| 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 | 47.9 | Very low | 58.7 | Low | 206 Ų | 206 | 99.9 Ų | 99.9 | 100% | 1.015 | 53% | 0.529 | S | S | * | . | 0 | 34.8 | 0 | -59.8 | -169.6 | 173.6 | 0 | 0 | 112.3 | T4 | M1-T4 PolarHBondContact O-OG1 2.76Š| |||
| 2 | H | 51.2 | Low | 59.1 | Low | 125 Ų | 125 | 99.1 Ų | 99.1 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -88 | -28.2 | -169.1 | -61.3 | -69.9 | 0 | 0 | 0 | 114.6 | F5 | H2-F5 PolarHBondContact O-N 3.43Å |
| 3 | L | 52 | Low | 59.5 | Low | 140 Ų | 140 | 95.5 Ų | 95.5 | 73% | 0.733 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.7 | -38.1 | 176.8 | -108.4 | 156 | 0 | 0 | 0 | 111.5 | F5 I6 V7 | L3-F5 VanDerWaalsContact C-N 3.32Å; L3-F5 PolarHBondContact O-N 2.9Å; L3-I6 PolarHBondContact O-N 3.36Å; L3-V7 HydrophobicContact CD2-CG2 4.18Å; L3-V7 WeakPolarHBondContact O-CB 3.33Å; L3-V7 WeakPolarHBondContact O-CG2 3.17Å; L3-V7 PolarHBondContact O-N 3.01Å |
| 4 | T | 56.1 | Low | 59.6 | Low | 89 Ų | 89 | 96.4 Ų | 96.4 | 55% | 0.546 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 177.2 | 19.6 | 0 | 0 | 0 | 0 | 112.1 | M1 T8 | M1-T4 PolarHBondContact O-OG1 2.76Å; T4-T8 WeakPolarHBondContact O-CB 3.32Å; T4-T8 PolarHBondContact O-N 3.41Å; T4-T8 PolarHBondContact O-OG1 3.49Å |
| 5 | F | 61.2 | Low | 59.6 | Low | 84 Ų | 84 | 96.9 Ų | 96.9 | 37% | 0.368 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -51.1 | 177.3 | -175.9 | -99.5 | 0 | 0 | 0 | 111.7 | H2 L3 V7 T8 F9 L46 L49 | H2-F5 PolarHBondContact O-N 3.43Å; L3-F5 VanDerWaalsContact C-N 3.32Å; L3-F5 PolarHBondContact O-N 2.9Å; F5-V7 VanDerWaalsContact C-N 3.3Å; F5-V7 PolarHBondContact O-N 3.22Å; F5-T8 PolarHBondContact O-N 3.23Å; F5-F9 WeakPolarHBondContact O-CB 3.05Å; F5-F9 PolarHBondContact O-N 3.38Å; F5-L46 HydrophobicContact CE1-CD2 4.07Å; F5-L46 HydrophobicContact CE2-CD2 4.48Å; F5-L46 HydrophobicContact CZ-CD2 3.72Å; F5-L49 HydrophobicContact CE2-CD1 4.14Å |
| 6 | I | 67.1 | Low | 59.3 | Low | 106 Ų | 106 | 97.9 Ų | 97.9 | 54% | 0.544 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | -179.9 | -61.1 | 173.5 | 0 | 0 | 0 | 110.9 | L3 F9 T10 | L3-I6 PolarHBondContact O-N 3.36Å; I6-F9 PolarHBondContact O-N 3.03Å; I6-T10 WeakPolarHBondContact O-CB 3.34Å; I6-T10 PolarHBondContact O-N 2.97Å; I6-T10 PolarHBondContact O-OG1 3.48Å |
| 7 | V | 60.7 | Low | 59.1 | Low | 75 Ų | 75 | 95.6 Ų | 95.6 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.1 | -50.9 | 179.1 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L3 F5 F9 T10 V11 | L3-V7 HydrophobicContact CD2-CG2 4.18Å; L3-V7 WeakPolarHBondContact O-CB 3.33Å; L3-V7 WeakPolarHBondContact O-CG2 3.17Å; L3-V7 PolarHBondContact O-N 3.01Å; F5-V7 VanDerWaalsContact C-N 3.3Å; F5-V7 PolarHBondContact O-N 3.22Å; V7-F9 PolarHBondContact O-N 3.45Å; V7-T10 PolarHBondContact O-N 3.36Å; V7-V11 HydrophobicContact CG1-CG2 4.37Å; V7-V11 WeakPolarHBondContact O-CB 3.42Å; V7-V11 WeakPolarHBondContact O-CG2 3.49Å; V7-V11 PolarHBondContact O-N 2.95Å |
| 8 | T | 61.8 | Low | 58.8 | Low | 81 Ų | 81 | 96.8 Ų | 96.8 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.1 | -37.4 | 176.2 | -59 | 0 | 0 | 0 | 0 | 110.9 | T4 F5 L12 | T4-T8 WeakPolarHBondContact O-CB 3.32Å; T4-T8 PolarHBondContact O-N 3.41Å; T4-T8 PolarHBondContact O-OG1 3.49Å; F5-T8 PolarHBondContact O-N 3.23Å; T8-L12 HydrophobicContact CG2-CD1 4.21Å; T8-L12 WeakPolarHBondContact O-CB 3.21Å; T8-L12 PolarHBondContact O-N 3.43Å |
| 9 | F | 60 | Low | 58.4 | Low | 54 Ų | 54 | 96.6 Ų | 96.6 | 24% | 0.237 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -69.5 | -46.1 | 178 | -168.6 | -105.2 | 0 | 0 | 0 | 112.7 | F5 I6 V7 V11 L12 I13 F38 I42 | F5-F9 WeakPolarHBondContact O-CB 3.05Å; F5-F9 PolarHBondContact O-N 3.38Å; I6-F9 PolarHBondContact O-N 3.03Å; V7-F9 PolarHBondContact O-N 3.45Å; F9-V11 VanDerWaalsContact C-N 3.29Å; F9-V11 PolarHBondContact O-N 3.46Å; F9-L12 WeakPolarHBondContact O-CB 3.2Å; F9-L12 PolarHBondContact O-N 3.39Å; F9-I13 HydrophobicContact CD1-CD1 3.92Å; F9-I13 HydrophobicContact CE1-CD1 3.76Å; F9-I13 HydrophobicContact CE1-CG1 4.36Å; F9-I13 HydrophobicContact CZ-CD1 4.5Å; F9-I13 VanDerWaalsContact O-CG1 3.31Å; F9-I13 WeakPolarHBondContact O-CG1 3.44Å; F9-I13 PolarHBondContact O-N 3.17Å; F9-F38 HydrophobicContact CD1-CZ 4.48Å; F9-F38 AromaticContact CE1-CE1 3.82Å; F9-F38 HydrophobicContact CE1-CE1 3.82Å; F9-F38 HydrophobicContact CE1-CE2 4.17Å; F9-F38 AromaticContact CE1-CZ 3.28Å; F9-F38 HydrophobicContact CE1-CZ 3.28Å; F9-F38 HydrophobicContact CE2-CE2 4.34Å; F9-F38 HydrophobicContact CE2-CZ 4.21Å; F9-F38 AromaticContact CZ-CE1 3.73Å; F9-F38 HydrophobicContact CZ-CE1 3.73Å; F9-F38 AromaticContact CZ-CE2 3.56Å; F9-F38 HydrophobicContact CZ-CE2 3.56Å; F9-F38 AromaticContact CZ-CZ 3.07Å; F9-F38 HydrophobicContact CZ-CZ 3.07Å; F9-I42 HydrophobicContact CE1-CD1 3.9Å; F9-I42 HydrophobicContact CE1-CG1 4.19Å; F9-I42 HydrophobicContact CE2-CD1 4.3Å; F9-I42 HydrophobicContact CE2-CG1 3.66Å; F9-I42 HydrophobicContact CZ-CD1 3.39Å; F9-I42 HydrophobicContact CZ-CG1 3.23Å |
