| 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 | 53.2 | Low | 48.8 | Very low | 193 Ų | 193 | 112.6 Ų | 112.6 | 95% | 0.951 | 56% | 0.56 | S | S | * | * | 0 | -20.2 | 0 | -79.6 | -179.1 | 173.6 | 0 | 0 | 114.8 | |||||
| 2 | F | 38.8 | Very low | 49.8 | Very low | 163 Ų | 163 | 107.4 Ų | 107.4 | 72% | 0.715 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.2 | -44.1 | -178.5 | -167.8 | -100.1 | 0 | 0 | 0 | 113.3 | C4 R5 V6 | F2-C4 PolarHBondContact O-N 2.84Å; F2-R5 PolarHBondContact O-N 3.31Å; F2-V6 HydrophobicContact CD1-CG2 4.2Å; F2-V6 HydrophobicContact CE1-CG2 3.98Å; F2-V6 PolarHBondContact O-N 2.83Å |
| 3 | Y | 43.7 | Very low | 50.1 | Low | 190 Ų | 190 | 106.5 Ų | 106.5 | 75% | 0.745 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.2 | -34.3 | -177 | -59 | -72.5 | 0 | 0 | 0 | 114.5 | R5 V6 L7 | Y3-R5 PolarHBondContact O-N 2.82Å; Y3-V6 PolarHBondContact O-N 2.68Å; Y3-L7 WeakPolarHBondContact O-CG 3.35Å; Y3-L7 PolarHBondContact O-N 3.34Å |
| 4 | C | 40.1 | Very low | 50.9 | Low | 81 Ų | 81 | 107.2 Ų | 107.2 | 55% | 0.547 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 178.7 | -65.4 | 0 | 0 | 0 | 0 | 112.7 | F2 L7 I8 | F2-C4 PolarHBondContact O-N 2.84Å; C4-L7 PolarHBondContact O-N 3.4Å; C4-I8 WeakPolarHBondContact O-CG1 3.3Å; C4-I8 PolarHBondContact O-N 3.32Å |
| 5 | R | 40.6 | Very low | 51.3 | Low | 151 Ų | 151 | 105.8 Ų | 105.8 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.6 | -38.3 | 177.6 | -66.5 | -174.5 | 176.8 | -178.1 | -1.3 | 111.5 | F2 Y3 I8 I9 | F2-R5 PolarHBondContact O-N 3.31Å; Y3-R5 PolarHBondContact O-N 2.82Å; R5-I8 PolarHBondContact O-N 3.19Å; R5-I9 WeakPolarHBondContact O-CD1 3.49Å; R5-I9 VanDerWaalsContact O-CG1 3.28Å; R5-I9 WeakPolarHBondContact O-CG1 2.96Å; R5-I9 PolarHBondContact O-N 2.81Å; R5-I9 VanDerWaalsContact O-N 3.15Å |
| 6 | V | 48.5 | Very low | 51.6 | Low | 64 Ų | 64 | 103.7 Ų | 103.7 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 175.2 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | F2 Y3 I8 I9 T10 | F2-V6 HydrophobicContact CD1-CG2 4.2Å; F2-V6 HydrophobicContact CE1-CG2 3.98Å; F2-V6 PolarHBondContact O-N 2.83Å; Y3-V6 PolarHBondContact O-N 2.68Å; V6-I8 VanDerWaalsContact C-N 3.35Å; V6-I8 PolarHBondContact O-N 2.75Å; V6-I9 PolarHBondContact O-N 3.19Å; V6-T10 HydrophobicContact CG1-CG2 4.18Å; V6-T10 WeakPolarHBondContact O-CG2 3.43Å; V6-T10 PolarHBondContact O-N 3.45Å; V6-T10 PolarHBondContact O-OG1 3.28Å |
| 7 | L | 50.2 | Low | 51.6 | Low | 109 Ų | 109 | 105 Ų | 105 | 57% | 0.571 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.3 | -40.1 | 179 | -78.1 | 166.3 | 0 | 0 | 0 | 113.4 | Y3 C4 T10 S11 | Y3-L7 WeakPolarHBondContact O-CG 3.35Å; Y3-L7 PolarHBondContact O-N 3.34Å; C4-L7 PolarHBondContact O-N 3.4Å; L7-T10 VanDerWaalsContact CA-OG1 3.31Å; L7-T10 WeakPolarHBondContact CA-OG1 3.48Å; L7-T10 PolarHBondContact O-OG1 3.07Å; L7-S11 VanDerWaalsContact O-CB 3.29Å; L7-S11 WeakPolarHBondContact O-CB 2.99Å; L7-S11 PolarHBondContact O-N 3.21Å; L7-S11 PolarHBondContact O-OG 2.76Å |
| 8 | I | 55.3 | Low | 51.6 | Low | 80 Ų | 80 | 101.5 Ų | 101.5 | 41% | 0.41 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68 | -44.4 | 178.5 | -66.2 | 163.8 | 0 | 0 | 0 | 110.4 | C4 R5 V6 S11 F12 F78 | C4-I8 WeakPolarHBondContact O-CG1 3.3Å; C4-I8 PolarHBondContact O-N 3.32Å; R5-I8 PolarHBondContact O-N 3.19Å; V6-I8 VanDerWaalsContact C-N 3.35Å; V6-I8 PolarHBondContact O-N 2.75Å; I8-S11 PolarHBondContact O-N 2.85Å; I8-F12 WeakPolarHBondContact O-CB 2.95Å; I8-F12 PolarHBondContact O-N 2.83Å; I8-F78 HydrophobicContact CG2-CE2 4.12Å |
