| 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 | 52.2 | Low | 72.6 | Confident | 228 Ų | 228 | 151.5 Ų | 151.5 | 100% | 1.123 | 67% | 0.673 | S | S | * | * | 0 | 80.8 | 0 | -77.3 | 173.1 | 153 | 0 | 0 | 109.5 | |||||
| 2 | Y | 60 | Low | 74.1 | Confident | 164 Ų | 164 | 153.7 Ų | 153.7 | 64% | 0.643 | 67% | 0.672 | S | S | * | * | trans | -126.6 | -13.5 | 178.7 | -112.5 | -82 | 0 | 0 | 0 | 113.3 | N4 F6 | Y2-N4 VanDerWaalsContact C-N 3.26Å; Y2-N4 PolarHBondContact O-N 2.97Å; Y2-F6 AromaticContact CD1-CE2 3.86Å; Y2-F6 HydrophobicContact CD1-CE2 3.86Å; Y2-F6 VanDerWaalsContact O-CD2 3.29Å; Y2-F6 WeakPolarHBondContact O-CD2 3.34Å | ||
| 3 | R | 61.6 | Low | 75.6 | Confident | 220 Ų | 220 | 147.2 Ų | 147.2 | 83% | 0.83 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67 | -24.6 | -176.4 | -71.8 | 177 | 115.3 | 177.1 | 1.7 | 113.8 | T7 | R3-T7 PolarHBondContact O-N 3.19Å; R3-T7 PolarHBondContact O-OG1 3.1Å |
| 4 | N | 65.2 | Low | 76.8 | Confident | 126 Ų | 126 | 141.4 Ų | 141.4 | 67% | 0.674 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -80.7 | -26.5 | -173.9 | -63.8 | -11.7 | 0 | 0 | 0 | 112.8 | Y2 T7 A8 | Y2-N4 VanDerWaalsContact C-N 3.26Å; Y2-N4 PolarHBondContact O-N 2.97Å; N4-T7 VanDerWaalsContact C-OG1 3.31Å; N4-T7 VanDerWaalsContact CA-OG1 3.24Å; N4-T7 WeakPolarHBondContact CA-OG1 3.49Å; N4-T7 PolarHBondContact O-OG1 3.45Å; N4-A8 PolarHBondContact O-N 3.08Å |
| 5 | E | 66.8 | Low | 77.9 | Confident | 125 Ų | 125 | 137.2 Ų | 137.2 | 58% | 0.584 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76.5 | -44.1 | -179.5 | -62.1 | -177.1 | 165.2 | 0 | 0 | 111 | T7 A8 W9 | E5-T7 VanDerWaalsContact C-N 3.31Å; E5-T7 PolarHBondContact O-N 3.06Å; E5-A8 PolarHBondContact O-N 2.98Å; E5-W9 PolarHBondContact O-N 3.38Å; E5-W9 VanDerWaalsContact O-N 3.16Å |
| 6 | F | 67 | Low | 79.1 | Confident | 141 Ų | 141 | 134.6 Ų | 134.6 | 62% | 0.618 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63 | -36.8 | 175.4 | -70.9 | -71.1 | 0 | 0 | 0 | 112.7 | Y2 W9 Y10 | Y2-F6 AromaticContact CD1-CE2 3.86Å; Y2-F6 HydrophobicContact CD1-CE2 3.86Å; Y2-F6 VanDerWaalsContact O-CD2 3.29Å; Y2-F6 WeakPolarHBondContact O-CD2 3.34Å; F6-W9 PolarHBondContact O-N 3.16Å; F6-Y10 PolarHBondContact O-N 3.36Å |
| 7 | T | 75.9 | Confident | 80 | Confident | 89 Ų | 89 | 136.5 Ų | 136.5 | 55% | 0.546 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.4 | -35.2 | 177.7 | 34.9 | 0 | 0 | 0 | 0 | 112.4 | R3 N4 E5 R11 | R3-T7 PolarHBondContact O-N 3.19Å; R3-T7 PolarHBondContact O-OG1 3.1Å; N4-T7 VanDerWaalsContact C-OG1 3.31Å; N4-T7 VanDerWaalsContact CA-OG1 3.24Å; N4-T7 WeakPolarHBondContact CA-OG1 3.49Å; N4-T7 PolarHBondContact O-OG1 3.45Å; E5-T7 VanDerWaalsContact C-N 3.31Å; E5-T7 PolarHBondContact O-N 3.06Å; T7-R11 VanDerWaalsContact O-CB 3.31Å; T7-R11 WeakPolarHBondContact O-CB 3.4Å; T7-R11 PolarHBondContact O-N 2.88Å |
| 8 | A | 82.8 | Confident | 80.9 | Confident | 41 Ų | 41 | 130.6 Ų | 130.6 | 34% | 0.339 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64.8 | -41.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N4 E5 R11 R12 | N4-A8 PolarHBondContact O-N 3.08Å; E5-A8 PolarHBondContact O-N 2.98Å; A8-R11 PolarHBondContact O-N 3.47Å; A8-R12 WeakPolarHBondContact O-CG 3.33Å; A8-R12 PolarHBondContact O-N 3.06Å; A8-R12 VanDerWaalsContact O-N 3.16Å |
| 9 | W | 87.9 | Confident | 81.8 | Confident | 156 Ų | 156 | 129.3 Ų | 129.3 | 59% | 0.591 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.8 | -49 | 175.9 | -179.4 | -101.9 | 0 | 0 | 0 | 112.1 | E5 F6 R11 R12 M13 | E5-W9 PolarHBondContact O-N 3.38Å; E5-W9 VanDerWaalsContact O-N 3.16Å; F6-W9 PolarHBondContact O-N 3.16Å; W9-R11 VanDerWaalsContact C-N 3.29Å; W9-R11 PolarHBondContact O-N 3.49Å; W9-R12 PolarHBondContact O-N 3.22Å; W9-M13 HydrophobicContact CH2-CE 3.58Å; W9-M13 HydrophobicContact CZ2-CE 3.28Å; W9-M13 HydrophobicContact CZ3-CE 4.36Å; W9-M13 PolarHBondContact O-N 3.41Å |
| 10 | Y | 88.9 | Confident | 82.5 | Confident | 182 Ų | 182 | 124.6 Ų | 124.6 | 71% | 0.714 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.9 | -38.8 | 179 | -120.3 | -85.6 | 0 | 0 | 0 | 112.5 | F6 M13 S14 | F6-Y10 PolarHBondContact O-N 3.36Å; Y10-M13 PolarHBondContact O-N 3.41Å; Y10-S14 WeakPolarHBondContact O-CB 3.48Å; Y10-S14 PolarHBondContact O-N 2.81Å; Y10-S14 PolarHBondContact O-OG 3.23Å |
| 11 | R | 89.9 | Confident | 83.1 | Confident | 195 Ų | 195 | 122.7 Ų | 122.7 | 74% | 0.736 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.9 | -36.3 | 178.1 | -171.9 | 177.7 | -178.9 | -158.4 | 0.3 | 112.7 | T7 A8 W9 S14 V15 | T7-R11 VanDerWaalsContact O-CB 3.31Å; T7-R11 WeakPolarHBondContact O-CB 3.4Å; T7-R11 PolarHBondContact O-N 2.88Å; A8-R11 PolarHBondContact O-N 3.47Å; W9-R11 VanDerWaalsContact C-N 3.29Å; W9-R11 PolarHBondContact O-N 3.49Å; R11-S14 PolarHBondContact O-OG 3.35Å; R11-S14 VanDerWaalsContact O-OG 3.04Å; R11-V15 WeakPolarHBondContact O-CG2 3.34Å; R11-V15 PolarHBondContact O-N 2.92Å |
