103 | 90.9 Ų | 90.9 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -1.2 | -170.7 | -50.4 | -54.3 | 0 | 0 | 0 | 113.1 | S47 V52 | S47-D49 VanDerWaalsContact C-N 3.26Å; S47-D49 PolarHBondContact O-N 3.33Å; D49-V52 WeakPolarHBondContact O-CB 3.05Å; D49-V52 VanDerWaalsContact O-CG1 3.27Å; D49-V52 WeakPolarHBondContact O-CG1 3.34Å; D49-V52 PolarHBondContact O-N 3.02Å |
| 50 | L | 96.4 | Very high | 94.5 | Very high | 95 Ų | 95 | 93.7 Ų | 93.7 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -38.8 | -174.1 | -167.9 | 101.8 | 0 | 0 | 0 | 112.8 | S39 L46 S47 K48 | S39-L50 WeakPolarHBondContact OG-CD2 2.98Å; L46-L50 HydrophobicContact CD1-CD2 4.34Å; S47-L50 VanDerWaalsContact O-CB 3.28Å; S47-L50 WeakPolarHBondContact O-CB 3.26Å; S47-L50 PolarHBondContact O-N 3.08Å; S47-L50 VanDerWaalsContact O-N 3.15Å; K48-L50 VanDerWaalsContact C-N 3.34Å |
| 51 | C | 97.4 | Very high | 94.6 | Very high | 4 Ų | 4 | 91.2 Ų | 91.2 | 3% | 0.027 | 49% | 0.494 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 29.6 | 177.7 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | Y32 C35 V36 R53 E54 F55 | Y32-C51 HydrophobicContact CD2-CB 3.97Å; Y32-C51 HydrophobicContact CE2-CB 3.79Å; C35-C51 HydrophobicContact CB-CB 3.84Å; C35-C51 WeakPolarHBondContact CB-SG 3.44Å; C35-C51 WeakPolarHBondContact SG-CA 3.42Å; C35-C51 WeakPolarHBondContact SG-CB 3.36Å; C35-C51 CovalentContact SG-SG 2.04Å; C35-C51 PolarHBondContact SG-SG 3.39Å; V36-C51 HydrophobicContact CG2-CB 4.47Å; V36-C51 PolarHBondContact N-SG 2.94Å; C51-R53 VanDerWaalsContact C-N 3.31Å; C51-R53 PolarHBondContact O-N 3.32Å; C51-E54 WeakPolarHBondContact CA-OE2 3.42Å; C51-E54 PolarHBondContact O-N 2.85Å; C51-F55 WeakPolarHBondContact O-CB 3.49Å; C51-F55 PolarHBondContact O-N 2.84Å |
| 52 | V | 97.6 | Very high | 94.7 | Very high | 50 Ų | 50 | 91.2 Ų | 91.2 | 30% | 0.303 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -36.3 | -171.1 | 67.9 | 0 | 0 | 0 | 0 | 112.3 | D49 F55 E56 | D49-V52 WeakPolarHBondContact O-CB 3.05Å; D49-V52 VanDerWaalsContact O-CG1 3.27Å; D49-V52 WeakPolarHBondContact O-CG1 3.34Å; D49-V52 PolarHBondContact O-N 3.02Å; V52-F55 PolarHBondContact O-N 3.1Å; V52-E56 HydrophobicContact CG2-CG 4.33Å; V52-E56 WeakPolarHBondContact O-CB 3.3Å; V52-E56 VanDerWaalsContact O-CG 3.29Å; V52-E56 WeakPolarHBondContact O-CG 3.36Å; V52-E56 PolarHBondContact O-N 3.4Å |
| 53 | R | 97.9 | Very high | 94.6 | Very high | 181 Ų | 181 | 87.5 Ų | 87.5 | 68% | 0.683 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66.9 | -45.5 | -178.8 | -68.2 | -177.4 | 62.9 | -106.5 | -0.3 | 111.6 | C51 F55 E56 A57 | C51-R53 VanDerWaalsContact C-N 3.31Å; C51-R53 PolarHBondContact O-N 3.32Å; R53-F55 VanDerWaalsContact C-N 3.32Å; R53-E56 PolarHBondContact O-N 3.23Å; R53-A57 PolarHBondContact O-N 3.44Å; R53-A57 VanDerWaalsContact O-N 3.1Å |