| 9 | I | 57.8 | Low | 51.3 | Low | 78 Ų | 78 | 97.4 Ų | 97.4 | 40% | 0.4 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 178.7 | -65.2 | 165.3 | 0 | 0 | 0 | 110.7 | R5 V6 S11 F12 M13 F82 | R5-I9 WeakPolarHBondContact O-CD1 3.49Å; R5-I9 VanDerWaalsContact O-CG1 3.28Å; R5-I9 WeakPolarHBondContact O-CG1 2.96Å; R5-I9 PolarHBondContact O-N 2.81Å; R5-I9 VanDerWaalsContact O-N 3.15Å; V6-I9 PolarHBondContact O-N 3.19Å; I9-S11 VanDerWaalsContact C-N 3.34Å; I9-S11 PolarHBondContact O-N 2.72Å; I9-F12 PolarHBondContact O-N 2.8Å; I9-M13 HydrophobicContact CG2-CG 4.35Å; I9-M13 WeakPolarHBondContact O-CB 3.49Å; I9-M13 VanDerWaalsContact O-CG 3.22Å; I9-M13 WeakPolarHBondContact O-CG 3.4Å; I9-M13 PolarHBondContact O-N 3.29Å; I9-F82 HydrophobicContact CG1-CZ 4.33Å |
| 10 | T | 54.2 | Low | 50.9 | Low | 59 Ų | 59 | 95 Ų | 95 | 36% | 0.362 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 177.8 | 50.5 | 0 | 0 | 0 | 0 | 111.6 | V6 L7 M13 I14 | V6-T10 HydrophobicContact CG1-CG2 4.18Å; V6-T10 WeakPolarHBondContact O-CG2 3.43Å; V6-T10 PolarHBondContact O-N 3.45Å; V6-T10 PolarHBondContact O-OG1 3.28Å; L7-T10 VanDerWaalsContact CA-OG1 3.31Å; L7-T10 WeakPolarHBondContact CA-OG1 3.48Å; L7-T10 PolarHBondContact O-OG1 3.07Å; T10-M13 PolarHBondContact O-N 3Å; T10-I14 WeakPolarHBondContact O-CD1 3.35Å; T10-I14 WeakPolarHBondContact O-CG1 2.97Å; T10-I14 PolarHBondContact O-N 3.38Å |
| 11 | S | 54 | Low | 50.5 | Low | 71 Ų | 71 | 97.4 Ų | 97.4 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66 | -40 | 178.2 | -57 | 0 | 0 | 0 | 0 | 111.6 | L7 I8 I9 I14 F15 | L7-S11 VanDerWaalsContact O-CB 3.29Å; L7-S11 WeakPolarHBondContact O-CB 2.99Å; L7-S11 PolarHBondContact O-N 3.21Å; L7-S11 PolarHBondContact O-OG 2.76Å; I8-S11 PolarHBondContact O-N 2.85Å; I9-S11 VanDerWaalsContact C-N 3.34Å; I9-S11 PolarHBondContact O-N 2.72Å; S11-I14 PolarHBondContact O-N 3.48Å; S11-F15 WeakPolarHBondContact O-CB 3.44Å; S11-F15 PolarHBondContact O-N 2.63Å |
| 12 | F | 61.6 | Low | 49.8 | Very low | 50 Ų | 50 | 92 Ų | 92 | 22% | 0.219 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -69.1 | -36.7 | 174.9 | -171.1 | -95.1 | 0 | 0 | 0 | 112.6 | I8 I9 F15 L16 F78 F82 | I8-F12 WeakPolarHBondContact O-CB 2.95Å; I8-F12 PolarHBondContact O-N 2.83Å; I9-F12 PolarHBondContact O-N 2.8Å; F12-F15 WeakPolarHBondContact O-CB 3.47Å; F12-F15 PolarHBondContact O-N 3.39Å; F12-L16 HydrophobicContact CD1-CD1 3.71Å; F12-L16 HydrophobicContact CD1-CG 4.05Å; F12-L16 HydrophobicContact CE1-CD1 3.41Å; F12-L16 VanDerWaalsContact CE1-CD1 3.41Å; F12-L16 HydrophobicContact CE1-CD2 4.33Å; F12-L16 HydrophobicContact CE1-CG 3.8Å; F12-L16 HydrophobicContact CZ-CD1 4.32Å; F12-L16 HydrophobicContact CZ-CD2 4.5Å; F12-L16 HydrophobicContact CZ-CG 4.33Å; F12-L16 WeakPolarHBondContact O-CB 3.47Å; F12-L16 WeakPolarHBondContact O-CG 3.04Å; F12-L16 PolarHBondContact O-N 3.01Å; F12-F78 HydrophobicContact CB-CZ 4.47Å; F12-F78 AromaticContact CD2-CE1 3.68Å; F12-F78 HydrophobicContact CD2-CE1 3.68Å; F12-F78 AromaticContact CD2-CZ 3.71Å; F12-F78 HydrophobicContact CD2-CZ 3.71Å; F12-F78 AromaticContact CE2-CE1 3.56Å; F12-F78 HydrophobicContact CE2-CE1 3.56Å; F12-F78 HydrophobicContact CE2-CZ 4.1Å; F12-F78 HydrophobicContact CG-CE1 4.33Å; F12-F78 HydrophobicContact CG-CZ 4.1Å; F12-F78 HydrophobicContact CZ-CE1 4.09Å; F12-F82 HydrophobicContact CB-CE1 4.09Å; F12-F82 