| 10 | T | 65.2 | Low | 58.2 | Low | 65 Ų | 65 | 95.8 Ų | 95.8 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 175.9 | -53.9 | 0 | 0 | 0 | 0 | 111 | I6 V7 I13 L14 | I6-T10 WeakPolarHBondContact O-CB 3.34Å; I6-T10 PolarHBondContact O-N 2.97Å; I6-T10 PolarHBondContact O-OG1 3.48Å; V7-T10 PolarHBondContact O-N 3.36Å; T10-I13 WeakPolarHBondContact O-CB 3.42Å; T10-I13 PolarHBondContact O-N 2.96Å; T10-L14 HydrophobicContact CG2-CD1 4.08Å; T10-L14 WeakPolarHBondContact O-CG 3.41Å; T10-L14 PolarHBondContact O-N 3.39Å |
| 11 | V | 62.8 | Low | 58 | Low | 74 Ų | 74 | 96.4 Ų | 96.4 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 174.6 | 173 | 0 | 0 | 0 | 0 | 110.9 | V7 F9 I13 L14 V15 | V7-V11 HydrophobicContact CG1-CG2 4.37Å; V7-V11 WeakPolarHBondContact O-CB 3.42Å; V7-V11 WeakPolarHBondContact O-CG2 3.49Å; V7-V11 PolarHBondContact O-N 2.95Å; F9-V11 VanDerWaalsContact C-N 3.29Å; F9-V11 PolarHBondContact O-N 3.46Å; V11-I13 VanDerWaalsContact C-N 3.3Å; V11-I13 PolarHBondContact O-N 3.15Å; V11-L14 PolarHBondContact O-N 3.47Å; V11-V15 HydrophobicContact CG1-CG2 3.94Å; V11-V15 WeakPolarHBondContact O-CB 3.22Å; V11-V15 WeakPolarHBondContact O-CG2 3.5Å; V11-V15 PolarHBondContact O-N 3.18Å |
| 12 | L | 63.7 | Low | 58.2 | Low | 90 Ų | 90 | 89.8 Ų | 89.8 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.3 | -39.8 | 173.5 | -92.3 | 157.8 | 0 | 0 | 0 | 112.2 | T8 F9 N16 | T8-L12 HydrophobicContact CG2-CD1 4.21Å; T8-L12 WeakPolarHBondContact O-CB 3.21Å; T8-L12 PolarHBondContact O-N 3.43Å; F9-L12 WeakPolarHBondContact O-CB 3.2Å; F9-L12 PolarHBondContact O-N 3.39Å; L12-N16 VanDerWaalsContact CD2-ND2 3.28Å; L12-N16 WeakPolarHBondContact CD2-ND2 3.3Å; L12-N16 WeakPolarHBondContact O-CB 3.28Å; L12-N16 PolarHBondContact O-N 3.27Å; L12-N16 PolarHBondContact O-ND2 3.39Å |
| 13 | I | 63.3 | Low | 58.3 | Low | 53 Ų | 53 | 86.1 Ų | 86.1 | 27% | 0.272 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.8 | -55.1 | 172.2 | -62.4 | 165.5 | 0 | 0 | 0 | 109.1 | F9 T10 V11 V15 N16 F17 F38 | F9-I13 HydrophobicContact CD1-CD1 3.92Å; F9-I13 HydrophobicContact CE1-CD1 3.76Å; F9-I13 HydrophobicContact CE1-CG1 4.36Å; F9-I13 HydrophobicContact CZ-CD1 4.5Å; F9-I13 VanDerWaalsContact O-CG1 3.31Å; F9-I13 WeakPolarHBondContact O-CG1 3.44Å; F9-I13 PolarHBondContact O-N 3.17Å; T10-I13 WeakPolarHBondContact O-CB 3.42Å; T10-I13 PolarHBondContact O-N 2.96Å; V11-I13 VanDerWaalsContact C-N 3.3Å; V11-I13 PolarHBondContact O-N 3.15Å; I13-V15 VanDerWaalsContact C-N 3.28Å; I13-V15 PolarHBondContact O-N 3.28Å; I13-N16 PolarHBondContact O-N 2.94Å; I13-F17 HydrophobicContact CG2-CD2 3.65Å; I13-F17 HydrophobicContact CG2-CE2 3.95Å; I13-F17 WeakPolarHBondContact O-CB 3.37Å; I13-F17 WeakPolarHBondContact O-CD2 3.36Å; I13-F17 PolarHBondContact O-N 2.87Å; I13-F38 HydrophobicContact CD1-CE1 4.41Å; I13-F38 HydrophobicContact CD1-CE2 4.25Å; I13-F38 HydrophobicContact CD1-CZ 3.51Å; I13-F38 HydrophobicContact CG1-CE2 3.83Å; I13-F38 HydrophobicContact CG1-CZ 3.62Å |
| 14 | L | 62 | Low | 58.6 | Low | 108 Ų | 108 | 86 Ų | 86 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.2 | -37.1 | -177.6 | -78.7 | 159.6 | 0 | 0 | 0 | 113.4 | T10 V11 | T10-L14 HydrophobicContact CG2-CD1 4.08Å; T10-L14 WeakPolarHBondContact O-CG 3.41Å; T10-L14 PolarHBondContact O-N 3.39Å; V11-L14 PolarHBondContact O-N 3.47Å |
| 15 | V | 58.7 | Low | 59.1 | Low | 104 Ų | 104 | 90.1 Ų | 90.1 | 63% | 0.63 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -82.7 | -38.9 | -177.4 | 176.7 | 0 | 0 | 0 | 0 | 112 | V11 I13 F17 | V11-V15 HydrophobicContact CG1-CG2 3.94Å; V11-V15 WeakPolarHBondContact O-CB 3.22Å; V11-V15 WeakPolarHBondContact O-CG2 3.5Å; V11-V15 PolarHBondContact O-N 3.18Å; I13-V15 VanDerWaalsContact C-N 3.28Å; I13-V15 PolarHBondContact O-N 3.28Å; V15-F17 VanDerWaalsContact C-N 3.32Å |
| 16 | N | 55.6 | Low | 59.2 | Low | 113 Ų | 113 | 87.7 Ų | 87.7 | 60% | 0.604 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -81.6 | -8.9 | 176.7 | -70 | -56.5 | 0 | 0 | 0 | 113.7 | L12 I13 P18 | L12-N16 VanDerWaalsContact CD2-ND2 3.28Å; L12-N16 WeakPolarHBondContact CD2-ND2 3.3Å; L12-N16 WeakPolarHBondContact O-CB 3.28Å; L12-N16 PolarHBondContact O-N 3.27Å; L12-N16 PolarHBondContact O-ND2 3.39Å; I13-N16 PolarHBondContact O-N 2.94Å; N16-P18 WeakPolarHBondContact O-CD 3.31Å |