| 54 | E | 98.2 | Very high | 94.7 | Very high | 51 Ų | 51 | 85.6 Ų | 85.6 | 24% | 0.238 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 178 | -62.1 | 69.1 | -154.7 | 0 | 0 | 110.4 | A31 Y32 C35 C51 A57 L58 | A31-E54 HydrophobicContact CB-CG 4.5Å; Y32-E54 HydrophobicContact CD2-CB 4.1Å; C35-E54 HydrophobicContact CB-CG 4.21Å; C51-E54 WeakPolarHBondContact CA-OE2 3.42Å; C51-E54 PolarHBondContact O-N 2.85Å; E54-A57 PolarHBondContact O-N 2.89Å; E54-L58 WeakPolarHBondContact O-CB 3.37Å; E54-L58 PolarHBondContact O-N 2.89Å |
| 55 | F | 97.1 | Very high | 94.7 | Very high | 90 Ų | 90 | 84.2 Ų | 84.2 | 40% | 0.395 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 174.9 | 178.4 | -105.6 | 0 | 0 | 0 | 112.4 | Y32 C51 V52 R53 L58 R59 | Y32-F55 HydrophobicContact CD2-CB 3.88Å; Y32-F55 HydrophobicContact CE1-CD2 4.49Å; Y32-F55 HydrophobicContact CE2-CB 3.74Å; Y32-F55 HydrophobicContact CE2-CD2 4.18Å; Y32-F55 HydrophobicContact CE2-CG 4.39Å; C51-F55 WeakPolarHBondContact O-CB 3.49Å; C51-F55 PolarHBondContact O-N 2.84Å; V52-F55 PolarHBondContact O-N 3.1Å; R53-F55 VanDerWaalsContact C-N 3.32Å; F55-L58 PolarHBondContact O-N 3.12Å; F55-R59 VanDerWaalsContact O-CB 3.26Å; F55-R59 WeakPolarHBondContact O-CB 3.34Å; F55-R59 PolarHBondContact O-N 2.94Å |
| 56 | E | 97.8 | Very high | 94.6 | Very high | 108 Ų | 108 | 75.2 Ų | 75.2 | 51% | 0.505 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 178.2 | -78 | 176.5 | 172.4 | 0 | 0 | 112.1 | V52 R53 R59 S60 | V52-E56 HydrophobicContact CG2-CG 4.33Å; V52-E56 WeakPolarHBondContact O-CB 3.3Å; V52-E56 VanDerWaalsContact O-CG 3.29Å; V52-E56 WeakPolarHBondContact O-CG 3.36Å; V52-E56 PolarHBondContact O-N 3.4Å; R53-E56 PolarHBondContact O-N 3.23Å; E56-R59 PolarHBondContact O-N 3.38Å; E56-S60 VanDerWaalsContact O-CB 3.3Å; E56-S60 WeakPolarHBondContact O-CB 3.47Å; E56-S60 PolarHBondContact O-N 2.9Å; E56-S60 PolarHBondContact O-OG 3.11Å |
| 57 | A | 97.6 | Very high | 93.6 | Very high | 49 Ų | 49 | 74.2 Ų | 74.2 | 41% | 0.405 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E28 R53 E54 R59 S60 C61 | E28-A57 HydrophobicContact CG-CB 4.29Å; R53-A57 PolarHBondContact O-N 3.44Å; R53-A57 VanDerWaalsContact O-N 3.1Å; E54-A57 PolarHBondContact O-N 2.89Å; A57-R59 PolarHBondContact O-N 2.72Å; A57-S60 PolarHBondContact O-N 3.42Å; A57-C61 PolarHBondContact O-N 3.11Å |
| 58 | L | 97.3 | Very high | 91.7 | Very high | 22 Ų | 22 | 77 Ų | 77 | 12% | 0.115 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 176.8 | 175.3 | 58 | 0 | 0 | 0 | 112 | L22 C25 E28 A29 Y32 E54 F55 S60 C61 F62 | L22-L58 HydrophobicContact CD1-CD1 4.22Å; C25-L58 HydrophobicContact CB-CD1 4.03Å; E28-L58 HydrophobicContact CB-CB 4.04Å; E28-L58 HydrophobicContact CB-CD1 4.17Å; A29-L58 HydrophobicContact CB-CD1 3.84Å; A29-L58 HydrophobicContact CB-CD2 4.46Å; Y32-L58 HydrophobicContact CD1-CD2 3.92Å; Y32-L58 HydrophobicContact CG-CD2 4.27Å; E54-L58 WeakPolarHBondContact O-CB 3.37Å; E54-L58 PolarHBondContact O-N 2.89Å; F55-L58 PolarHBondContact O-N 3.12Å; L58-S60 VanDerWaalsContact C-N 3.31Å; L58-S60 PolarHBondContact O-N 3.11Å; L58-C61 PolarHBondContact O-N 3.42Å; L58-F62 WeakPolarHBondContact O-CB 3.31Å; L58-F62 PolarHBondContact O-N 3.01Å |