HydrophobicContact CB-CE2 4.45Å; F12-F82 HydrophobicContact CB-CZ 3.76Å; F12-F82 AromaticContact CD1-CD1 3.23Å; F12-F82 HydrophobicContact CD1-CD1 3.23Å; F12-F82 HydrophobicContact CD1-CD2 4.06Å; F12-F82 AromaticContact CD1-CE1 3.04Å; F12-F82 HydrophobicContact CD1-CE1 3.04Å; F12-F82 AromaticContact CD1-CE2 3.92Å; F12-F82 HydrophobicContact CD1-CE2 3.92Å; F12-F82 AromaticContact CD1-CG 3.74Å; F12-F82 HydrophobicContact CD1-CG 3.74Å; F12-F82 AromaticContact CD1-CZ 3.41Å; F12-F82 HydrophobicContact CD1-CZ 3.41Å; F12-F82 VanDerWaalsContact CD1-CZ 3.41Å; F12-F82 HydrophobicContact CE1-CB 3.92Å; F12-F82 AromaticContact CE1-CD1 3.2Å; F12-F82 HydrophobicContact CE1-CD1 3.2Å; F12-F82 AromaticContact CE1-CD2 3.9Å; F12-F82 HydrophobicContact CE1-CD2 3.9Å; F12-F82 AromaticContact CE1-CE1 3.6Å; F12-F82 HydrophobicContact CE1-CE1 3.6Å; F12-F82 HydrophobicContact CE1-CE2 4.24Å; F12-F82 AromaticContact CE1-CG 3.37Å; F12-F82 HydrophobicContact CE1-CG 3.37Å; F12-F82 HydrophobicContact CE1-CZ 4.09Å; F12-F82 HydrophobicContact CG-CD1 4.29Å; F12-F82 AromaticContact CG-CE1 3.82Å; F12-F82 HydrophobicContact CG-CE1 3.82Å; F12-F82 HydrophobicContact CG-CE2 4.1Å; F12-F82 AromaticContact CG-CZ 3.7Å; F12-F82 HydrophobicContact CG-CZ 3.7Å; F12-F82 HydrophobicContact CZ-CB 4.41Å; F12-F82 HydrophobicContact CZ-CD1 4.31Å; F12-F82 HydrophobicContact CZ-CD2 4.33Å; F12-F82 HydrophobicContact CZ-CG 4.08Å |
| 13 | M | 53.7 | Low | 49.8 | Very low | 95 Ų | 95 | 89.5 Ų | 89.5 | 47% | 0.468 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | 173.9 | -73.3 | -72.7 | 142.1 | 0 | 0 | 112.1 | I9 T10 L16 L17 F82 | I9-M13 HydrophobicContact CG2-CG 4.35Å; I9-M13 WeakPolarHBondContact O-CB 3.49Å; I9-M13 VanDerWaalsContact O-CG 3.22Å; I9-M13 WeakPolarHBondContact O-CG 3.4Å; I9-M13 PolarHBondContact O-N 3.29Å; T10-M13 PolarHBondContact O-N 3Å; M13-L16 HydrophobicContact CE-CD1 4.12Å; M13-L16 PolarHBondContact O-N 3.43Å; M13-L16 HydrophobicContact SD-CD1 4.46Å; M13-L17 WeakPolarHBondContact O-CB 3.44Å; M13-L17 PolarHBondContact O-N 2.97Å; M13-F82 HydrophobicContact CE-CD1 3.74Å; M13-F82 HydrophobicContact CE-CE1 3.58Å |
| 14 | I | 60.6 | Low | 49.8 | Very low | 117 Ų | 117 | 85.4 Ų | 85.4 | 60% | 0.6 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.2 | -42 | 173.2 | -68.5 | 162.2 | 0 | 0 | 0 | 110.4 | T10 S11 L17 G18 | T10-I14 WeakPolarHBondContact O-CD1 3.35Å; T10-I14 WeakPolarHBondContact O-CG1 2.97Å; T10-I14 PolarHBondContact O-N 3.38Å; S11-I14 PolarHBondContact O-N 3.48Å; I14-L17 PolarHBondContact O-N 2.86Å; I14-G18 PolarHBondContact O-N 3.27Å |
| 15 | F | 57.2 | Low | 50 | Low | 86 Ų | 86 | 88 Ų | 88 | 38% | 0.377 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 173.7 | -178.2 | -95.4 | 0 | 0 | 0 | 110.8 | S11 F12 L17 G18 T19 | S11-F15 WeakPolarHBondContact O-CB 3.44Å; S11-F15 PolarHBondContact O-N 2.63Å; F12-F15 WeakPolarHBondContact O-CB 3.47Å; F12-F15 PolarHBondContact O-N 3.39Å; F15-L17 PolarHBondContact O-N 3.34Å; F15-G18 PolarHBondContact O-N 3.15Å; F15-T19 HydrophobicContact CD1-CG2 4.18Å; F15-T19 HydrophobicContact CE1-CG2 3.82Å; F15-T19 HydrophobicContact CE2-CG2 4.36Å; F15-T19 HydrophobicContact CZ-CG2 3.91Å; F15-T19 WeakPolarHBondContact O-CB 3.42Å; F15-T19 WeakPolarHBondContact O-CG2 3.31Å; F15-T19 PolarHBondContact O-N 2.67Å; F15-T19 PolarHBondContact O-OG1 3.37Å |