| 12 | R | 91.4 | Very high | 85.2 | Confident | 177 Ų | 177 | 120.2 Ų | 120.2 | 67% | 0.668 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.1 | -45.6 | 175.3 | -69.5 | 172.9 | -170.8 | 169.4 | 3.3 | 110.5 | A8 W9 V15 V16 | A8-R12 WeakPolarHBondContact O-CG 3.33Å; A8-R12 PolarHBondContact O-N 3.06Å; A8-R12 VanDerWaalsContact O-N 3.16Å; W9-R12 PolarHBondContact O-N 3.22Å; R12-V15 PolarHBondContact O-N 3.03Å; R12-V16 WeakPolarHBondContact O-CG2 3.24Å; R12-V16 PolarHBondContact O-N 2.97Å |
| 13 | M | 93.4 | Very high | 86.9 | Confident | 69 Ų | 69 | 115.8 Ų | 115.8 | 34% | 0.34 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.4 | -41.1 | 178.4 | -73.2 | -61 | 175.6 | 0 | 0 | 112.2 | W9 Y10 V15 V16 Y17 | W9-M13 HydrophobicContact CH2-CE 3.58Å; W9-M13 HydrophobicContact CZ2-CE 3.28Å; W9-M13 HydrophobicContact CZ3-CE 4.36Å; W9-M13 PolarHBondContact O-N 3.41Å; Y10-M13 PolarHBondContact O-N 3.41Å; M13-V15 VanDerWaalsContact C-N 3.3Å; M13-V15 PolarHBondContact O-N 2.91Å; M13-V16 PolarHBondContact O-N 2.95Å; M13-V16 VanDerWaalsContact O-N 3.16Å; M13-Y17 HydrophobicContact CB-CD2 4.44Å; M13-Y17 VanDerWaalsContact O-CD2 3.22Å; M13-Y17 WeakPolarHBondContact O-CD2 3.37Å; M13-Y17 PolarHBondContact O-N 2.84Å |
| 14 | S | 92.5 | Very high | 88.6 | Confident | 66 Ų | 66 | 110.3 Ų | 110.3 | 46% | 0.462 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.4 | -36.3 | 179.7 | 68.4 | 0 | 0 | 0 | 0 | 113 | Y10 R11 G18 | Y10-S14 WeakPolarHBondContact O-CB 3.48Å; Y10-S14 PolarHBondContact O-N 2.81Å; Y10-S14 PolarHBondContact O-OG 3.23Å; R11-S14 PolarHBondContact O-OG 3.35Å; R11-S14 VanDerWaalsContact O-OG 3.04Å; S14-G18 PolarHBondContact O-N 3.45Å |
| 15 | V | 93.8 | Very high | 90.1 | Very high | 79 Ų | 79 | 107.8 Ų | 107.8 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.7 | -45 | 174.6 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | R11 R12 M13 G18 I19 | R11-V15 WeakPolarHBondContact O-CG2 3.34Å; R11-V15 PolarHBondContact O-N 2.92Å; R12-V15 PolarHBondContact O-N 3.03Å; M13-V15 VanDerWaalsContact C-N 3.3Å; M13-V15 PolarHBondContact O-N 2.91Å; V15-G18 PolarHBondContact O-N 2.73Å; V15-I19 HydrophobicContact CG1-CD1 3.63Å; V15-I19 HydrophobicContact CG1-CG1 4.39Å; V15-I19 WeakPolarHBondContact O-CB 3.02Å; V15-I19 VanDerWaalsContact O-CG1 3.28Å; V15-I19 WeakPolarHBondContact O-CG1 3.32Å; V15-I19 PolarHBondContact O-N 2.92Å |
| 16 | V | 96.1 | Very high | 91.4 | Very high | 96 Ų | 96 | 103.6 Ų | 103.6 | 58% | 0.582 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.3 | -47.3 | 178 | 175 | 0 | 0 | 0 | 0 | 110.8 | R12 M13 I19 G20 | R12-V16 WeakPolarHBondContact O-CG2 3.24Å; R12-V16 PolarHBondContact O-N 2.97Å; M13-V16 PolarHBondContact O-N 2.95Å; M13-V16 VanDerWaalsContact O-N 3.16Å; V16-I19 PolarHBondContact O-N 2.86Å; V16-G20 PolarHBondContact O-N 3.5Å |
| 17 | Y | 95.5 | Very high | 92.7 | Very high | 167 Ų | 167 | 100.5 Ų | 100.5 | 66% | 0.655 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.9 | -43.9 | 177.4 | -83.3 | -73.7 | 0 | 0 | 0 | 111.9 | M13 I19 G20 T21 | M13-Y17 HydrophobicContact CB-CD2 4.44Å; M13-Y17 VanDerWaalsContact O-CD2 3.22Å; M13-Y17 WeakPolarHBondContact O-CD2 3.37Å; M13-Y17 PolarHBondContact O-N 2.84Å; Y17-I19 PolarHBondContact O-N 3.19Å; Y17-G20 PolarHBondContact O-N 3.45Å; Y17-T21 WeakPolarHBondContact O-CB 3.3Å; Y17-T21 VanDerWaalsContact O-CG2 3.32Å; Y17-T21 WeakPolarHBondContact O-CG2 3.34Å; Y17-T21 PolarHBondContact O-N 2.81Å; Y17-T21 PolarHBondContact O-OG1 3.01Å |
| 18 | G | 96.3 | Very high | 93.6 | Very high | 30 Ų | 30 | 101.4 Ų | 101.4 | 31% | 0.309 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | S14 V15 T21 W22 | S14-G18 PolarHBondContact O-N 3.45Å; V15-G18 PolarHBondContact O-N 2.73Å; G18-T21 PolarHBondContact O-OG1 3.22Å; G18-T21 VanDerWaalsContact O-OG1 3.12Å; G18-W22 WeakPolarHBondContact O-CB 3.29Å; G18-W22 PolarHBondContact O-N 3.36Å; G18-W22 VanDerWaalsContact O-N 3.08Å |
| 19 | I | 96.3 | Very high | 94 | Very high | 105 Ų | 105 | 104.5 Ų | 104.5 | 54% | 0.538 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 177.2 | -66.4 | 168.6 | 0 | 0 | 0 | 110.4 | V15 V16 Y17 W22 S23 | V15-I19 HydrophobicContact CG1-CD1 3.63Å; V15-I19 HydrophobicContact CG1-CG1 4.39Å; V15-I19 WeakPolarHBondContact O-CB 3.02Å; V15-I19 VanDerWaalsContact O-CG1 3.28Å; V15-I19 WeakPolarHBondContact O-CG1 3.32Å; V15-I19 PolarHBondContact O-N 2.92Å; V16-I19 PolarHBondContact O-N 2.86Å; Y17-I19 PolarHBondContact O-N 3.19Å; I19-W22 PolarHBondContact O-N 3.09Å; I19-S23 VanDerWaalsContact O-CB 3.3Å; I19-S23 WeakPolarHBondContact O-CB 3.45Å; I19-S23 PolarHBondContact O-N 3.41Å; I19-S23 PolarHBondContact O-OG 2.88Å |
| 20 | G | 96.1 | Very high | 94.2 | Very high | 35 Ų | 35 | 105 Ų | 105 | 36% | 0.361 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.4 | -49.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V16 Y17 W22 S23 V24 | V16-G20 PolarHBondContact O-N 3.5Å; Y17-G20 PolarHBondContact O-N 3.45Å; G20-W22 PolarHBondContact O-N 2.81Å; G20-S23 PolarHBondContact O-N 2.9Å; G20-V24 WeakPolarHBondContact O-CG2 3.36Å; G20-V24 PolarHBondContact O-N 2.98Å |