| 17 | F | 55.4 | Low | 59.6 | Low | 59 Ų | 59 | 88.3 Ų | 88.3 | 26% | 0.259 | 48% | 0.483 | S | S | . | . | trans | -96.2 | 80.8 | 164.6 | -80.7 | -79.9 | 0 | 0 | 0 | 109.5 | I13 V15 N19 L23 | I13-F17 HydrophobicContact CG2-CD2 3.65Å; I13-F17 HydrophobicContact CG2-CE2 3.95Å; I13-F17 WeakPolarHBondContact O-CB 3.37Å; I13-F17 WeakPolarHBondContact O-CD2 3.36Å; I13-F17 PolarHBondContact O-N 2.87Å; V15-F17 VanDerWaalsContact C-N 3.32Å; F17-N19 PolarHBondContact O-N 2.95Å; F17-L23 HydrophobicContact CD1-CD1 3.71Å; F17-L23 HydrophobicContact CD1-CD2 4.11Å; F17-L23 HydrophobicContact CD1-CG 3.73Å; F17-L23 HydrophobicContact CE1-CD1 3.55Å; F17-L23 HydrophobicContact CE1-CD2 3.32Å; F17-L23 HydrophobicContact CE1-CG 3.46Å; F17-L23 VanDerWaalsContact CE1-CG 3.46Å; F17-L23 HydrophobicContact CE2-CD1 4.38Å; F17-L23 HydrophobicContact CG-CD1 4.24Å; F17-L23 HydrophobicContact CZ-CD1 3.9Å; F17-L23 HydrophobicContact CZ-CD2 3.87Å; F17-L23 HydrophobicContact CZ-CG 4.21Å | ||
| 18 | P | 54.6 | Low | 60.4 | Low | 117 Ų | 117 | 90.7 Ų | 90.7 | 76% | 0.76 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -9 | 173.9 | 25.9 | -34 | 0 | 0 | 0 | 112.7 | N16 | N16-P18 WeakPolarHBondContact O-CD 3.31Š|
| 19 | N | 50.8 | Low | 61.1 | Low | 93 Ų | 93 | 89.8 Ų | 89.8 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.8 | 90.7 | 167.2 | -91.2 | -61.3 | 0 | 0 | 0 | 109.9 | F17 N21 C22 | F17-N19 PolarHBondContact O-N 2.95Å; N19-N21 PolarHBondContact O-N 3.37Å; N19-C22 HydrophobicContact CB-CB 3.6Å; N19-C22 WeakPolarHBondContact O-CA 3.48Å; N19-C22 WeakPolarHBondContact O-CB 3.46Å; N19-C22 PolarHBondContact O-N 3.4Å |
| 20 | V | 53 | Low | 61.8 | Low | 80 Ų | 80 | 91.8 Ų | 91.8 | 49% | 0.485 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.3 | -26 | 161.8 | -138.8 | 0 | 0 | 0 | 0 | 110.6 | C22 L23 | V20-C22 VanDerWaalsContact C-N 3.27Å; V20-C22 PolarHBondContact O-N 2.91Å; V20-L23 HydrophobicContact CG1-CD1 4.28Å; V20-L23 WeakPolarHBondContact O-CB 3.4Å; V20-L23 PolarHBondContact O-N 3.37Å |
| 21 | N | 54 | Low | 62.1 | Low | 109 Ų | 109 | 92.5 Ų | 92.5 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.5 | -22.5 | 169.3 | -73.6 | -25.4 | 0 | 0 | 0 | 114.4 | N19 | N19-N21 PolarHBondContact O-N 3.37Å |
| 22 | C | 53.4 | Low | 62.7 | Low | 66 Ų | 66 | 95 Ų | 95 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -74.3 | -34.7 | 175.9 | -156.4 | 0 | 0 | 0 | 0 | 110.5 | N19 V20 L24 K25 L26 | N19-C22 HydrophobicContact CB-CB 3.6Å; N19-C22 WeakPolarHBondContact O-CA 3.48Å; N19-C22 WeakPolarHBondContact O-CB 3.46Å; N19-C22 PolarHBondContact O-N 3.4Å; V20-C22 VanDerWaalsContact C-N 3.27Å; V20-C22 PolarHBondContact O-N 2.91Å; C22-L24 PolarHBondContact O-N 3.45Å; C22-K25 PolarHBondContact O-N 3.38Å; C22-L26 WeakPolarHBondContact O-CG 3.44Å; C22-L26 PolarHBondContact O-N 3.42Å |
| 23 | L | 53.8 | Low | 63.4 | Low | 48 Ų | 48 | 99.4 Ų | 99.4 | 25% | 0.251 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.3 | -34.2 | 173.3 | -72.8 | 175.9 | 0 | 0 | 0 | 112.8 | F17 V20 K25 L26 K31 L34 | F17-L23 HydrophobicContact CD1-CD1 3.71Å; F17-L23 HydrophobicContact CD1-CD2 4.11Å; F17-L23 HydrophobicContact CD1-CG 3.73Å; F17-L23 HydrophobicContact CE1-CD1 3.55Å; F17-L23 HydrophobicContact CE1-CD2 3.32Å; F17-L23 HydrophobicContact CE1-CG 3.46Å; F17-L23 VanDerWaalsContact CE1-CG 3.46Å; F17-L23 HydrophobicContact CE2-CD1 4.38Å; F17-L23 HydrophobicContact CG-CD1 4.24Å; F17-L23 HydrophobicContact CZ-CD1 3.9Å; F17-L23 HydrophobicContact CZ-CD2 3.87Å; F17-L23 HydrophobicContact CZ-CG 4.21Å; V20-L23 HydrophobicContact CG1-CD1 4.28Å; V20-L23 WeakPolarHBondContact O-CB 3.4Å; V20-L23 PolarHBondContact O-N 3.37Å; L23-K25 VanDerWaalsContact C-N 3.25Å; L23-K25 PolarHBondContact O-N 2.7Å; L23-L26 HydrophobicContact CD2-CD1 3.59Å; L23-L26 HydrophobicContact CG-CD1 4.45Å; L23-L26 PolarHBondContact O-N 2.86Å; L23-K31 WeakPolarHBondContact O-CE 3.47Å; L23-L34 HydrophobicContact CD2-CD1 4.03Å |
| 24 | L | 58.4 | Low | 63.9 | Low | 138 Ų | 138 | 100.1 Ų | 100.1 | 72% | 0.723 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.5 | -27.2 | 176.1 | -70.1 | 170.8 | 0 | 0 | 0 | 112.7 | C22 | C22-L24 PolarHBondContact O-N 3.45Å |
| 25 | K | 64.9 | Low | 64.4 | Low | 176 Ų | 176 | 101.8 Ų | 101.8 | 77% | 0.765 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -90.5 | -10 | -179.7 | -68.1 | -174 | 176 | -177.2 | 0 | 114.1 | C22 L23 | C22-K25 PolarHBondContact O-N 3.38Å; L23-K25 VanDerWaalsContact C-N 3.25Å; L23-K25 PolarHBondContact O-N 2.7Å |
| 26 | L | 65 | Low | 65.3 | Low | 33 Ų | 33 | 101.5 Ų | 101.5 | 17% | 0.173 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -73.9 | 135.6 | 178.7 | -71.8 | 158.4 | 0 | 0 | 0 | 109.5 | C22 L23 E30 K31 L34 | C22-L26 WeakPolarHBondContact O-CG 3.44Å; C22-L26 PolarHBondContact O-N 3.42Å; L23-L26 HydrophobicContact CD2-CD1 3.59Å; L23-L26 HydrophobicContact CG-CD1 4.45Å; L23-L26 PolarHBondContact O-N 2.86Å; L26-E30 HydrophobicContact CB-CB 4.13Å; L26-E30 HydrophobicContact CD2-CB 3.83Å; L26-E30 HydrophobicContact CD2-CG 4.38Å; L26-E30 WeakPolarHBondContact CD2-OE2 3.39Å; L26-K31 HydrophobicContact CB-CG 3.91Å; L26-K31 WeakPolarHBondContact O-CE 3.42Å; L26-K31 PolarHBondContact O-NZ 2.84Å; L26-L34 HydrophobicContact CD1-CD1 3.44Å; L26-L34 VanDerWaalsContact CD1-CD1 3.44Å |