| 16 | L | 55.5 | Low | 50 | Low | 72 Ų | 72 | 85.2 Ų | 85.2 | 38% | 0.377 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 174.8 | -77.6 | 177.4 | 0 | 0 | 0 | 112.6 | F12 M13 G18 T19 A20 | F12-L16 HydrophobicContact CD1-CD1 3.71Å; F12-L16 HydrophobicContact CD1-CG 4.05Å; F12-L16 HydrophobicContact CE1-CD1 3.41Å; F12-L16 VanDerWaalsContact CE1-CD1 3.41Å; F12-L16 HydrophobicContact CE1-CD2 4.33Å; F12-L16 HydrophobicContact CE1-CG 3.8Å; F12-L16 HydrophobicContact CZ-CD1 4.32Å; F12-L16 HydrophobicContact CZ-CD2 4.5Å; F12-L16 HydrophobicContact CZ-CG 4.33Å; F12-L16 WeakPolarHBondContact O-CB 3.47Å; F12-L16 WeakPolarHBondContact O-CG 3.04Å; F12-L16 PolarHBondContact O-N 3.01Å; M13-L16 HydrophobicContact CE-CD1 4.12Å; M13-L16 PolarHBondContact O-N 3.43Å; M13-L16 HydrophobicContact SD-CD1 4.46Å; L16-G18 VanDerWaalsContact C-N 3.34Å; L16-T19 WeakPolarHBondContact CA-OG1 3.37Å; L16-T19 CarbonylContact O-C 3.53Å; L16-T19 PolarHBondContact O-N 2.98Å; L16-T19 PolarHBondContact O-OG1 3.46Å; L16-A20 WeakPolarHBondContact O-CB 3.29Å; L16-A20 PolarHBondContact O-N 3.42Å |
| 17 | L | 52.3 | Low | 49.9 | Very low | 126 Ų | 126 | 84 Ų | 84 | 66% | 0.66 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.1 | -35.8 | 178.2 | -149.1 | 80.2 | 0 | 0 | 0 | 111.9 | M13 I14 F15 A20 | M13-L17 WeakPolarHBondContact O-CB 3.44Å; M13-L17 PolarHBondContact O-N 2.97Å; I14-L17 PolarHBondContact O-N 2.86Å; F15-L17 PolarHBondContact O-N 3.34Å; L17-A20 PolarHBondContact O-N 2.95Å |
| 18 | G | 50.9 | Low | 49.5 | Very low | 42 Ų | 42 | 83.2 Ų | 83.2 | 43% | 0.433 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.6 | -43.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | I14 F15 L16 A20 | I14-G18 PolarHBondContact O-N 3.27Å; F15-G18 PolarHBondContact O-N 3.15Å; L16-G18 VanDerWaalsContact C-N 3.34Å; G18-A20 VanDerWaalsContact C-N 3.33Å |
| 19 | T | 47 | Very low | 48.7 | Very low | 23 Ų | 23 | 82.4 Ų | 82.4 | 14% | 0.141 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -73.6 | -20.8 | 174.6 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | F15 L16 N21 C22 V27 | F15-T19 HydrophobicContact CD1-CG2 4.18Å; F15-T19 HydrophobicContact CE1-CG2 3.82Å; F15-T19 HydrophobicContact CE2-CG2 4.36Å; F15-T19 HydrophobicContact CZ-CG2 3.91Å; F15-T19 WeakPolarHBondContact O-CB 3.42Å; F15-T19 WeakPolarHBondContact O-CG2 3.31Å; F15-T19 PolarHBondContact O-N 2.67Å; F15-T19 PolarHBondContact O-OG1 3.37Å; L16-T19 WeakPolarHBondContact CA-OG1 3.37Å; L16-T19 CarbonylContact O-C 3.53Å; L16-T19 PolarHBondContact O-N 2.98Å; L16-T19 PolarHBondContact O-OG1 3.46Å; T19-N21 VanDerWaalsContact C-N 3.31Å; T19-C22 CarbonylContact O-C 3.58Å; T19-C22 PolarHBondContact O-N 3.1Å; T19-V27 HydrophobicContact CG2-CG1 4.2Å; T19-V27 HydrophobicContact CG2-CG2 3.91Å |
| 20 | A | 42.7 | Very low | 48.1 | Very low | 50 Ų | 50 | 84.7 Ų | 84.7 | 41% | 0.413 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -73.4 | -25.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L16 L17 G18 I24 | L16-A20 WeakPolarHBondContact O-CB 3.29Å; L16-A20 PolarHBondContact O-N 3.42Å; L17-A20 PolarHBondContact O-N 2.95Å; G18-A20 VanDerWaalsContact C-N 3.33Å; A20-I24 HydrophobicContact CB-CD1 4.4Å |
| 21 | N | 42.7 | Very low | 47.5 | Very low | 146 Ų | 146 | 86.5 Ų | 86.5 | 78% | 0.781 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -87.3 | -13.3 | 174.2 | -71.4 | -17.1 | 0 | 0 | 0 | 113.2 | T19 | T19-N21 VanDerWaalsContact C-N 3.31Š|