| 21 | T | 96.5 | Very high | 94.2 | Very high | 86 Ų | 86 | 102.9 Ų | 102.9 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 178.1 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | Y17 G18 S23 V24 L25 | Y17-T21 WeakPolarHBondContact O-CB 3.3Å; Y17-T21 VanDerWaalsContact O-CG2 3.32Å; Y17-T21 WeakPolarHBondContact O-CG2 3.34Å; Y17-T21 PolarHBondContact O-N 2.81Å; Y17-T21 PolarHBondContact O-OG1 3.01Å; G18-T21 PolarHBondContact O-OG1 3.22Å; G18-T21 VanDerWaalsContact O-OG1 3.12Å; T21-S23 PolarHBondContact O-N 3.3Å; T21-V24 PolarHBondContact O-N 2.89Å; T21-L25 VanDerWaalsContact O-CB 3.27Å; T21-L25 WeakPolarHBondContact O-CB 3.29Å; T21-L25 PolarHBondContact O-N 2.61Å |
| 22 | W | 95.5 | Very high | 93.9 | Very high | 175 Ų | 175 | 96.2 Ų | 96.2 | 66% | 0.663 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.4 | -34.5 | 176.1 | -94.2 | 141.8 | 0 | 0 | 0 | 113.9 | G18 I19 G20 L25 G26 | G18-W22 WeakPolarHBondContact O-CB 3.29Å; G18-W22 PolarHBondContact O-N 3.36Å; G18-W22 VanDerWaalsContact O-N 3.08Å; I19-W22 PolarHBondContact O-N 3.09Å; G20-W22 PolarHBondContact O-N 2.81Å; W22-L25 HydrophobicContact CE3-CB 4Å; W22-L25 HydrophobicContact CE3-CD2 3.78Å; W22-L25 HydrophobicContact CE3-CG 4.06Å; W22-L25 HydrophobicContact CH2-CD2 3.92Å; W22-L25 HydrophobicContact CZ3-CB 4.19Å; W22-L25 HydrophobicContact CZ3-CD2 3.2Å; W22-L25 HydrophobicContact CZ3-CG 3.73Å; W22-G26 PolarHBondContact O-N 3.2Å |
| 23 | S | 96.1 | Very high | 93.5 | Very high | 72 Ų | 72 | 96.5 Ų | 96.5 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 177.2 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | I19 G20 T21 S27 | I19-S23 VanDerWaalsContact O-CB 3.3Å; I19-S23 WeakPolarHBondContact O-CB 3.45Å; I19-S23 PolarHBondContact O-N 3.41Å; I19-S23 PolarHBondContact O-OG 2.88Å; G20-S23 PolarHBondContact O-N 2.9Å; T21-S23 PolarHBondContact O-N 3.3Å; S23-S27 VanDerWaalsContact O-CB 3.29Å; S23-S27 WeakPolarHBondContact O-CB 3.41Å; S23-S27 PolarHBondContact O-N 2.72Å |
| 24 | V | 96.9 | Very high | 92.6 | Very high | 105 Ų | 105 | 95.8 Ų | 95.8 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.7 | -45.7 | 176.7 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | G20 T21 S27 L28 | G20-V24 WeakPolarHBondContact O-CG2 3.36Å; G20-V24 PolarHBondContact O-N 2.98Å; T21-V24 PolarHBondContact O-N 2.89Å; V24-S27 PolarHBondContact O-N 3.12Å; V24-L28 WeakPolarHBondContact O-CB 3.28Å; V24-L28 PolarHBondContact O-N 3.08Å |
| 25 | L | 96.2 | Very high | 91.6 | Very high | 73 Ų | 73 | 97 Ų | 97 | 38% | 0.382 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66 | -40.1 | 179.3 | -174.5 | 51.1 | 0 | 0 | 0 | 111.6 | T21 W22 L28 L29 | T21-L25 VanDerWaalsContact O-CB 3.27Å; T21-L25 WeakPolarHBondContact O-CB 3.29Å; T21-L25 PolarHBondContact O-N 2.61Å; W22-L25 HydrophobicContact CE3-CB 4Å; W22-L25 HydrophobicContact CE3-CD2 3.78Å; W22-L25 HydrophobicContact CE3-CG 4.06Å; W22-L25 HydrophobicContact CH2-CD2 3.92Å; W22-L25 HydrophobicContact CZ3-CB 4.19Å; W22-L25 HydrophobicContact CZ3-CD2 3.2Å; W22-L25 HydrophobicContact CZ3-CG 3.73Å; L25-L28 PolarHBondContact O-N 3.49Å; L25-L29 HydrophobicContact CD1-CD1 4.38Å; L25-L29 HydrophobicContact CD1-CG 4.37Å; L25-L29 HydrophobicContact CG-CD1 4.34Å; L25-L29 WeakPolarHBondContact O-CB 3.47Å; L25-L29 VanDerWaalsContact O-CG 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.3Å; L25-L29 PolarHBondContact O-N 3.26Å |
| 26 | G | 94.9 | Very high | 90.2 | Very high | 36 Ų | 36 | 95.7 Ų | 95.7 | 37% | 0.371 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -42.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | W22 L29 Y30 | W22-G26 PolarHBondContact O-N 3.2Å; G26-L29 PolarHBondContact O-N 2.87Å; G26-Y30 VanDerWaalsContact O-CB 3.24Å; G26-Y30 WeakPolarHBondContact O-CB 3.41Å; G26-Y30 PolarHBondContact O-N 2.95Å |
| 27 | S | 93.5 | Very high | 88.5 | Confident | 77 Ų | 77 | 98.8 Ų | 98.8 | 54% | 0.538 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 175.1 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | S23 V24 L29 Y30 Y31 | S23-S27 VanDerWaalsContact O-CB 3.29Å; S23-S27 WeakPolarHBondContact O-CB 3.41Å; S23-S27 PolarHBondContact O-N 2.72Å; V24-S27 PolarHBondContact O-N 3.12Å; S27-L29 PolarHBondContact O-N 3.47Å; S27-Y30 PolarHBondContact O-N 3.47Å; S27-Y31 VanDerWaalsContact O-CB 3.29Å; S27-Y31 WeakPolarHBondContact O-CB 3.28Å; S27-Y31 PolarHBondContact O-N 3.27Å |
| 28 | L | 94.6 | Very high | 86.6 | Confident | 108 Ų | 108 | 93.8 Ų | 93.8 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.8 | -46.5 | 178.2 | -177.5 | 63.7 | 0 | 0 | 0 | 111.5 | V24 L25 Y31 S32 | V24-L28 WeakPolarHBondContact O-CB 3.28Å; V24-L28 PolarHBondContact O-N 3.08Å; L25-L28 PolarHBondContact O-N 3.49Å; L28-Y31 PolarHBondContact O-N 3.2Å; L28-S32 WeakPolarHBondContact O-CB 3.27Å; L28-S32 PolarHBondContact O-N 2.93Å; L28-S32 PolarHBondContact O-OG 3.35Å |