| 27 | D | 75 | Confident | 66.3 | Low | 118 Ų | 118 | 101 Ų | 101 | 63% | 0.631 | 52% | 0.518 | S | S | * | . | trans | -65.1 | 156.3 | 173.3 | -76.3 | -26.7 | 0 | 0 | 0 | 109.8 | A29 E30 K31 | D27-A29 PolarHBondContact O-N 3.25Å; D27-A29 VanDerWaalsContact O-N 3.09Å; D27-E30 PolarHBondContact N-OE2 2.83Å; D27-E30 PolarHBondContact O-N 3.49Å; D27-K31 PolarHBondContact O-N 2.88Å | ||
| 28 | D | 76.7 | Confident | 67.1 | Low | 126 Ų | 126 | 101.8 Ų | 101.8 | 67% | 0.674 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.3 | -32.2 | -174.6 | -68.4 | -27.1 | 0 | 0 | 0 | 112.5 | K31 E32 | D28-K31 PolarHBondContact O-N 3.23Å; D28-K31 IonicContact OD1-NZ 3.54Å; D28-E32 WeakPolarHBondContact O-CB 3.21Å; D28-E32 PolarHBondContact O-N 2.83Å |
| 29 | A | 77.3 | Confident | 68.2 | Low | 62 Ų | 62 | 99.2 Ų | 99.2 | 51% | 0.512 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -37.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D27 R33 | D27-A29 PolarHBondContact O-N 3.25Å; D27-A29 VanDerWaalsContact O-N 3.09Å; A29-R33 WeakPolarHBondContact O-CG 3.3Å; A29-R33 PolarHBondContact O-N 3.37Å |
| 30 | E | 74.2 | Confident | 69.5 | Low | 95 Ų | 95 | 100.8 Ų | 100.8 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -75.2 | -36.5 | 177.4 | -65 | -179.8 | 126.2 | 0 | 0 | 111.2 | L26 D27 E32 R33 L34 | L26-E30 HydrophobicContact CB-CB 4.13Å; L26-E30 HydrophobicContact CD2-CB 3.83Å; L26-E30 HydrophobicContact CD2-CG 4.38Å; L26-E30 WeakPolarHBondContact CD2-OE2 3.39Å; D27-E30 PolarHBondContact N-OE2 2.83Å; D27-E30 PolarHBondContact O-N 3.49Å; E30-E32 VanDerWaalsContact C-N 3.31Å; E30-R33 PolarHBondContact O-N 3.33Å; E30-L34 WeakPolarHBondContact O-CB 3.34Å; E30-L34 WeakPolarHBondContact O-CG 3.41Å; E30-L34 PolarHBondContact O-N 3.29Å |
| 31 | K | 70.9 | Confident | 70.5 | Confident | 80 Ų | 80 | 99.3 Ų | 99.3 | 35% | 0.348 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 171.4 | -68.8 | 177.7 | -177.6 | 131.5 | 0 | 111.4 | L23 L26 D27 D28 L34 K35 | L23-K31 WeakPolarHBondContact O-CE 3.47Å; L26-K31 HydrophobicContact CB-CG 3.91Å; L26-K31 WeakPolarHBondContact O-CE 3.42Å; L26-K31 PolarHBondContact O-NZ 2.84Å; D27-K31 PolarHBondContact O-N 2.88Å; D28-K31 PolarHBondContact O-N 3.23Å; D28-K31 IonicContact OD1-NZ 3.54Å; K31-L34 PolarHBondContact O-N 3.14Å; K31-K35 VanDerWaalsContact O-CB 3.3Å; K31-K35 WeakPolarHBondContact O-CB 3.22Å; K31-K35 PolarHBondContact O-N 2.78Å |
| 32 | E | 77.3 | Confident | 71.3 | Confident | 126 Ų | 126 | 95.9 Ų | 95.9 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.2 | -46.5 | 177.4 | -170.2 | 171.3 | -160.1 | 0 | 0 | 111.1 | D28 E30 L34 K35 D36 | D28-E32 WeakPolarHBondContact O-CB 3.21Å; D28-E32 PolarHBondContact O-N 2.83Å; E30-E32 VanDerWaalsContact C-N 3.31Å; E32-L34 PolarHBondContact O-N 3.48Å; E32-K35 WeakPolarHBondContact O-CB 3.01Å; E32-K35 PolarHBondContact O-N 3.2Å; E32-D36 PolarHBondContact O-N 3.07Å |
| 33 | R | 77 | Confident | 72.2 | Confident | 184 Ų | 184 | 96.6 Ų | 96.6 | 69% | 0.694 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -58.6 | -46.3 | 173.9 | -74.4 | 179.5 | -177.4 | -150.5 | 1.9 | 112.7 | A29 E30 K35 D36 D37 | A29-R33 WeakPolarHBondContact O-CG 3.3Å; A29-R33 PolarHBondContact O-N 3.37Å; E30-R33 PolarHBondContact O-N 3.33Å; R33-K35 VanDerWaalsContact C-N 3.3Å; R33-K35 PolarHBondContact O-N 2.96Å; R33-D36 PolarHBondContact O-N 3.27Å; R33-D37 WeakPolarHBondContact O-CB 3.22Å; R33-D37 PolarHBondContact O-N 3.36Å |
| 34 | L | 74 | Confident | 73.3 | Confident | 67 Ų | 67 | 99 Ų | 99 | 35% | 0.351 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 177.7 | -80.9 | 169.9 | 0 | 0 | 0 | 111.9 | L23 L26 E30 K31 E32 D36 F38 | L23-L34 HydrophobicContact CD2-CD1 4.03Å; L26-L34 HydrophobicContact CD1-CD1 3.44Å; L26-L34 VanDerWaalsContact CD1-CD1 3.44Å; E30-L34 WeakPolarHBondContact O-CB 3.34Å; E30-L34 WeakPolarHBondContact O-CG 3.41Å; E30-L34 PolarHBondContact O-N 3.29Å; K31-L34 PolarHBondContact O-N 3.14Å; E32-L34 PolarHBondContact O-N 3.48Å; L34-D36 VanDerWaalsContact C-N 3.33Å; L34-F38 WeakPolarHBondContact O-CB 3.33Å; L34-F38 PolarHBondContact O-N 2.96Å |
| 35 | K | 73.4 | Confident | 73.8 | Confident | 143 Ų | 143 | 97.1 Ų | 97.1 | 62% | 0.622 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.7 | -42.8 | 174.8 | -176.9 | -174.6 | 171.3 | -167.7 | 0 | 110.8 | K31 E32 R33 F38 V39 | K31-K35 VanDerWaalsContact O-CB 3.3Å; K31-K35 WeakPolarHBondContact O-CB 3.22Å; K31-K35 PolarHBondContact O-N 2.78Å; E32-K35 WeakPolarHBondContact O-CB 3.01Å; E32-K35 PolarHBondContact O-N 3.2Å; R33-K35 VanDerWaalsContact C-N 3.3Å; R33-K35 PolarHBondContact O-N 2.96Å; K35-F38 PolarHBondContact O-N 3.4Å; K35-V39 WeakPolarHBondContact O-CB 3.28Å; K35-V39 VanDerWaalsContact O-CG2 3.22Å; K35-V39 WeakPolarHBondContact O-CG2 3.2Å; K35-V39 PolarHBondContact O-N 3.2Å |