| 22 | C | 39.3 | Very low | 47.1 | Very low | 78 Ų | 78 | 90.5 Ų | 90.5 | 53% | 0.527 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -123.9 | 91.4 | -177.4 | -61.9 | 0 | 0 | 0 | 0 | 108.2 | T19 I24 | T19-C22 CarbonylContact O-C 3.58Å; T19-C22 PolarHBondContact O-N 3.1Å; C22-I24 PolarHBondContact O-N 3.03Å |
| 23 | D | 37 | Very low | 46.1 | Very low | 112 Ų | 112 | 90.9 Ų | 90.9 | 60% | 0.599 | 51% | 0.509 | S | S | * | . | trans | 50 | 66.2 | 161.4 | -60.3 | -57.4 | 0 | 0 | 0 | 114.5 | I25 D26 V27 | D23-I25 CarbonylContact O-C 3.59Å; D23-I25 PolarHBondContact O-N 2.93Å; D23-D26 HydrophobicContact CB-CB 3.73Å; D23-D26 WeakPolarHBondContact O-CA 3.28Å; D23-D26 PolarHBondContact O-N 3.2Å; D23-V27 PolarHBondContact O-N 3.47Å | ||
| 24 | I | 44.7 | Very low | 45.5 | Very low | 103 Ų | 103 | 90.1 Ų | 90.1 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -44.5 | -30.8 | 170.7 | -69.9 | 169.2 | 0 | 0 | 0 | 111.6 | A20 C22 L28 | A20-I24 HydrophobicContact CB-CD1 4.4Å; C22-I24 PolarHBondContact O-N 3.03Å; I24-L28 WeakPolarHBondContact O-CB 3.48Å; I24-L28 PolarHBondContact O-N 3.2Å |
| 25 | I | 43.7 | Very low | 44.5 | Very low | 135 Ų | 135 | 92.1 Ų | 92.1 | 69% | 0.692 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.9 | -41.3 | 175.7 | -63.7 | 171.7 | 0 | 0 | 0 | 112.3 | D23 V27 L28 S29 | D23-I25 CarbonylContact O-C 3.59Å; D23-I25 PolarHBondContact O-N 2.93Å; I25-V27 VanDerWaalsContact C-N 3.34Å; I25-L28 PolarHBondContact O-N 3.43Å; I25-S29 VanDerWaalsContact O-CB 3.22Å; I25-S29 WeakPolarHBondContact O-CB 3.45Å; I25-S29 PolarHBondContact O-N 3.35Å; I25-S29 PolarHBondContact O-OG 2.88Å |
| 26 | D | 41 | Very low | 43.7 | Very low | 94 Ų | 94 | 90.8 Ų | 90.8 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.7 | -37.2 | 173.5 | -95.9 | -22 | 0 | 0 | 0 | 111.3 | D23 S29 L30 | D23-D26 HydrophobicContact CB-CB 3.73Å; D23-D26 WeakPolarHBondContact O-CA 3.28Å; D23-D26 PolarHBondContact O-N 3.2Å; D26-S29 CarbonylContact O-C 3.57Å; D26-S29 PolarHBondContact O-N 3.14Å; D26-L30 WeakPolarHBondContact O-CB 3.27Å; D26-L30 VanDerWaalsContact O-CD1 3.24Å; D26-L30 WeakPolarHBondContact O-CD1 3.33Å; D26-L30 PolarHBondContact O-N 3.43Å |
| 27 | V | 45.4 | Very low | 42.9 | Very low | 37 Ų | 37 | 93.2 Ų | 93.2 | 22% | 0.224 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -66.5 | -41.5 | 176.9 | 178.7 | 0 | 0 | 0 | 0 | 110.4 | T19 D23 I25 L30 L31 | T19-V27 HydrophobicContact CG2-CG1 4.2Å; T19-V27 HydrophobicContact CG2-CG2 3.91Å; D23-V27 PolarHBondContact O-N 3.47Å; I25-V27 VanDerWaalsContact C-N 3.34Å; V27-L30 PolarHBondContact O-N 3.38Å; V27-L31 HydrophobicContact CG1-CD1 3.86Å; V27-L31 WeakPolarHBondContact O-CB 3.35Å; V27-L31 WeakPolarHBondContact O-CD1 3.31Å; V27-L31 PolarHBondContact O-N 3.05Å |
| 28 | L | 42.4 | Very low | 42.4 | Very low | 94 Ų | 94 | 96.8 Ų | 96.8 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.3 | -37.8 | 170.8 | -120.5 | 79.7 | 0 | 0 | 0 | 112.5 | I24 I25 L30 L31 F32 | I24-L28 WeakPolarHBondContact O-CB 3.48Å; I24-L28 PolarHBondContact O-N 3.2Å; I25-L28 PolarHBondContact O-N 3.43Å; L28-L30 VanDerWaalsContact C-N 3.3Å; L28-L31 PolarHBondContact O-N 3.13Å; L28-F32 HydrophobicContact CG-CD2 4.15Å; L28-F32 HydrophobicContact CG-CE2 4.28Å; L28-F32 WeakPolarHBondContact O-CD2 3.16Å; L28-F32 PolarHBondContact O-N 2.72Å |
| 29 | S | 39.5 | Very low | 42.2 | Very low | 62 Ų | 62 | 100.8 Ų | 100.8 | 43% | 0.434 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68 | -31.6 | 177.5 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | I25 D26 G33 | I25-S29 VanDerWaalsContact O-CB 3.22Å; I25-S29 WeakPolarHBondContact O-CB 3.45Å; I25-S29 PolarHBondContact O-N 3.35Å; I25-S29 PolarHBondContact O-OG 2.88Å; D26-S29 CarbonylContact O-C 3.57Å; D26-S29 PolarHBondContact O-N 3.14Å; S29-G33 WeakPolarHBondContact O-CA 3.21Å; S29-G33 PolarHBondContact O-N 2.85Å |