| 59 | R | 95.9 | Very high | 90 | Very high | 172 Ų | 172 | 74 Ų | 74 | 65% | 0.649 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -59.9 | -42.8 | 178.3 | 179.2 | -175.5 | 175 | -173 | -1.5 | 111.4 | F55 E56 A57 F62 A63 | F55-R59 VanDerWaalsContact O-CB 3.26Å; F55-R59 WeakPolarHBondContact O-CB 3.34Å; F55-R59 PolarHBondContact O-N 2.94Å; E56-R59 PolarHBondContact O-N 3.38Å; A57-R59 PolarHBondContact O-N 2.72Å; R59-F62 PolarHBondContact O-N 3.2Å; R59-A63 WeakPolarHBondContact O-CB 3.47Å; R59-A63 PolarHBondContact O-N 3.35Å |
| 60 | S | 96.3 | Very high | 87.4 | Confident | 79 Ų | 79 | 75.7 Ų | 75.7 | 55% | 0.552 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.3 | -44.7 | -179.3 | -59 | 0 | 0 | 0 | 0 | 111.2 | E56 A57 L58 A63 A64 | E56-S60 VanDerWaalsContact O-CB 3.3Å; E56-S60 WeakPolarHBondContact O-CB 3.47Å; E56-S60 PolarHBondContact O-N 2.9Å; E56-S60 PolarHBondContact O-OG 3.11Å; A57-S60 PolarHBondContact O-N 3.42Å; L58-S60 VanDerWaalsContact C-N 3.31Å; L58-S60 PolarHBondContact O-N 3.11Å; S60-A63 PolarHBondContact O-N 3.39Å; S60-A64 PolarHBondContact O-N 3.41Å; S60-A64 VanDerWaalsContact O-N 3.12Å |
| 61 | C | 96.2 | Very high | 84.8 | Confident | 30 Ų | 30 | 80.8 Ų | 80.8 | 20% | 0.203 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 173.2 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | C25 E28 A57 L58 A63 A64 A65 | C25-C61 WeakPolarHBondContact CA-SG 3.24Å; C25-C61 HydrophobicContact CB-CB 3.81Å; C25-C61 WeakPolarHBondContact CB-SG 3.44Å; C25-C61 WeakPolarHBondContact SG-CB 3.48Å; C25-C61 PolarHBondContact SG-O 3.05Å; C25-C61 CovalentContact SG-SG 2.04Å; C25-C61 PolarHBondContact SG-SG 3.43Å; E28-C61 HydrophobicContact CG-CB 4.31Å; A57-C61 PolarHBondContact O-N 3.11Å; L58-C61 PolarHBondContact O-N 3.42Å; C61-A63 VanDerWaalsContact C-N 3.32Å; C61-A63 PolarHBondContact O-N 3.25Å; C61-A64 WeakPolarHBondContact O-CB 3.37Å; C61-A64 PolarHBondContact O-N 3.17Å; C61-A64 VanDerWaalsContact O-N 3.1Å; C61-A65 PolarHBondContact O-N 3.2Å |
| 62 | F | 93.3 | Very high | 82.2 | Confident | 45 Ų | 45 | 87.3 Ų | 87.3 | 20% | 0.197 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64.2 | -38 | -177.7 | -158.8 | -87 | 0 | 0 | 0 | 112.1 | F18 H21 L22 C25 L58 R59 A64 A65 V66 | F18-F62 HydrophobicContact CD2-CE1 4.09Å; F18-F62 HydrophobicContact CD2-CE2 4.05Å; F18-F62 AromaticContact CD2-CZ 3.32Å; F18-F62 HydrophobicContact CD2-CZ 3.32Å; F18-F62 HydrophobicContact CE2-CE1 4.17Å; F18-F62 AromaticContact CE2-CE2 3.86Å; F18-F62 HydrophobicContact CE2-CE2 3.86Å; F18-F62 