| 36 | D | 77.1 | Confident | 74 | Confident | 98 Ų | 98 | 91.8 Ų | 91.8 | 52% | 0.524 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.1 | -46.7 | 178 | -76 | -12 | 0 | 0 | 0 | 112.1 | E32 R33 L34 F38 V39 K40 | E32-D36 PolarHBondContact O-N 3.07Å; R33-D36 PolarHBondContact O-N 3.27Å; L34-D36 VanDerWaalsContact C-N 3.33Å; D36-F38 PolarHBondContact O-N 3.02Å; D36-V39 PolarHBondContact O-N 3.31Å; D36-K40 WeakPolarHBondContact O-CB 3.45Å; D36-K40 PolarHBondContact O-N 2.92Å |
| 37 | D | 77.1 | Confident | 74.2 | Confident | 103 Ų | 103 | 97.8 Ų | 97.8 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.2 | -39.7 | 175 | -75.7 | -21.4 | 0 | 0 | 0 | 111 | R33 K40 A41 | R33-D37 WeakPolarHBondContact O-CB 3.22Å; R33-D37 PolarHBondContact O-N 3.36Å; D37-K40 PolarHBondContact O-N 3.2Å; D37-A41 WeakPolarHBondContact O-CB 3.32Å; D37-A41 PolarHBondContact O-N 3.1Å |
| 38 | F | 72.5 | Confident | 74.1 | Confident | 75 Ų | 75 | 99.3 Ų | 99.3 | 33% | 0.329 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.2 | -46.9 | 177.6 | -175.3 | -110.3 | 0 | 0 | 0 | 112.4 | F9 I13 L34 K35 D36 K40 A41 I42 | F9-F38 HydrophobicContact CD1-CZ 4.48Å; F9-F38 AromaticContact CE1-CE1 3.82Å; F9-F38 HydrophobicContact CE1-CE1 3.82Å; F9-F38 HydrophobicContact CE1-CE2 4.17Å; F9-F38 AromaticContact CE1-CZ 3.28Å; F9-F38 HydrophobicContact CE1-CZ 3.28Å; F9-F38 HydrophobicContact CE2-CE2 4.34Å; F9-F38 HydrophobicContact CE2-CZ 4.21Å; F9-F38 AromaticContact CZ-CE1 3.73Å; F9-F38 HydrophobicContact CZ-CE1 3.73Å; F9-F38 AromaticContact CZ-CE2 3.56Å; F9-F38 HydrophobicContact CZ-CE2 3.56Å; F9-F38 AromaticContact CZ-CZ 3.07Å; F9-F38 HydrophobicContact CZ-CZ 3.07Å; I13-F38 HydrophobicContact CD1-CE1 4.41Å; I13-F38 HydrophobicContact CD1-CE2 4.25Å; I13-F38 HydrophobicContact CD1-CZ 3.51Å; I13-F38 HydrophobicContact CG1-CE2 3.83Å; I13-F38 HydrophobicContact CG1-CZ 3.62Å; L34-F38 WeakPolarHBondContact O-CB 3.33Å; L34-F38 PolarHBondContact O-N 2.96Å; K35-F38 PolarHBondContact O-N 3.4Å; D36-F38 PolarHBondContact O-N 3.02Å; F38-K40 PolarHBondContact O-N 2.81Å; F38-A41 PolarHBondContact O-N 3.47Å; F38-I42 HydrophobicContact CD1-CD1 3.71Å; F38-I42 HydrophobicContact CD1-CG1 4.49Å; F38-I42 HydrophobicContact CE1-CD1 3.54Å; F38-I42 HydrophobicContact CE1-CG1 4.4Å; F38-I42 HydrophobicContact CG-CD1 4.43Å; F38-I42 HydrophobicContact CZ-CD1 4.11Å; F38-I42 VanDerWaalsContact O-CG1 3.28Å; F38-I42 WeakPolarHBondContact O-CG1 3.4Å; F38-I42 PolarHBondContact O-N 2.95Å |
| 39 | V | 76 | Confident | 73.3 | Confident | 64 Ų | 64 | 96.4 Ų | 96.4 | 39% | 0.388 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 175 | 167.7 | 0 | 0 | 0 | 0 | 110.5 | K35 D36 I42 N43 | K35-V39 WeakPolarHBondContact O-CB 3.28Å; K35-V39 VanDerWaalsContact O-CG2 3.22Å; K35-V39 WeakPolarHBondContact O-CG2 3.2Å; K35-V39 PolarHBondContact O-N 3.2Å; D36-V39 PolarHBondContact O-N 3.31Å; V39-I42 PolarHBondContact O-N 2.88Å; V39-N43 WeakPolarHBondContact O-CB 3.42Å; V39-N43 VanDerWaalsContact O-CG 3.23Å; V39-N43 PolarHBondContact O-N 3.41Å; V39-N43 PolarHBondContact O-ND2 2.85Å; V39-N43 VanDerWaalsContact O-ND2 3.1Å |
| 40 | K | 78.2 | Confident | 72.3 | Confident | 126 Ų | 126 | 97.4 Ų | 97.4 | 55% | 0.548 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.8 | -48.9 | 175.3 | -174.4 | -177.5 | 175.4 | -171.6 | 0 | 111.5 | D36 D37 F38 I42 N43 E44 | D36-K40 WeakPolarHBondContact O-CB 3.45Å; D36-K40 PolarHBondContact O-N 2.92Å; D37-K40 PolarHBondContact O-N 3.2Å; F38-K40 PolarHBondContact O-N 2.81Å; K40-I42 VanDerWaalsContact C-N 3.34Å; K40-I42 PolarHBondContact O-N 3.31Å; K40-N43 PolarHBondContact O-N 3.37Å; K40-N43 VanDerWaalsContact O-N 3.14Å; K40-E44 WeakPolarHBondContact CE-OE1 3.34Å; K40-E44 WeakPolarHBondContact O-CG 3.45Å; K40-E44 PolarHBondContact O-N 3.42Å |
| 41 | A | 75.5 | Confident | 71.5 | Confident | 49 Ų | 49 | 97.6 Ų | 97.6 | 41% | 0.405 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D37 F38 N43 E44 E45 | D37-A41 WeakPolarHBondContact O-CB 3.32Å; D37-A41 PolarHBondContact O-N 3.1Å; F38-A41 PolarHBondContact O-N 3.47Å; A41-N43 PolarHBondContact O-N 2.92Å; A41-E44 PolarHBondContact O-N 2.85Å; A41-E45 PolarHBondContact O-N 2.9Å |