| 29 | L | 91.7 | Very high | 84.7 | Confident | 105 Ų | 105 | 95.5 Ų | 95.5 | 55% | 0.55 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 178.2 | -71.1 | 174.3 | 0 | 0 | 0 | 112.3 | L25 G26 S27 S32 R33 | L25-L29 HydrophobicContact CD1-CD1 4.38Å; L25-L29 HydrophobicContact CD1-CG 4.37Å; L25-L29 HydrophobicContact CG-CD1 4.34Å; L25-L29 WeakPolarHBondContact O-CB 3.47Å; L25-L29 VanDerWaalsContact O-CG 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.3Å; L25-L29 PolarHBondContact O-N 3.26Å; G26-L29 PolarHBondContact O-N 2.87Å; S27-L29 PolarHBondContact O-N 3.47Å; L29-S32 VanDerWaalsContact CA-OG 3.32Å; L29-S32 WeakPolarHBondContact CA-OG 3.32Å; L29-S32 PolarHBondContact O-OG 3.46Å; L29-R33 WeakPolarHBondContact O-CB 3.47Å; L29-R33 PolarHBondContact O-N 3.5Å |
| 30 | Y | 91.9 | Very high | 82.6 | Confident | 168 Ų | 168 | 97.4 Ų | 97.4 | 66% | 0.659 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.6 | -49.4 | 175.2 | -178.8 | -100 | 0 | 0 | 0 | 111 | G26 S27 R33 T34 | G26-Y30 VanDerWaalsContact O-CB 3.24Å; G26-Y30 WeakPolarHBondContact O-CB 3.41Å; G26-Y30 PolarHBondContact O-N 2.95Å; S27-Y30 PolarHBondContact O-N 3.47Å; Y30-R33 PolarHBondContact O-N 3.49Å; Y30-T34 HydrophobicContact CD1-CG2 4.33Å; Y30-T34 HydrophobicContact CE1-CG2 3.92Å; Y30-T34 HydrophobicContact CE2-CG2 4.36Å; Y30-T34 WeakPolarHBondContact O-CG2 3.2Å; Y30-T34 PolarHBondContact O-N 2.94Å; Y30-T34 PolarHBondContact O-OG1 3.03Å |
| 31 | Y | 89.3 | Confident | 80.4 | Confident | 137 Ų | 137 | 104.5 Ų | 104.5 | 54% | 0.537 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | -179.9 | -173.7 | -101.7 | 0 | 0 | 0 | 112.4 | S27 L28 R33 T34 M35 | S27-Y31 VanDerWaalsContact O-CB 3.29Å; S27-Y31 WeakPolarHBondContact O-CB 3.28Å; S27-Y31 PolarHBondContact O-N 3.27Å; L28-Y31 PolarHBondContact O-N 3.2Å; Y31-R33 VanDerWaalsContact C-N 3.3Å; Y31-R33 PolarHBondContact O-N 2.86Å; Y31-T34 VanDerWaalsContact CA-OG1 3.3Å; Y31-T34 WeakPolarHBondContact CA-OG1 3.34Å; Y31-T34 PolarHBondContact O-N 2.87Å; Y31-T34 PolarHBondContact O-OG1 3.35Å; Y31-M35 HydrophobicContact CD1-CG 4.1Å; Y31-M35 HydrophobicContact CE1-CE 4.05Å; Y31-M35 HydrophobicContact CE1-CG 3.68Å; Y31-M35 HydrophobicContact CE2-CE 4.42Å; Y31-M35 HydrophobicContact CE2-CG 4.49Å; Y31-M35 WeakPolarHBondContact O-CB 3.48Å; Y31-M35 PolarHBondContact O-N 2.91Å; Y31-M35 WeakPolarHBondContact OH-CE 3.49Å |
| 32 | S | 83.8 | Confident | 78.1 | Confident | 55 Ų | 55 | 109 Ų | 109 | 39% | 0.385 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.8 | -35.2 | 176.5 | 44.4 | 0 | 0 | 0 | 0 | 112 | L28 L29 A36 | L28-S32 WeakPolarHBondContact O-CB 3.27Å; L28-S32 PolarHBondContact O-N 2.93Å; L28-S32 PolarHBondContact O-OG 3.35Å; L29-S32 VanDerWaalsContact CA-OG 3.32Å; L29-S32 WeakPolarHBondContact CA-OG 3.32Å; L29-S32 PolarHBondContact O-OG 3.46Å; S32-A36 WeakPolarHBondContact O-CB 3.2Å; S32-A36 PolarHBondContact O-N 2.91Å |
| 33 | R | 82.8 | Confident | 75.9 | Confident | 183 Ų | 183 | 108.5 Ų | 108.5 | 69% | 0.691 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.5 | -38.2 | 172.6 | -168.5 | 175.5 | -173 | 178.8 | 1.9 | 113.2 | L29 Y30 Y31 K37 | L29-R33 WeakPolarHBondContact O-CB 3.47Å; L29-R33 PolarHBondContact O-N 3.5Å; Y30-R33 PolarHBondContact O-N 3.49Å; Y31-R33 VanDerWaalsContact C-N 3.3Å; Y31-R33 PolarHBondContact O-N 2.86Å; R33-K37 PolarHBondContact O-N 3Å; R33-K37 VanDerWaalsContact O-N 3.16Å |
| 34 | T | 75.3 | Confident | 73.2 | Confident | 53 Ų | 53 | 108.8 Ų | 108.8 | 33% | 0.325 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70 | -36.4 | 175.2 | 51.3 | 0 | 0 | 0 | 0 | 112 | Y30 Y31 K37 S38 | Y30-T34 HydrophobicContact CD1-CG2 4.33Å; Y30-T34 HydrophobicContact CE1-CG2 3.92Å; Y30-T34 HydrophobicContact CE2-CG2 4.36Å; Y30-T34 WeakPolarHBondContact O-CG2 3.2Å; Y30-T34 PolarHBondContact O-N 2.94Å; Y30-T34 PolarHBondContact O-OG1 3.03Å; Y31-T34 VanDerWaalsContact CA-OG1 3.3Å; Y31-T34 WeakPolarHBondContact CA-OG1 3.34Å; Y31-T34 PolarHBondContact O-N 2.87Å; Y31-T34 PolarHBondContact O-OG1 3.35Å; T34-K37 PolarHBondContact O-N 3.12Å; T34-S38 PolarHBondContact O-N 3.04Å; T34-S38 VanDerWaalsContact O-N 3.1Å |
| 35 | M | 70.1 | Confident | 70.7 | Confident | 91 Ų | 91 | 109.5 Ų | 109.5 | 45% | 0.448 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.5 | -44.1 | 174.6 | -90.1 | -78.1 | 180 | 0 | 0 | 111.6 | Y31 K37 S38 S39 | Y31-M35 HydrophobicContact CD1-CG 4.1Å; Y31-M35 HydrophobicContact CE1-CE 4.05Å; Y31-M35 HydrophobicContact CE1-CG 3.68Å; Y31-M35 HydrophobicContact CE2-CE 4.42Å; Y31-M35 HydrophobicContact CE2-CG 4.49Å; Y31-M35 WeakPolarHBondContact O-CB 3.48Å; Y31-M35 PolarHBondContact O-N 2.91Å; Y31-M35 WeakPolarHBondContact OH-CE 3.49Å; M35-K37 VanDerWaalsContact C-N 3.28Å; M35-K37 PolarHBondContact O-N 2.78Å; M35-S38 WeakPolarHBondContact CA-OG 3.19Å; M35-S38 CarbonylContact O-C 3.6Å; M35-S38 WeakPolarHBondContact O-CA 3.47Å; M35-S38 PolarHBondContact O-N 3.41Å; M35-S38 PolarHBondContact O-OG 3.41Å; M35-S39 PolarHBondContact O-N 3.33Å; M35-S39 PolarHBondContact O-OG 2.91Å |