AromaticContact CE2-CZ 3.45Å; F18-F62 HydrophobicContact CE2-CZ 3.45Å; F18-F62 VanDerWaalsContact CE2-CZ 3.45Å; F18-F62 HydrophobicContact CG-CZ 4.17Å; F18-F62 HydrophobicContact CZ-CE2 4.42Å; F18-F62 HydrophobicContact CZ-CZ 4.39Å; H21-F62 HydrophobicContact CB-CD2 4.45Å; H21-F62 HydrophobicContact CB-CE2 3.82Å; H21-F62 HydrophobicContact CB-CZ 3.85Å; L22-F62 HydrophobicContact CB-CE2 3.88Å; L22-F62 HydrophobicContact CD1-CD2 4.27Å; L22-F62 HydrophobicContact CD1-CE2 4.28Å; C25-F62 PolarHBondContact SG-N 3.42Å; C25-F62 VanDerWaalsContact SG-N 3.41Å; L58-F62 WeakPolarHBondContact O-CB 3.31Å; L58-F62 PolarHBondContact O-N 3.01Å; R59-F62 PolarHBondContact O-N 3.2Å; F62-A64 VanDerWaalsContact C-N 3.34Å; F62-A65 PolarHBondContact O-N 3.42Å; F62-V66 HydrophobicContact CD1-CG2 3.88Å; F62-V66 HydrophobicContact CE1-CG2 3.63Å; F62-V66 HydrophobicContact CZ-CG2 4.39Å; F62-V66 WeakPolarHBondContact O-CB 3.47Å; F62-V66 VanDerWaalsContact O-CG2 3.3Å; F62-V66 WeakPolarHBondContact O-CG2 3.39Å; F62-V66 PolarHBondContact O-N 2.98Å |
| 63 | A | 92.6 | Very high | 79.7 | Confident | 65 Ų | 65 | 88.7 Ų | 88.7 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R59 S60 C61 G67 | R59-A63 WeakPolarHBondContact O-CB 3.47Å; R59-A63 PolarHBondContact O-N 3.35Å; S60-A63 PolarHBondContact O-N 3.39Å; C61-A63 VanDerWaalsContact C-N 3.32Å; C61-A63 PolarHBondContact O-N 3.25Å; A63-G67 PolarHBondContact O-N 3.39Å |
| 64 | A | 91.8 | Very high | 76.7 | Confident | 52 Ų | 52 | 90 Ų | 90 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S60 C61 F62 V66 G67 Q68 | S60-A64 PolarHBondContact O-N 3.41Å; S60-A64 VanDerWaalsContact O-N 3.12Å; C61-A64 WeakPolarHBondContact O-CB 3.37Å; C61-A64 PolarHBondContact O-N 3.17Å; C61-A64 VanDerWaalsContact O-N 3.1Å; F62-A64 VanDerWaalsContact C-N 3.34Å; A64-V66 VanDerWaalsContact C-N 3.28Å; A64-V66 PolarHBondContact O-N 3.21Å; A64-G67 CarbonylContact O-C 3.53Å; A64-G67 PolarHBondContact O-N 3.07Å; A64-G67 VanDerWaalsContact O-N 3.08Å; A64-Q68 WeakPolarHBondContact O-CG 3.37Å; A64-Q68 PolarHBondContact O-N 3.06Å |
| 65 | A | 89.5 | Confident | 74 | Confident | 14 Ų | 14 | 94.8 Ų | 94.8 | 12% | 0.116 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -61.7 | -35.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H21 C61 F62 | H21-A65 HydrophobicContact CB-CB 4.14Å; H21-A65 PolarHBondContact CE1-O 3.34Å; H21-A65 PolarHBondContact ND1-O 3.03Å; H21-A65 VanDerWaalsContact ND1-O 3.1Å; C61-A65 PolarHBondContact O-N 3.2Å; F62-A65 PolarHBondContact O-N 3.42Å |
| 66 | V | 87.6 | Confident | 71.4 | Confident | 32 Ų | 32 | 96.7 Ų | 96.7 | 19% | 0.194 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -79.2 | -30.6 | 174.1 | 173.4 | 0 | 0 | 0 | 0 | 112 | H21 F62 A64 | H21-V66 HydrophobicContact CB-CG2 4.38Å; F62-V66 HydrophobicContact CD1-CG2 3.88Å; F62-V66 HydrophobicContact CE1-CG2 3.63Å; F62-V66 HydrophobicContact CZ-CG2 4.39Å; F62-V66 WeakPolarHBondContact O-CB 3.47Å; F62-V66 VanDerWaalsContact O-CG2 3.3Å; F62-V66 WeakPolarHBondContact O-CG2 3.39Å; F62-V66 PolarHBondContact O-N 2.98Å; A64-V66 VanDerWaalsContact C-N 3.28Å; A64-V66 PolarHBondContact O-N 3.21Å |