| 42 | I | 69.9 | Low | 70.8 | Confident | 36 Ų | 36 | 96.4 Ų | 96.4 | 19% | 0.185 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -58.1 | -49.5 | 173 | -68.3 | 168.7 | 0 | 0 | 0 | 110.6 | F9 F38 V39 K40 E44 E45 L46 | F9-I42 HydrophobicContact CE1-CD1 3.9Å; F9-I42 HydrophobicContact CE1-CG1 4.19Å; F9-I42 HydrophobicContact CE2-CD1 4.3Å; F9-I42 HydrophobicContact CE2-CG1 3.66Å; F9-I42 HydrophobicContact CZ-CD1 3.39Å; F9-I42 HydrophobicContact CZ-CG1 3.23Å; F38-I42 HydrophobicContact CD1-CD1 3.71Å; F38-I42 HydrophobicContact CD1-CG1 4.49Å; F38-I42 HydrophobicContact CE1-CD1 3.54Å; F38-I42 HydrophobicContact CE1-CG1 4.4Å; F38-I42 HydrophobicContact CG-CD1 4.43Å; F38-I42 HydrophobicContact CZ-CD1 4.11Å; F38-I42 VanDerWaalsContact O-CG1 3.28Å; F38-I42 WeakPolarHBondContact O-CG1 3.4Å; F38-I42 PolarHBondContact O-N 2.95Å; V39-I42 PolarHBondContact O-N 2.88Å; K40-I42 VanDerWaalsContact C-N 3.34Å; K40-I42 PolarHBondContact O-N 3.31Å; I42-E44 VanDerWaalsContact C-N 3.26Å; I42-E44 PolarHBondContact O-N 3.43Å; I42-E45 PolarHBondContact O-N 3.24Å; I42-L46 HydrophobicContact CG2-CD1 3.62Å; I42-L46 HydrophobicContact CG2-CG 3.93Å; I42-L46 WeakPolarHBondContact O-CB 3.06Å; I42-L46 VanDerWaalsContact O-CG 3.3Å; I42-L46 WeakPolarHBondContact O-CG 3.41Å; I42-L46 PolarHBondContact O-N 2.92Å |
| 43 | N | 73.2 | Confident | 69.5 | Low | 81 Ų | 81 | 95 Ų | 95 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -34.5 | -177.5 | -75.7 | -33.4 | 0 | 0 | 0 | 111.7 | V39 K40 A41 K47 | V39-N43 WeakPolarHBondContact O-CB 3.42Å; V39-N43 VanDerWaalsContact O-CG 3.23Å; V39-N43 PolarHBondContact O-N 3.41Å; V39-N43 PolarHBondContact O-ND2 2.85Å; V39-N43 VanDerWaalsContact O-ND2 3.1Å; K40-N43 PolarHBondContact O-N 3.37Å; K40-N43 VanDerWaalsContact O-N 3.14Å; A41-N43 PolarHBondContact O-N 2.92Å; N43-K47 WeakPolarHBondContact O-CB 3.39Å; N43-K47 WeakPolarHBondContact O-CG 3.22Å; N43-K47 PolarHBondContact O-N 3.43Å |
| 44 | E | 75.9 | Confident | 68 | Low | 100 Ų | 100 | 90.9 Ų | 90.9 | 47% | 0.467 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.1 | -43.5 | 173.2 | -72.8 | 178.9 | -172.2 | 0 | 0 | 112 | K40 A41 I42 K47 K48 | K40-E44 WeakPolarHBondContact CE-OE1 3.34Å; K40-E44 WeakPolarHBondContact O-CG 3.45Å; K40-E44 PolarHBondContact O-N 3.42Å; A41-E44 PolarHBondContact O-N 2.85Å; I42-E44 VanDerWaalsContact C-N 3.26Å; I42-E44 PolarHBondContact O-N 3.43Å; E44-K47 WeakPolarHBondContact O-CB 3.44Å; E44-K47 PolarHBondContact O-N 2.66Å; E44-K48 PolarHBondContact O-N 3.25Å |
| 45 | E | 69.6 | Low | 66.5 | Low | 97 Ų | 97 | 90.8 Ų | 90.8 | 45% | 0.453 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 175.6 | -72.4 | -57.8 | 141 | 0 | 0 | 112.6 | A41 I42 K47 K48 L49 | A41-E45 PolarHBondContact O-N 2.9Å; I42-E45 PolarHBondContact O-N 3.24Å; E45-K47 PolarHBondContact O-N 2.92Å; E45-K48 WeakPolarHBondContact O-CB 3.48Å; E45-K48 PolarHBondContact O-N 3.42Å; E45-K48 IonicContact OE1-NZ 2.66Å; E45-K48 PolarHBondContact OE1-NZ 2.97Å; E45-K48 IonicContact OE2-NZ 3.75Å; E45-L49 PolarHBondContact O-N 2.9Å |
| 46 | L | 67.7 | Low | 65.2 | Low | 64 Ų | 64 | 87.9 Ų | 87.9 | 34% | 0.335 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63 | -31.3 | 175.2 | -73.2 | -179.9 | 0 | 0 | 0 | 112.3 | F5 I42 K48 L49 Q54 | F5-L46 HydrophobicContact CE1-CD2 4.07Å; F5-L46 HydrophobicContact CE2-CD2 4.48Å; F5-L46 HydrophobicContact CZ-CD2 3.72Å; I42-L46 HydrophobicContact CG2-CD1 3.62Å; I42-L46 HydrophobicContact CG2-CG 3.93Å; I42-L46 WeakPolarHBondContact O-CB 3.06Å; I42-L46 VanDerWaalsContact O-CG 3.3Å; I42-L46 WeakPolarHBondContact O-CG 3.41Å; I42-L46 PolarHBondContact O-N 2.92Å; L46-K48 VanDerWaalsContact C-N 3.31Å; L46-L49 HydrophobicContact CD2-CD1 3.73Å; L46-L49 WeakPolarHBondContact O-CB 3.01Å; L46-L49 PolarHBondContact O-N 3.37Å; L46-Q54 PolarHBondContact O-NE2 3.45Å |
| 47 | K | 69.7 | Low | 63.5 | Low | 160 Ų | 160 | 88.5 Ų | 88.5 | 70% | 0.696 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.5 | -29.4 | 172.7 | -79.7 | 171.8 | -177.9 | -179.1 | 0 | 112.7 | N43 E44 E45 L49 | N43-K47 WeakPolarHBondContact O-CB 3.39Å; N43-K47 WeakPolarHBondContact O-CG 3.22Å; N43-K47 PolarHBondContact O-N 3.43Å; E44-K47 WeakPolarHBondContact O-CB 3.44Å; E44-K47 PolarHBondContact O-N 2.66Å; E45-K47 PolarHBondContact O-N 2.92Å; K47-L49 VanDerWaalsContact C-N 3.28Å |
| 48 | K | 73.5 | Confident | 61.7 | Low | 150 Ų | 150 | 88 Ų | 88 | 65% | 0.652 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -72.3 | -25.1 | 174.3 | -63.5 | 173.6 | -171.7 | 172.7 | 0 | 111.8 | E44 E45 L46 S50 | E44-K48 PolarHBondContact O-N 3.25Å; E45-K48 WeakPolarHBondContact O-CB 3.48Å; E45-K48 PolarHBondContact O-N 3.42Å; E45-K48 IonicContact OE1-NZ 2.66Å; E45-K48 PolarHBondContact OE1-NZ 2.97Å; E45-K48 IonicContact OE2-NZ 3.75Å; L46-K48 VanDerWaalsContact C-N 3.31Å; K48-S50 PolarHBondContact O-N 3.17Å |
| 49 | L | 58.7 | Low | 60.2 | Low | 64 Ų | 64 | 92 Ų | 92 | 34% | 0.335 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -66.1 | 130.8 | 171.4 | -60.4 | 176.9 | 0 | 0 | 0 | 109.3 | F5 E45 L46 K47 Q54 | F5-L49 HydrophobicContact CE2-CD1 4.14Å; E45-L49 PolarHBondContact O-N 2.9Å; L46-L49 HydrophobicContact CD2-CD1 3.73Å; L46-L49 WeakPolarHBondContact O-CB 3.01Å; L46-L49 PolarHBondContact O-N 3.37Å; K47-L49 VanDerWaalsContact C-N 3.28Å; L49-Q54 PolarHBondContact O-NE2 2.93Å |