| 36 | A | 65.2 | Low | 68 | Low | 53 Ų | 53 | 110.6 Ų | 110.6 | 44% | 0.438 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -59.9 | -37.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S32 S38 S39 | S32-A36 WeakPolarHBondContact O-CB 3.2Å; S32-A36 PolarHBondContact O-N 2.91Å; A36-S38 VanDerWaalsContact C-N 3.31Å; A36-S38 PolarHBondContact O-N 3.25Å; A36-S39 WeakPolarHBondContact CA-OG 3.33Å; A36-S39 PolarHBondContact O-N 2.83Å; A36-S39 PolarHBondContact O-OG 3.32Å |
| 37 | K | 59.9 | Low | 65 | Low | 160 Ų | 160 | 114.8 Ų | 114.8 | 70% | 0.696 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.2 | -27.1 | 172.4 | -84.6 | -177.7 | 164.2 | -175.5 | 0 | 113.8 | R33 T34 M35 | R33-K37 PolarHBondContact O-N 3Å; R33-K37 VanDerWaalsContact O-N 3.16Å; T34-K37 PolarHBondContact O-N 3.12Å; M35-K37 VanDerWaalsContact C-N 3.28Å; M35-K37 PolarHBondContact O-N 2.78Å |
| 38 | S | 56.4 | Low | 62.3 | Low | 63 Ų | 63 | 119.5 Ų | 119.5 | 44% | 0.441 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -85.9 | -22 | 177.4 | 68.2 | 0 | 0 | 0 | 0 | 113.7 | T34 M35 A36 Q41 | T34-S38 PolarHBondContact O-N 3.04Å; T34-S38 VanDerWaalsContact O-N 3.1Å; M35-S38 WeakPolarHBondContact CA-OG 3.19Å; M35-S38 CarbonylContact O-C 3.6Å; M35-S38 WeakPolarHBondContact O-CA 3.47Å; M35-S38 PolarHBondContact O-N 3.41Å; M35-S38 PolarHBondContact O-OG 3.41Å; A36-S38 VanDerWaalsContact C-N 3.31Å; A36-S38 PolarHBondContact O-N 3.25Å; S38-Q41 PolarHBondContact O-N 3.16Å |
| 39 | S | 55.8 | Low | 59.5 | Low | 66 Ų | 66 | 121 Ų | 121 | 46% | 0.462 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -75.9 | -25.1 | 177.2 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | M35 A36 Q41 K42 | M35-S39 PolarHBondContact O-N 3.33Å; M35-S39 PolarHBondContact O-OG 2.91Å; A36-S39 WeakPolarHBondContact CA-OG 3.33Å; A36-S39 PolarHBondContact O-N 2.83Å; A36-S39 PolarHBondContact O-OG 3.32Å; S39-Q41 PolarHBondContact O-N 3.33Å; S39-Q41 VanDerWaalsContact O-N 3.08Å; S39-K42 PolarHBondContact O-N 2.83Å |
| 40 | D | 52.3 | Low | 57.6 | Low | 145 Ų | 145 | 121.2 Ų | 121.2 | 78% | 0.775 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -9.4 | 170.6 | -101.7 | -78.8 | 0 | 0 | 0 | 113.5 | ||
| 41 | Q | 50.6 | Low | 54.8 | Low | 183 Ų | 183 | 119 Ų | 119 | 86% | 0.855 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 6.3 | 174.2 | -98.3 | -177.3 | 10.2 | 0 | 0 | 114.2 | S38 S39 | S38-Q41 PolarHBondContact O-N 3.16Å; S39-Q41 PolarHBondContact O-N 3.33Å; S39-Q41 VanDerWaalsContact O-N 3.08Å |
| 42 | K | 47.8 | Very low | 52.8 | Low | 181 Ų | 181 | 121 Ų | 121 | 79% | 0.787 | 69% | 0.693 | S | S | * | * | trans | -130.6 | 34.9 | -172.1 | -137.4 | -168.4 | -177.4 | -171.9 | 0 | 114.5 | S39 | S39-K42 PolarHBondContact O-N 2.83Š| ||
| 43 | D | 48.2 | Very low | 51 | Low | 164 Ų | 164 | 126.3 Ų | 126.3 | 88% | 0.877 | 72% | 0.716 | S | S | * | * | trans | -109.8 | 90 | 163.6 | -72.5 | -35.2 | 0 | 0 | 0 | 109.7 | ||||
| 44 | G | 40.5 | Very low | 49.4 | Very low | 79 Ų | 79 | 123 Ų | 123 | 81% | 0.814 | 72% | 0.721 | S | S | * | * | trans | -154.9 | 64.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 45 | S | 43.3 | Very low | 47.9 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | trans | -77.3 | 134.6 | 176.6 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 46 | A | 40 | Very low | 47 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | 46.2 | 107.6 | 150.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 47 | S | 32.4 | Very low | 46.2 | Very low | 124 Ų | 124 | 137 Ų | 137 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -152.7 | 148.1 | 144.2 | -162.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 48 | E | 35.9 | Very low | 46 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -76.7 | 144.7 | -161.4 | -63.5 | 164.9 | 126.9 | 0 | 0 | 114.3 | ||||
| 49 | V | 36.6 | Very low | 45.9 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | 76.3 | 150.4 | 138.6 | 170.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 50 | P | 51 | Low | 46.1 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 71% | 0.714 | 81% | 0.81 | S | S | * | * | trans | -97.4 | 146.4 | -132.3 | 38.1 | -34.9 | 0 | 0 | 0 | 112.8 | ||||
| 51 | S | 34.3 | Very low | 46.3 | Very low | 120 Ų | 120 | 146 Ų | 146 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -142.8 | 109.2 | 163.1 | -72.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 52 | E | 45.9 | Very low | 47 | Very low | 181 Ų | 181 | 141.6 Ų | 141.6 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -52.2 | 150.5 | 158.7 | -62.9 | -176.9 | 116.8 | 0 | 0 | 109.6 | ||||
| 53 | L | 47.1 | Very low | 47.5 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | 74.7 | 86.7 | 166 | -52.3 | 173.3 | 0 | 0 | 0 | 117 | ||||