| 30 | L | 43.5 | Very low | 42.2 | Very low | 126 Ų | 126 | 107 Ų | 107 | 66% | 0.66 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74 | -37.3 | 169.8 | -97.8 | 111.2 | 0 | 0 | 0 | 112.2 | D26 V27 L28 | D26-L30 WeakPolarHBondContact O-CB 3.27Å; D26-L30 VanDerWaalsContact O-CD1 3.24Å; D26-L30 WeakPolarHBondContact O-CD1 3.33Å; D26-L30 PolarHBondContact O-N 3.43Å; V27-L30 PolarHBondContact O-N 3.38Å; L28-L30 VanDerWaalsContact C-N 3.3Å |
| 31 | L | 43 | Very low | 42.1 | Very low | 97 Ų | 97 | 113.3 Ų | 113.3 | 51% | 0.508 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.9 | -30.3 | 178.9 | -101.3 | 114.3 | 0 | 0 | 0 | 113.9 | V27 L28 | V27-L31 HydrophobicContact CG1-CD1 3.86Å; V27-L31 WeakPolarHBondContact O-CB 3.35Å; V27-L31 WeakPolarHBondContact O-CD1 3.31Å; V27-L31 PolarHBondContact O-N 3.05Å; L28-L31 PolarHBondContact O-N 3.13Å |
| 32 | F | 45.7 | Very low | 42.3 | Very low | 156 Ų | 156 | 115.9 Ų | 115.9 | 68% | 0.684 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -119.8 | -8.9 | -176 | -68 | -79.8 | 0 | 0 | 0 | 114.7 | L28 G34 | L28-F32 HydrophobicContact CG-CD2 4.15Å; L28-F32 HydrophobicContact CG-CE2 4.28Å; L28-F32 WeakPolarHBondContact O-CD2 3.16Å; L28-F32 PolarHBondContact O-N 2.72Å; F32-G34 PolarHBondContact O-N 2.95Å; F32-G34 VanDerWaalsContact O-N 3.16Å |
| 33 | G | 40.4 | Very low | 42.3 | Very low | 57 Ų | 57 | 119 Ų | 119 | 59% | 0.588 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 18 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | S29 | S29-G33 WeakPolarHBondContact O-CA 3.21Å; S29-G33 PolarHBondContact O-N 2.85Å |
| 34 | G | 41.5 | Very low | 42.8 | Very low | 80 Ų | 80 | 125 Ų | 125 | 83% | 0.825 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 0.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | F32 | F32-G34 PolarHBondContact O-N 2.95Å; F32-G34 VanDerWaalsContact O-N 3.16Å |
| 35 | N | 39.3 | Very low | 42.6 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 85% | 0.845 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -109.5 | 70.5 | 173.3 | -158.8 | 7.8 | 0 | 0 | 0 | 110.5 | N37 | N35-N37 PolarHBondContact O-N 2.89Š|
| 36 | G | 40 | Very low | 42.4 | Very low | 58 Ų | 58 | 132.5 Ų | 132.5 | 60% | 0.598 | 68% | 0.676 | S | S | * | * | trans | -61.2 | 101.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K38 | G36-K38 PolarHBondContact O-N 3.32Å; G36-K38 VanDerWaalsContact O-N 3.1Å | ||
| 37 | N | 39.8 | Very low | 42 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 66% | 0.658 | 70% | 0.695 | S | S | * | * | trans | -41.1 | 115.2 | 158.3 | -176.7 | 5.1 | 0 | 0 | 0 | 109.5 | N35 N39 | N35-N37 PolarHBondContact O-N 2.89Å; N37-N39 PolarHBondContact O-N 3.38Å | ||
| 38 | K | 41.5 | Very low | 41.7 | Very low | 202 Ų | 202 | 133.8 Ų | 133.8 | 88% | 0.878 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 18.9 | -168.1 | -65.8 | 178.5 | 179 | 176.6 | 0 | 115.2 | G36 | G36-K38 PolarHBondContact O-N 3.32Å; G36-K38 VanDerWaalsContact O-N 3.1Å |
| 39 | N | 45.6 | Very low | 41.7 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 67% | 0.674 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | 3.5 | -172.7 | -82.6 | -4.9 | 0 | 0 | 0 | 115.3 | N37 R41 | N37-N39 PolarHBondContact O-N 3.38Å; N39-R41 PolarHBondContact O-N 2.93Å |