| 67 | G | 71.8 | Confident | 68.8 | Low | 59 Ų | 59 | 95 Ų | 95 | 61% | 0.608 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -78.9 | -15.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A63 A64 E69 | A63-G67 PolarHBondContact O-N 3.39Å; A64-G67 CarbonylContact O-C 3.53Å; A64-G67 PolarHBondContact O-N 3.07Å; A64-G67 VanDerWaalsContact O-N 3.08Å; G67-E69 VanDerWaalsContact C-N 3.26Å; G67-E69 PolarHBondContact O-N 3.02Å |
| 68 | Q | 54.3 | Low | 65.9 | Low | 130 Ų | 130 | 103.5 Ų | 103.5 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 5.2 | 173.6 | -80.3 | -165.7 | -102 | 0 | 0 | 113.9 | A64 D70 | A64-Q68 WeakPolarHBondContact O-CG 3.37Å; A64-Q68 PolarHBondContact O-N 3.06Å; Q68-D70 PolarHBondContact O-N 3.41Å |
| 69 | E | 48.8 | Very low | 63.4 | Low | 123 Ų | 123 | 106.8 Ų | 106.8 | 58% | 0.575 | 60% | 0.597 | S | S | * | * | trans | -75 | 69.3 | 167.4 | -61.6 | -155.4 | 106.7 | 0 | 0 | 110.2 | H21 G67 | H21-E69 IonicContact CE1-OE1 3.99Å; H21-E69 IonicContact NE2-OE1 3.93Å; H21-E69 IonicContact NE2-OE2 3.9Å; G67-E69 VanDerWaalsContact C-N 3.26Å; G67-E69 PolarHBondContact O-N 3.02Å | ||
| 70 | D | 40.8 | Very low | 61.1 | Low | 139 Ų | 139 | 104.4 Ų | 104.4 | 74% | 0.743 | 60% | 0.602 | S | S | * | * | trans | -69.4 | 149.8 | 162.4 | -88.2 | -50.4 | 0 | 0 | 0 | 110.1 | Q68 D72 | Q68-D70 PolarHBondContact O-N 3.41Å; D70-D72 PolarHBondContact O-N 3.11Å | ||
| 71 | H | 41.1 | Very low | 58.3 | Low | 202 Ų | 202 | 103.3 Ų | 103.3 | 94% | 0.935 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.5 | 13.6 | -167.8 | -103.9 | -71.9 | 0 | 0 | 0 | 120 | ||
| 72 | D | 41.8 | Very low | 55.8 | Low | 140 Ų | 140 | 108.8 Ų | 108.8 | 75% | 0.749 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.1 | 8.9 | -169.6 | -158.2 | -113.9 | 0 | 0 | 0 | 115.5 | D70 R74 | D70-D72 PolarHBondContact O-N 3.11Å; D72-R74 PolarHBondContact O-N 3.21Å |
| 73 | G | 45 | Very low | 53.4 | Low | 79 Ų | 79 | 115.5 Ų | 115.5 | 81% | 0.814 | 67% | 0.667 | S | S | * | * | trans | 57.1 | 25.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L75 | G73-L75 PolarHBondContact O-N 3.48Š| ||
| 74 | R | 36 | Very low | 51 | Low | 208 Ų | 208 | 116.3 Ų | 116.3 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | trans | -88.3 | 106.3 | 178.6 | -162 | 172.5 | -160.5 | -138 | 2.6 | 109.5 | D72 L76 | D72-R74 PolarHBondContact O-N 3.21Å; R74-L76 PolarHBondContact O-N 3.39Å | ||
| 75 | L | 42 | Very low | 48.7 | Very low | 152 Ų | 152 | 122.1 Ų | 122.1 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | trans | -49.5 | 99.3 | 162.9 | -82.1 | 151.1 | 0 | 0 | 0 | 108.9 | G73 G77 | G73-L75 PolarHBondContact O-N 3.48Å; L75-G77 PolarHBondContact O-N 2.95Å | ||