| 50 | S | 57.1 | Low | 58.4 | Low | 84 Ų | 84 | 98.7 Ų | 98.7 | 59% | 0.587 | 53% | 0.528 | S | S | * | . | trans | -52.3 | 141.7 | 179.9 | -171.2 | 0 | 0 | 0 | 0 | 110.4 | K48 G52 D53 | K48-S50 PolarHBondContact O-N 3.17Å; S50-G52 PolarHBondContact O-N 3.38Å; S50-D53 PolarHBondContact O-N 2.93Å | ||
| 51 | P | 56.9 | Low | 56.6 | Low | 98 Ų | 98 | 103.9 Ų | 103.9 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -54.8 | -17.9 | -175.5 | 17.3 | -31.2 | 0 | 0 | 0 | 114.9 | D53 Q54 | P51-D53 PolarHBondContact O-N 3.3Å; P51-Q54 PolarHBondContact O-N 3.35Å; P51-Q54 VanDerWaalsContact O-N 3.15Å |
| 52 | G | 55.9 | Low | 55.2 | Low | 55 Ų | 55 | 110.7 Ų | 110.7 | 57% | 0.567 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -54.6 | -34.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S50 S55 | S50-G52 PolarHBondContact O-N 3.38Å; G52-S55 PolarHBondContact O-OG 3.19Å |
| 53 | D | 50.5 | Low | 53.9 | Low | 97 Ų | 97 | 117.6 Ų | 117.6 | 52% | 0.519 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -86.7 | -16.6 | 179 | -71.3 | -40.5 | 0 | 0 | 0 | 113.6 | S50 P51 S55 | S50-D53 PolarHBondContact O-N 2.93Å; P51-D53 PolarHBondContact O-N 3.3Å; D53-S55 VanDerWaalsContact C-N 3.33Å |
| 54 | Q | 45.9 | Very low | 52.6 | Low | 98 Ų | 98 | 125.6 Ų | 125.6 | 46% | 0.458 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -79.2 | -15.5 | 179.2 | -65 | -177.8 | 21.6 | 0 | 0 | 113.1 | L46 L49 P51 I56 S57 | L46-Q54 PolarHBondContact O-NE2 3.45Å; L49-Q54 PolarHBondContact O-NE2 2.93Å; P51-Q54 PolarHBondContact O-N 3.35Å; P51-Q54 VanDerWaalsContact O-N 3.15Å; Q54-I56 PolarHBondContact O-N 2.86Å; Q54-S57 PolarHBondContact O-N 2.88Å |
| 55 | S | 42.1 | Very low | 50.8 | Low | 65 Ų | 65 | 122 Ų | 122 | 46% | 0.455 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.2 | -14.4 | -175.2 | 62.7 | 0 | 0 | 0 | 0 | 115.2 | G52 D53 S58 | G52-S55 PolarHBondContact O-OG 3.19Å; D53-S55 VanDerWaalsContact C-N 3.33Å; S55-S58 PolarHBondContact O-OG 3.44Å |
| 56 | I | 46 | Very low | 49.8 | Very low | 82 Ų | 82 | 125 Ų | 125 | 42% | 0.421 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -84 | -14 | -177.5 | -55.2 | 175.6 | 0 | 0 | 0 | 112.5 | Q54 S58 | Q54-I56 PolarHBondContact O-N 2.86Å; I56-S58 VanDerWaalsContact C-N 3.33Å; I56-S58 PolarHBondContact O-N 3.43Å |
| 57 | S | 41.1 | Very low | 48.6 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 77% | 0.769 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.1 | -35.3 | 177.2 | 171 | 0 | 0 | 0 | 0 | 112.8 | Q54 | Q54-S57 PolarHBondContact O-N 2.88Å |
| 58 | S | 40.4 | Very low | 47.4 | Very low | 92 Ų | 92 | 124.6 Ų | 124.6 | 64% | 0.643 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -85 | -32 | -177.9 | 41.4 | 0 | 0 | 0 | 0 | 113.3 | S55 I56 | S55-S58 PolarHBondContact O-OG 3.44Å; I56-S58 VanDerWaalsContact C-N 3.33Å; I56-S58 PolarHBondContact O-N 3.43Å |
| 59 | E | 39.8 | Very low | 46.2 | Very low | 161 Ų | 161 | 120.5 Ų | 120.5 | 75% | 0.752 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -88.3 | -21.2 | -166.5 | -155.5 | 155.4 | -163.7 | 0 | 0 | 114.6 | ||
| 60 | R | 39.7 | Very low | 45.9 | Very low | 203 Ų | 203 | 122.5 Ų | 122.5 | 77% | 0.766 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -95 | 10.4 | 176.7 | -88.2 | -170 | -173.2 | 177.4 | 4.8 | 116.2 | K62 K63 | R60-K62 PolarHBondContact O-N 3.45Å; R60-K63 PolarHBondContact O-N 2.87Å |
| 61 | R | 40.4 | Very low | 45.5 | Very low | 236 Ų | 236 | 125.1 Ų | 125.1 | 89% | 0.891 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -59.3 | -8.2 | 159.6 | -115.1 | -177.7 | -178.3 | 177.6 | 1.5 | 113.2 | ||
| 62 | K | 45.3 | Very low | 44.9 | Very low | 191 Ų | 191 | 122.4 Ų | 122.4 | 83% | 0.83 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -95.1 | 3.2 | -179.2 | -128.6 | -179.7 | -175.9 | 178.9 | 0 | 117 | R60 | R60-K62 PolarHBondContact O-N 3.45Š|
| 63 | K | 43.2 | Very low | 44.7 | Very low | 181 Ų | 181 | 124.9 Ų | 124.9 | 79% | 0.787 | 63% | 0.631 | S | S | * | * | trans | -113.2 | 81.1 | 165.2 | -72.3 | -163.9 | 177.1 | -174.3 | 0 | 110.5 | R60 G65 | R60-K63 PolarHBondContact O-N 2.87Å; K63-G65 PolarHBondContact O-N 3.4Å | ||
| 64 | R | 44.4 | Very low | 44.7 | Very low | 249 Ų | 249 | 123.5 Ų | 123.5 | 94% | 0.94 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | 63.1 | 160.8 | -73.1 | 175.6 | 157.3 | 178.9 | -6.8 | 111.9 | ||
| 65 | G | 39.6 | Very low | 45 | Very low | 26 Ų | 26 | 123.4 Ų | 123.4 | 27% | 0.268 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -142.2 | -10.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | K63 G67 E68 S69 | K63-G65 PolarHBondContact O-N 3.4Å; G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 2.92Å; G65-E68 PolarHBondContact O-N 2.85Å; G65-S69 PolarHBondContact O-N 2.85Å; G65-S69 PolarHBondContact O-OG 3.06Å |