| 40 | I | 47.2 | Very low | 41.9 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -82 | 71.7 | 169.4 | -55.3 | 177.6 | 0 | 0 | 0 | 108.5 | R42 | I40-R42 PolarHBondContact O-N 3.43Š| ||
| 41 | R | 41.7 | Very low | 41.8 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | trans | -57.2 | 120.2 | 170 | -78 | 176.6 | 164.2 | -154 | -2.2 | 108.9 | N39 | N39-R41 PolarHBondContact O-N 2.93Š| ||
| 42 | R | 45.4 | Very low | 41.7 | Very low | 200 Ų | 200 | 133.5 Ų | 133.5 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 63 | 73 | 140.3 | -52.1 | 173.5 | -148.3 | 172 | 0.9 | 116.1 | I40 | I40-R42 PolarHBondContact O-N 3.43Š|
| 43 | N | 40.3 | Very low | 41.8 | Very low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | -170.7 | 69.8 | 144.7 | -157.6 | 13.6 | 0 | 0 | 0 | 114.7 | ||||
| 44 | R | 48.3 | Very low | 42 | Very low | 238 Ų | 238 | 130.4 Ų | 130.4 | 90% | 0.898 | 73% | 0.725 | S | S | * | * | trans | -145.6 | 73.2 | 161.1 | -79.2 | -167.8 | -85.2 | -179.7 | -2.7 | 109.5 | ||||
| 45 | N | 39.8 | Very low | 42.2 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 80% | 0.802 | 71% | 0.714 | S | S | * | * | trans | -58.2 | 139.8 | 161.7 | -74.4 | -24.1 | 0 | 0 | 0 | 108.8 | ||||
| 46 | R | 39.8 | Very low | 42.7 | Very low | 245 Ų | 245 | 129.1 Ų | 129.1 | 93% | 0.925 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 76.7 | 105 | 175.9 | -69.3 | 177.7 | 167.9 | 147.8 | -3 | 116.3 | ||
| 47 | G | 31.8 | Very low | 43.3 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 90% | 0.897 | 68% | 0.681 | S | S | * | * | 66.1 | 117.3 | 113.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 48 | G | 39.5 | Very low | 44 | Very low | 71 Ų | 71 | 127.2 Ų | 127.2 | 73% | 0.732 | 67% | 0.673 | S | S | * | * | trans | 160.4 | 101.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S50 | G48-S50 PolarHBondContact O-N 3.49Š| ||
| 49 | D | 41.8 | Very low | 44.3 | Very low | 168 Ų | 168 | 120.6 Ų | 120.6 | 90% | 0.898 | 65% | 0.652 | S | S | * | * | trans | -48 | 100.9 | 178.1 | -72 | -48.3 | 0 | 0 | 0 | 113.3 | G51 | D49-G51 PolarHBondContact O-N 2.89Š| ||
| 50 | S | 43 | Very low | 44.5 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 87% | 0.867 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 43 | 168.4 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | G48 | G48-S50 PolarHBondContact O-N 3.49Š|
| 51 | G | 42.9 | Very low | 44.6 | Very low | 24 Ų | 24 | 114.6 Ų | 114.6 | 25% | 0.247 | 62% | 0.617 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -96.8 | -14.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D49 L53 S54 D55 | D49-G51 PolarHBondContact O-N 2.89Å; G51-L53 PolarHBondContact O-N 2.84Å; G51-S54 PolarHBondContact O-OG 3.24Å; G51-S54 VanDerWaalsContact O-OG 3.1Å; G51-D55 VanDerWaalsContact O-CB 3.27Å; G51-D55 WeakPolarHBondContact O-CB 3.22Å; G51-D55 PolarHBondContact O-N 3.34Å |
| 52 | G | 41.1 | Very low | 44.9 | Very low | 57 Ų | 57 | 111.7 Ų | 111.7 | 59% | 0.588 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.8 | -29.1 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | F56 | G52-F56 WeakPolarHBondContact O-CB 3.41Å; G52-F56 PolarHBondContact O-N 3.03Å |