| 54 | S | 48.4 | Very low | 48.3 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | -174.4 | 128.4 | 120.9 | 36.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 55 | E | 43.6 | Very low | 49.2 | Very low | 187 Ų | 187 | 140.3 Ų | 140.3 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | 65.7 | 86 | 155.1 | -66.1 | -177.6 | 148.8 | 0 | 0 | 118.8 | P57 | E55-P57 WeakPolarHBondContact O-CD 3.44Š| ||
| 56 | R | 52.9 | Low | 49.9 | Very low | 203 Ų | 203 | 140.6 Ų | 140.6 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | -53.1 | 117 | 159.2 | -172.7 | -177.9 | -154.6 | 162.8 | 5.6 | 110.7 | K58 Y61 | R56-K58 PolarHBondContact O-N 3.38Å; R56-Y61 PolarHBondContact NE-OH 3.33Å | ||
| 57 | P | 48.2 | Very low | 51.1 | Low | 101 Ų | 101 | 141.2 Ų | 141.2 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | trans | -69.1 | 118.9 | 173.5 | 24.2 | -28.3 | 0 | 0 | 0 | 109.8 | E55 G59 | E55-P57 WeakPolarHBondContact O-CD 3.44Å; P57-G59 VanDerWaalsContact C-N 3.25Å; P57-G59 PolarHBondContact O-N 2.97Å | ||
| 58 | K | 54.6 | Low | 52.4 | Low | 217 Ų | 217 | 144.2 Ų | 144.2 | 94% | 0.943 | 76% | 0.758 | S | S | * | * | trans | -74.4 | 73.8 | 174.5 | -171 | 177.5 | -176.2 | 178.6 | 0 | 109.2 | R56 | R56-K58 PolarHBondContact O-N 3.38Š| ||
| 59 | G | 54.2 | Low | 53.8 | Low | 58 Ų | 58 | 142.5 Ų | 142.5 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -165.8 | 101.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P57 | P57-G59 VanDerWaalsContact C-N 3.25Å; P57-G59 PolarHBondContact O-N 2.97Å |
| 60 | F | 59.5 | Low | 55 | Low | 192 Ų | 192 | 143.8 Ų | 143.8 | 84% | 0.842 | 74% | 0.744 | S | S | * | * | trans | 63 | 74.1 | 161.3 | -132.2 | -101.7 | 0 | 0 | 0 | 117.3 | V62 | F60-V62 HydrophobicContact CD1-CG2 3.46Å; F60-V62 VanDerWaalsContact CD1-CG2 3.46Å; F60-V62 HydrophobicContact CE1-CG2 3.26Å; F60-V62 HydrophobicContact CZ-CG2 4.31Å | ||
| 61 | Y | 56.5 | Low | 55.3 | Low | 155 Ų | 155 | 145.6 Ų | 145.6 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | trans | -81.6 | 111.9 | 159 | -68.7 | -87.6 | 0 | 0 | 0 | 108.8 | R56 | R56-Y61 PolarHBondContact NE-OH 3.33Š| ||
| 62 | V | 65.6 | Low | 56.5 | Low | 92 Ų | 92 | 146.4 Ų | 146.4 | 56% | 0.558 | 74% | 0.737 | S | S | * | * | trans | -94.7 | 99.5 | 166.7 | 176 | 0 | 0 | 0 | 0 | 107.7 | F60 T64 | F60-V62 HydrophobicContact CD1-CG2 3.46Å; F60-V62 VanDerWaalsContact CD1-CG2 3.46Å; F60-V62 HydrophobicContact CE1-CG2 3.26Å; F60-V62 HydrophobicContact CZ-CG2 4.31Å; V62-T64 VanDerWaalsContact C-N 3.33Å; V62-T64 PolarHBondContact O-N 3.46Å | ||
| 63 | E | 58.9 | Low | 57.3 | Low | 171 Ų | 171 | 142.1 Ų | 142.1 | 80% | 0.799 | 72% | 0.722 | S | S | * | * | trans | -73.9 | 92.4 | 166.1 | -68.4 | -178.7 | 177.6 | 0 | 0 | 108 | V65 | E63-V65 VanDerWaalsContact C-N 3.26Å; E63-V65 PolarHBondContact O-N 3.2Å | ||
| 64 | T | 65.5 | Low | 58.2 | Low | 114 Ų | 114 | 136.6 Ų | 136.6 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | trans | -76.7 | 85.3 | 172.7 | -23.2 | 0 | 0 | 0 | 0 | 107.7 | V62 V66 | V62-T64 VanDerWaalsContact C-N 3.33Å; V62-T64 PolarHBondContact O-N 3.46Å; T64-V66 PolarHBondContact O-N 3.16Å | ||
| 65 | V | 59.5 | Low | 59 | Low | 111 Ų | 111 | 135.5 Ų | 135.5 | 67% | 0.673 | 68% | 0.681 | S | S | * | * | trans | -68.3 | 97.5 | 172.8 | -176.1 | 0 | 0 | 0 | 0 | 107.5 | E63 T67 | E63-V65 VanDerWaalsContact C-N 3.26Å; E63-V65 PolarHBondContact O-N 3.2Å; V65-T67 VanDerWaalsContact C-N 3.3Å; V65-T67 PolarHBondContact O-N 2.91Å | ||
| 66 | V | 58.2 | Low | 60.3 | Low | 126 Ų | 126 | 130.9 Ų | 130.9 | 76% | 0.764 | 67% | 0.666 | S | S | * | * | trans | -76.7 | 87.1 | 172.7 | -179 | 0 | 0 | 0 | 0 | 107.3 | T64 Y68 | T64-V66 PolarHBondContact O-N 3.16Å; V66-Y68 PolarHBondContact O-N 3.48Å; V66-Y68 VanDerWaalsContact O-N 3.09Å | ||
| 67 | T | 64.4 | Low | 61.4 | Low | 108 Ų | 108 | 126.6 Ų | 126.6 | 66% | 0.663 | 66% | 0.655 | S | S | * | * | trans | -73.5 | 98.7 | 171 | -50.6 | 0 | 0 | 0 | 0 | 108.6 | V65 K69 | V65-T67 VanDerWaalsContact C-N 3.3Å; V65-T67 PolarHBondContact O-N 2.91Å; T67-K69 PolarHBondContact O-N 3.34Å | ||
| 68 | Y | 59.8 | Low | 62.8 | Low | 188 Ų | 188 | 127.4 Ų | 127.4 | 74% | 0.737 | 65% | 0.648 | S | S | * | * | trans | -69.9 | 109.3 | 170.8 | -170 | -101.2 | 0 | 0 | 0 | 108.8 | V66 E70 | V66-Y68 PolarHBondContact O-N 3.48Å; V66-Y68 VanDerWaalsContact O-N 3.09Å; Y68-E70 HydrophobicContact CD1-CG 3.84Å; Y68-E70 HydrophobicContact CE1-CG 3.93Å | ||
| 69 | K | 65.2 | Low | 64.1 | Low | 140 Ų | 140 | 122.5 Ų | 122.5 | 61% | 0.609 | 63% | 0.631 | S | S | * | * | trans | -85.8 | 105.4 | 171.3 | -86.9 | -80.2 | -170.5 | 177.2 | 0 | 107.5 | T67 D71 F72 | T67-K69 PolarHBondContact O-N 3.34Å; K69-D71 PolarHBondContact O-N 3.38Å; K69-F72 HydrophobicContact CB-CB 4.23Å; K69-F72 HydrophobicContact CB-CD2 4.15Å; K69-F72 PolarHBondContact O-N 2.93Å | ||
| 70 | E | 61.3 | Low | 65.3 | Low | 166 Ų | 166 | 124.9 Ų | 124.9 | 78% | 0.776 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -27 | 179.4 | -65.6 | -178 | 168.4 | 0 | 0 | 112.8 | Y68 | Y68-E70 HydrophobicContact CD1-CG 3.84Å; Y68-E70 HydrophobicContact CE1-CG 3.93Å |