| 66 | F | 47 | Very low | 45.4 | Very low | 159 Ų | 159 | 127.8 Ų | 127.8 | 70% | 0.697 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.8 | -25.5 | 179.9 | -150.3 | -99.8 | 0 | 0 | 0 | 112.8 | I70 | F66-I70 HydrophobicContact CD1-CD1 4.22Å; F66-I70 HydrophobicContact CE1-CD1 3.99Å; F66-I70 HydrophobicContact CE1-CG1 4.35Å |
| 67 | G | 44.3 | Very low | 45.7 | Very low | 61 Ų | 61 | 133.8 Ų | 133.8 | 63% | 0.629 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -69.5 | -30.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G65 | G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 2.92Å |
| 68 | E | 44.4 | Very low | 45.9 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 72% | 0.72 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -79.9 | -29.8 | 176.1 | -71.2 | -177.2 | 149.2 | 0 | 0 | 112.1 | G65 G72 | G65-E68 PolarHBondContact O-N 2.85Å; E68-G72 PolarHBondContact O-N 3.19Å |
| 69 | S | 48 | Very low | 46.1 | Very low | 65 Ų | 65 | 140 Ų | 140 | 46% | 0.455 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -70.9 | -34.8 | 179.2 | -59.2 | 0 | 0 | 0 | 0 | 113.8 | G65 L73 | G65-S69 PolarHBondContact O-N 2.85Å; G65-S69 PolarHBondContact O-OG 3.06Å; S69-L73 WeakPolarHBondContact O-CB 2.88Å; S69-L73 WeakPolarHBondContact O-CG 3.38Å; S69-L73 PolarHBondContact O-N 3.42Å |
| 70 | I | 52.1 | Low | 46.4 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 54% | 0.544 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -71.8 | -41.7 | 177.8 | -61.3 | -177.4 | 0 | 0 | 0 | 110.7 | F66 G72 L73 A74 | F66-I70 HydrophobicContact CD1-CD1 4.22Å; F66-I70 HydrophobicContact CE1-CD1 3.99Å; F66-I70 HydrophobicContact CE1-CG1 4.35Å; I70-G72 VanDerWaalsContact C-N 3.35Å; I70-L73 PolarHBondContact O-N 2.96Å; I70-A74 WeakPolarHBondContact O-CB 3.16Å; I70-A74 PolarHBondContact O-N 3.25Å |
| 71 | L | 48.7 | Very low | 46.8 | Very low | 139 Ų | 139 | 135.5 Ų | 135.5 | 73% | 0.728 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -66.6 | -37.5 | 174.6 | -116.3 | 116.3 | 0 | 0 | 0 | 111.8 | A74 S75 | L71-A74 PolarHBondContact O-N 3.44Å; L71-S75 PolarHBondContact O-N 3.2Å |
| 72 | G | 44.7 | Very low | 47.1 | Very low | 40 Ų | 40 | 129.9 Ų | 129.9 | 41% | 0.412 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -63.2 | -39.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | E68 I70 S75 M76 | E68-G72 PolarHBondContact O-N 3.19Å; I70-G72 VanDerWaalsContact C-N 3.35Å; G72-S75 PolarHBondContact O-N 3.3Å; G72-M76 PolarHBondContact O-N 2.99Å |
| 73 | L | 52.3 | Low | 47.2 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 56% | 0.56 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -71.5 | -39.4 | 176.2 | -76.3 | 166.6 | 0 | 0 | 0 | 112.3 | S69 I70 S75 M76 | S69-L73 WeakPolarHBondContact O-CB 2.88Å; S69-L73 WeakPolarHBondContact O-CG 3.38Å; S69-L73 PolarHBondContact O-N 3.42Å; I70-L73 PolarHBondContact O-N 2.96Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 2.82Å; L73-M76 PolarHBondContact O-N 2.91Å |
| 74 | A | 49.1 | Very low | 47.5 | Very low | 69 Ų | 69 | 122.9 Ų | 122.9 | 57% | 0.57 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -64.3 | -33 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | I70 L71 M76 | I70-A74 WeakPolarHBondContact O-CB 3.16Å; I70-A74 PolarHBondContact O-N 3.25Å; L71-A74 PolarHBondContact O-N 3.44Å; A74-M76 VanDerWaalsContact C-N 3.32Å; A74-M76 PolarHBondContact O-N 3.09Å |
| 75 | S | 51.9 | Low | 47.7 | Very low | 96 Ų | 96 | 114.5 Ų | 114.5 | 67% | 0.671 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -71.9 | -20.6 | 175.1 | -174.6 | 0 | 0 | 0 | 0 | 114.1 | L71 G72 L73 | L71-S75 PolarHBondContact O-N 3.2Å; G72-S75 PolarHBondContact O-N 3.3Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 2.82Å |
| 76 | M | 50.5 | Low | 48.3 | Very low | 156 Ų | 156 | 120.9 Ų | 120.9 | 77% | 0.768 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -83.4 | -27.9 | 178.7 | -85.9 | -157.6 | -174.1 | 0 | 0 | 113.6 | G72 L73 A74 | G72-M76 PolarHBondContact O-N 2.99Å; L73-M76 PolarHBondContact O-N 2.91Å; A74-M76 VanDerWaalsContact C-N 3.32Å; A74-M76 PolarHBondContact O-N 3.09Å |
| 77 | Y | 53.4 | Low | 48.4 | Very low | 209 Ų | 209 | 117.9 Ų | 117.9 | 82% | 0.82 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -94.4 | 0.6 | 178.9 | -74.4 | -84.1 | 0 | 0 | 0 | 113.7 | K79 | Y77-K79 VanDerWaalsContact C-N 3.32Å; Y77-K79 PolarHBondContact O-N 3.31Å |
| 78 | G | 45.9 | Very low | 48.7 | Very low | 67 Ų | 67 | 122.7 Ų | 122.7 | 69% | 0.691 | 67% | 0.674 | S | S | * | * | trans | -88.5 | 20.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 79 | K | 43.5 | Very low | 49.1 | Very low | 264 Ų | 264 | 119.8 Ų | 119.8 | 100% | 1.148 | 67% | 0.67 | S | S | * | * | trans | -136.5 | 0 | 179.3 | -131.7 | 178.2 | -174.6 | 173.4 | 0 | 112.7 | Y77 | Y77-K79 VanDerWaalsContact C-N 3.32Å; Y77-K79 PolarHBondContact O-N 3.31Å |
Retrieved 79 of 79 residues in 23.7 ms
(Link to these results)