| 76 | L | 42.9 | Very low | 46.3 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | trans | -69.6 | 86.7 | 159 | -75.1 | 170.5 | 0 | 0 | 0 | 105.8 | R74 R78 | R74-L76 PolarHBondContact O-N 3.39Å; L76-R78 PolarHBondContact O-N 2.92Å | ||
| 77 | G | 42.7 | Very low | 44.3 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | -56.6 | 86.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | L75 A79 | L75-G77 PolarHBondContact O-N 2.95Å; G77-A79 PolarHBondContact O-N 3.24Å | ||
| 78 | R | 36.8 | Very low | 42.8 | Very low | 226 Ų | 226 | 139.6 Ų | 139.6 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -80.5 | 90 | 154.9 | -163.7 | 171.9 | 174.1 | 135.5 | -1.5 | 104.8 | L76 V80 | L76-R78 PolarHBondContact O-N 2.92Å; R78-V80 VanDerWaalsContact C-N 3.29Å; R78-V80 PolarHBondContact O-N 2.89Å | ||
| 79 | A | 43.7 | Very low | 42.2 | Very low | 91 Ų | 91 | 140.2 Ų | 140.2 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -47.6 | 103.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | G77 G81 | G77-A79 PolarHBondContact O-N 3.24Å; A79-G81 PolarHBondContact O-N 3.19Å | ||
| 80 | V | 47.8 | Very low | 41.8 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 75% | 0.745 | 82% | 0.816 | S | S | * | * | trans | -70.6 | 94 | 160.3 | 177.7 | 0 | 0 | 0 | 0 | 103.5 | R78 V82 | R78-V80 VanDerWaalsContact C-N 3.29Å; R78-V80 PolarHBondContact O-N 2.89Å; V80-V82 PolarHBondContact O-N 3.25Å | ||
| 81 | G | 37.3 | Very low | 41.8 | Very low | 55 Ų | 55 | 141.3 Ų | 141.3 | 57% | 0.567 | 82% | 0.821 | S | S | * | * | trans | -51.4 | 112 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | A79 E83 | A79-G81 PolarHBondContact O-N 3.19Å; G81-E83 PolarHBondContact O-N 3.37Å | ||
| 82 | V | 44.2 | Very low | 41.9 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -69.6 | 80.5 | 151.6 | 163.6 | 0 | 0 | 0 | 0 | 105.5 | V80 | V80-V82 PolarHBondContact O-N 3.25Š| ||
| 83 | E | 42.4 | Very low | 41.9 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | trans | -136.1 | 84.7 | 162.2 | -69.5 | -163.4 | 104 | 0 | 0 | 107.1 | G81 | G81-E83 PolarHBondContact O-N 3.37Š| ||
| 84 | A | 41.8 | Very low | 41.7 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 68% | 0.678 | 82% | 0.818 | S | S | * | * | trans | -171.2 | 90.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 85 | L | 45 | Very low | 42.1 | Very low | 175 Ų | 175 | 136 Ų | 136 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | 69.5 | 98.1 | 134.5 | -54.5 | 144.6 | 0 | 0 | 0 | 118.1 | ||||
| 86 | S | 39.1 | Very low | 42.2 | Very low | 193 Ų | 193 | 134.5 Ų | 134.5 | 100% | 1.35 | 82% | 0.823 | S | S | * | * | -174.4 | 0 | 90.5 | -156.6 | 0 | 0 | 0 | 0 | 112.4 |
Retrieved 86 of 86 residues in 151.6 ms
(Link to these results)