| 71 | D | 58.4 | Low | 66.3 | Low | 148 Ų | 148 | 120.8 Ų | 120.8 | 79% | 0.791 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | 16.9 | -177.3 | -52 | -50.9 | 0 | 0 | 0 | 114.6 | K69 V73 | K69-D71 PolarHBondContact O-N 3.38Å; D71-V73 PolarHBondContact O-N 2.81Å |
| 72 | F | 58.7 | Low | 67.4 | Low | 138 Ų | 138 | 121.8 Ų | 121.8 | 61% | 0.605 | 62% | 0.62 | S | S | * | * | trans | -73.7 | 95 | 180 | -144.8 | -92.8 | 0 | 0 | 0 | 109 | K69 P74 | K69-F72 HydrophobicContact CB-CB 4.23Å; K69-F72 HydrophobicContact CB-CD2 4.15Å; K69-F72 PolarHBondContact O-N 2.93Å; F72-P74 WeakPolarHBondContact O-CA 3.36Å; F72-P74 WeakPolarHBondContact O-CD 3.38Å | ||
| 73 | V | 62.1 | Low | 68.2 | Low | 90 Ų | 90 | 126.3 Ų | 126.3 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | trans | -50.3 | 107.4 | 168.5 | 177 | 0 | 0 | 0 | 0 | 106.2 | D71 N75 | D71-V73 PolarHBondContact O-N 2.81Å; V73-N75 PolarHBondContact O-N 3.35Å; V73-N75 VanDerWaalsContact O-N 3.12Å | ||
| 74 | P | 67.1 | Low | 69.1 | Low | 49 Ų | 49 | 124.9 Ų | 124.9 | 32% | 0.318 | 62% | 0.619 | S | S | . | * | trans | -73.2 | 126.2 | -161 | 32.6 | -37 | 0 | 0 | 0 | 104.8 | F72 T76 E77 | F72-P74 WeakPolarHBondContact O-CA 3.36Å; F72-P74 WeakPolarHBondContact O-CD 3.38Å; P74-T76 WeakPolarHBondContact CB-OG1 3.22Å; P74-T76 WeakPolarHBondContact CG-OG1 3.17Å; P74-T76 CarbonylContact O-C 3.57Å; P74-T76 PolarHBondContact O-N 3.29Å; P74-E77 HydrophobicContact CG-CB 4.41Å; P74-E77 HydrophobicContact CG-CG 3.87Å; P74-E77 PolarHBondContact O-N 3.02Å | ||
| 75 | N | 65.1 | Low | 69.6 | Low | 91 Ų | 91 | 123.4 Ų | 123.4 | 49% | 0.487 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -52.1 | -19.2 | 178 | -74.2 | -45 | 0 | 0 | 0 | 111.4 | V73 K78 I79 | V73-N75 PolarHBondContact O-N 3.35Å; V73-N75 VanDerWaalsContact O-N 3.12Å; N75-K78 PolarHBondContact O-N 3.42Å; N75-I79 WeakPolarHBondContact O-CD1 3.44Å; N75-I79 WeakPolarHBondContact O-CG1 3.31Å; N75-I79 PolarHBondContact O-N 3.04Å |
| 76 | T | 70.4 | Confident | 70.6 | Confident | 91 Ų | 91 | 128.9 Ų | 128.9 | 56% | 0.558 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -56.7 | -38.9 | 168.5 | 56.8 | 0 | 0 | 0 | 0 | 114 | P74 I79 L80 | P74-T76 WeakPolarHBondContact CB-OG1 3.22Å; P74-T76 WeakPolarHBondContact CG-OG1 3.17Å; P74-T76 CarbonylContact O-C 3.57Å; P74-T76 PolarHBondContact O-N 3.29Å; T76-I79 PolarHBondContact O-N 3.16Å; T76-L80 WeakPolarHBondContact O-CB 3.46Å; T76-L80 PolarHBondContact O-N 3.23Å |
| 77 | E | 75.4 | Confident | 71.5 | Confident | 112 Ų | 112 | 127.4 Ų | 127.4 | 52% | 0.523 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.5 | -40.6 | 175.8 | -81.7 | 177.9 | -163.5 | 0 | 0 | 111.8 | P74 L80 N81 | P74-E77 HydrophobicContact CG-CB 4.41Å; P74-E77 HydrophobicContact CG-CG 3.87Å; P74-E77 PolarHBondContact O-N 3.02Å; E77-L80 PolarHBondContact O-N 3.48Å; E77-N81 WeakPolarHBondContact O-CB 3.5Å; E77-N81 PolarHBondContact O-N 3.01Å |
| 78 | K | 78.4 | Confident | 71.7 | Confident | 119 Ų | 119 | 124.7 Ų | 124.7 | 52% | 0.517 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.6 | -47.7 | 173.9 | -70.9 | -180 | 178 | 174.3 | 0 | 110.5 | N75 L80 N81 Y82 | N75-K78 PolarHBondContact O-N 3.42Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 3.03Å; K78-N81 PolarHBondContact O-N 3.23Å; K78-Y82 WeakPolarHBondContact O-CD2 3.3Å; K78-Y82 PolarHBondContact O-N 3.46Å |
| 79 | I | 81.7 | Confident | 72.1 | Confident | 113 Ų | 113 | 118.4 Ų | 118.4 | 58% | 0.579 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.5 | -42.6 | 178.4 | -66.2 | 160.1 | 0 | 0 | 0 | 110.8 | N75 T76 Y82 W83 | N75-I79 WeakPolarHBondContact O-CD1 3.44Å; N75-I79 WeakPolarHBondContact O-CG1 3.31Å; N75-I79 PolarHBondContact O-N 3.04Å; T76-I79 PolarHBondContact O-N 3.16Å; I79-Y82 PolarHBondContact O-N 3.37Å; I79-W83 WeakPolarHBondContact O-CB 3.21Å; I79-W83 PolarHBondContact O-N 2.9Å |
| 80 | L | 80.1 | Confident | 72 | Confident | 108 Ų | 108 | 118 Ų | 118 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.5 | -41.8 | 179 | -170.2 | 150.1 | 0 | 0 | 0 | 111.4 | T76 E77 K78 W83 K84 | T76-L80 WeakPolarHBondContact O-CB 3.46Å; T76-L80 PolarHBondContact O-N 3.23Å; E77-L80 PolarHBondContact O-N 3.48Å; K78-L80 VanDerWaalsContact C-N 3.33Å; K78-L80 PolarHBondContact O-N 3.03Å; L80-W83 PolarHBondContact O-N 3.48Å; L80-K84 VanDerWaalsContact O-CB 3.3Å; L80-K84 WeakPolarHBondContact O-CB 3.49Å; L80-K84 PolarHBondContact O-N 3.46Å |
| 81 | N | 79.2 | Confident | 71.7 | Confident | 106 Ų | 106 | 113.6 Ų | 113.6 | 57% | 0.567 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.1 | -42 | 174.6 | -87.7 | -21.6 | 0 | 0 | 0 | 112.8 | E77 K78 W83 K84 S85 | E77-N81 WeakPolarHBondContact O-CB 3.5Å; E77-N81 PolarHBondContact O-N 3.01Å; K78-N81 PolarHBondContact O-N 3.23Å; N81-W83 VanDerWaalsContact C-N 3.32Å; N81-W83 PolarHBondContact O-N 3.38Å; N81-K84 PolarHBondContact O-N 3.4Å; N81-S85 WeakPolarHBondContact O-CB 3.35Å; N81-S85 PolarHBondContact O-N 3.09Å; N81-S85 PolarHBondContact O-OG 3.46Å |
| 82 | Y | 80.1 | Confident | 71.4 | Confident | 176 Ų | 176 | 113.2 Ų | 113.2 | 69% | 0.69 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.4 | -39.9 | 174.6 | -88.1 | -68.3 | 0 | 0 | 0 | 112.3 | K78 I79 S85 W86 | K78-Y82 WeakPolarHBondContact O-CD2 3.3Å; K78-Y82 PolarHBondContact O-N 3.46Å; I79-Y82 PolarHBondContact O-N 3.37Å; Y82-S85 PolarHBondContact O-OG 2.83Å; Y82-W86 WeakPolarHBondContact O-CB 3.49Å; Y82-W86 PolarHBondContact O-N 2.95Å |
| 83 | W | 82.3 | Confident | 70.7 | Confident | 187 Ų | 187 | 115.2 Ų | 115.2 | 71% | 0.708 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.1 | -41.9 | 178.3 | -162.3 | 45.1 | 0 | 0 | 0 | 111.1 | I79 L80 N81 S85 W86 T87 | I79-W83 WeakPolarHBondContact O-CB 3.21Å; I79-W83 PolarHBondContact O-N 2.9Å; L80-W83 PolarHBondContact O-N 3.48Å; N81-W83 VanDerWaalsContact C-N 3.32Å; N81-W83 PolarHBondContact O-N 3.38Å; W83-S85 PolarHBondContact O-N 3.04Å; W83-W86 WeakPolarHBondContact O-CB 3.29Å; W83-W86 PolarHBondContact O-N 2.89Å; W83-T87 WeakPolarHBondContact O-CG2 3.47Å; W83-T87 PolarHBondContact O-N 2.75Å; W83-T87 PolarHBondContact O-OG1 3.28Å; W83-T87 VanDerWaalsContact O-OG1 3.09Å |
| 84 | K | 78.2 | Confident | 70.2 | Confident | 142 Ų | 142 | 120.4 Ų | 120.4 | 62% | 0.617 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -62.4 | -41.1 | 175.7 | -168.8 | 177.4 | -178.5 | -175.7 | 0 | 112.5 | L80 N81 W86 T87 G88 | L80-K84 VanDerWaalsContact O-CB 3.3Å; L80-K84 WeakPolarHBondContact O-CB 3.49Å; L80-K84 PolarHBondContact O-N 3.46Å; N81-K84 PolarHBondContact O-N 3.4Å; K84-W86 VanDerWaalsContact C-N 3.33Å; K84-T87 PolarHBondContact O-N 3.37Å; K84-T87 PolarHBondContact O-OG1 2.99Å; K84-G88 WeakPolarHBondContact O-CA 3.24Å; K84-G88 PolarHBondContact O-N 3.28Å |
| 85 | S | 76.4 | Confident | 70.4 | Confident | 83 Ų | 83 | 124 Ų | 124 | 58% | 0.58 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -71.1 | -28.1 | 176.5 | 66.4 | 0 | 0 | 0 | 0 | 113 | N81 Y82 W83 | N81-S85 WeakPolarHBondContact O-CB 3.35Å; N81-S85 PolarHBondContact O-N 3.09Å; N81-S85 PolarHBondContact O-OG 3.46Å; Y82-S85 PolarHBondContact O-OG 2.83Å; W83-S85 PolarHBondContact O-N 3.04Å |
| 86 | W | 79.6 | Confident | 70.6 | Confident | 225 Ų | 225 | 125.7 Ų | 125.7 | 85% | 0.852 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -72.6 | -39.9 | 173.2 | -171.5 | -66.2 | 0 | 0 | 0 | 112.2 | Y82 W83 K84 | Y82-W86 WeakPolarHBondContact O-CB 3.49Å; Y82-W86 PolarHBondContact O-N 2.95Å; W83-W86 WeakPolarHBondContact O-CB 3.29Å; W83-W86 PolarHBondContact O-N 2.89Å; K84-W86 VanDerWaalsContact C-N 3.33Å |
| 87 | T | 77.9 | Confident | 70.6 | Confident | 96 Ų | 96 | 127.7 Ų | 127.7 | 59% | 0.589 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -87.5 | -19 | -178.9 | 59 | 0 | 0 | 0 | 0 | 113.9 | W83 K84 G89 | W83-T87 WeakPolarHBondContact O-CG2 3.47Å; W83-T87 PolarHBondContact O-N 2.75Å; W83-T87 PolarHBondContact O-OG1 3.28Å; W83-T87 VanDerWaalsContact O-OG1 3.09Å; K84-T87 PolarHBondContact O-N 3.37Å; K84-T87 PolarHBondContact O-OG1 2.99Å; T87-G89 PolarHBondContact O-N 3.23Å |
| 88 | G | 68 | Low | 70.4 | Confident | 50 Ų | 50 | 128.6 Ų | 128.6 | 52% | 0.515 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -79.2 | 95.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | K84 | K84-G88 WeakPolarHBondContact O-CA 3.24Å; K84-G88 PolarHBondContact O-N 3.28Å |
| 89 | G | 68.2 | Low | 69.9 | Low | 56 Ų | 56 | 129.2 Ų | 129.2 | 58% | 0.577 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 167.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T87 G91 | T87-G89 PolarHBondContact O-N 3.23Å; G89-G91 PolarHBondContact O-N 3.07Å; G89-G91 VanDerWaalsContact O-N 3.07Å |
| 90 | P | 62.4 | Low | 69.1 | Low | 133 Ų | 133 | 130.3 Ų | 130.3 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 118.8 | -178.1 | 20.3 | -29.1 | 0 | 0 | 0 | 109.8 | T92 | P90-T92 PolarHBondContact O-N 3.2Å; P90-T92 VanDerWaalsContact O-N 3.16Å |
| 91 | G | 55.2 | Low | 68.3 | Low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 118.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | G89 E93 | G89-G91 PolarHBondContact O-N 3.07Å; G89-G91 VanDerWaalsContact O-N 3.07Å; G91-E93 PolarHBondContact O-N 3.16Å |
| 92 | T | 52.1 | Low | 67.5 | Low | 141 Ų | 141 | 133.8 Ų | 133.8 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | trans | -66.5 | 107.7 | 159.9 | -51.8 | 0 | 0 | 0 | 0 | 107 | P90 | P90-T92 PolarHBondContact O-N 3.2Å; P90-T92 VanDerWaalsContact O-N 3.16Å | ||
| 93 | E | 44.4 | Very low | 66.4 | Low | 179 Ų | 179 | 130.3 Ų | 130.3 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | -122.5 | 150.5 | 157.3 | -68.5 | -175.6 | 166.1 | 0 | 0 | 107.3 | G91 | G91-E93 PolarHBondContact O-N 3.16Š| ||
| 94 | P | 52.2 | Low | 65 | Low | 200 Ų | 200 | 125.2 Ų | 125.2 | 100% | 1.299 | 76% | 0.758 | S | S | * | * | cis | -102.8 | 0 | -17.6 | 37.3 | -29.5 | 0 | 0 | 0 | 114 |
Retrieved 94 of 94 residues in 24 ms
(Link to these results)