| 53 | L | 46.2 | Very low | 44.9 | Very low | 81 Ų | 81 | 112.9 Ų | 112.9 | 42% | 0.424 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -96.7 | -31 | -175.2 | -149.2 | 144.3 | 0 | 0 | 0 | 112.5 | G51 F56 L57 | G51-L53 PolarHBondContact O-N 2.84Å; L53-F56 PolarHBondContact O-N 3.16Å; L53-L57 HydrophobicContact CD2-CD1 3.69Å; L53-L57 HydrophobicContact CD2-CG 4.08Å; L53-L57 WeakPolarHBondContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 2.85Å |
| 54 | S | 45.4 | Very low | 45.2 | Very low | 67 Ų | 67 | 109.6 Ų | 109.6 | 47% | 0.469 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.9 | -39 | 166.3 | 55.4 | 0 | 0 | 0 | 0 | 110.7 | G51 T58 | G51-S54 PolarHBondContact O-OG 3.24Å; G51-S54 VanDerWaalsContact O-OG 3.1Å; S54-T58 WeakPolarHBondContact O-CA 3.44Å; S54-T58 WeakPolarHBondContact O-CB 3.43Å; S54-T58 PolarHBondContact O-N 3.35Å; S54-T58 PolarHBondContact O-OG1 3.35Å |
| 55 | D | 46.7 | Very low | 44.9 | Very low | 110 Ų | 110 | 100.3 Ų | 100.3 | 59% | 0.588 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71 | -32.8 | 173.8 | -77.9 | -13.6 | 0 | 0 | 0 | 112 | G51 S59 | G51-D55 VanDerWaalsContact O-CB 3.27Å; G51-D55 WeakPolarHBondContact O-CB 3.22Å; G51-D55 PolarHBondContact O-N 3.34Å; D55-S59 WeakPolarHBondContact O-CA 3.47Å; D55-S59 WeakPolarHBondContact O-CB 3.33Å; D55-S59 PolarHBondContact O-N 3.28Å |
| 56 | F | 49.5 | Very low | 44.9 | Very low | 101 Ų | 101 | 101.5 Ų | 101.5 | 44% | 0.443 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.1 | -43.5 | 173.3 | 176.9 | -104 | 0 | 0 | 0 | 112.6 | G52 L53 S59 L60 | G52-F56 WeakPolarHBondContact O-CB 3.41Å; G52-F56 PolarHBondContact O-N 3.03Å; L53-F56 PolarHBondContact O-N 3.16Å; F56-S59 CarbonylContact O-C 3.53Å; F56-S59 WeakPolarHBondContact O-CB 3.4Å; F56-S59 PolarHBondContact O-N 3.1Å; F56-L60 HydrophobicContact CD1-CD1 4.11Å; F56-L60 HydrophobicContact CD2-CD1 4.37Å; F56-L60 HydrophobicContact CE1-CD1 3.49Å; F56-L60 VanDerWaalsContact CE1-CD1 3.49Å; F56-L60 HydrophobicContact CE2-CD1 3.78Å; F56-L60 HydrophobicContact CZ-CD1 3.3Å; F56-L60 WeakPolarHBondContact O-CB 3.34Å; F56-L60 PolarHBondContact O-N 2.85Å |
| 57 | L | 51.3 | Low | 44.8 | Very low | 60 Ų | 60 | 92.8 Ų | 92.8 | 31% | 0.314 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.5 | -43 | 175.8 | -72.8 | 173.6 | 0 | 0 | 0 | 110.8 | L53 S59 L60 F61 F75 | L53-L57 HydrophobicContact CD2-CD1 3.69Å; L53-L57 HydrophobicContact CD2-CG 4.08Å; L53-L57 WeakPolarHBondContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.44Å; L53-L57 PolarHBondContact O-N 2.85Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-S59 PolarHBondContact O-N 2.82Å; L57-L60 CarbonylContact O-C 3.38Å; L57-L60 WeakPolarHBondContact O-CB 3.21Å; L57-L60 PolarHBondContact O-N 3.4Å; L57-L60 VanDerWaalsContact O-N 3.07Å; L57-F61 HydrophobicContact CB-CD2 4.4Å; L57-F61 HydrophobicContact CB-CE2 4.37Å; L57-F61 HydrophobicContact CD2-CE2 4.42Å; L57-F61 WeakPolarHBondContact O-CD2 3.48Å; L57-F61 PolarHBondContact O-N 2.83Å; L57-F75 HydrophobicContact CD1-CE2 4.35Å |
| 58 | T | 54.2 | Low | 45.1 | Very low | 80 Ų | 80 | 95.5 Ų | 95.5 | 49% | 0.491 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61 | -43.4 | 172.8 | -58.1 | 0 | 0 | 0 | 0 | 109.4 | S54 L60 F61 D62 | S54-T58 WeakPolarHBondContact O-CA 3.44Å; S54-T58 WeakPolarHBondContact O-CB 3.43Å; S54-T58 PolarHBondContact O-N 3.35Å; S54-T58 PolarHBondContact O-OG1 3.35Å; T58-L60 VanDerWaalsContact C-N 3.33Å; T58-L60 PolarHBondContact O-N 3.01Å; T58-F61 CarbonylContact O-C 3.54Å; T58-F61 PolarHBondContact O-N 3.44Å; T58-D62 WeakPolarHBondContact O-CA 3.21Å; T58-D62 WeakPolarHBondContact O-CB 3.38Å; T58-D62 PolarHBondContact O-N 2.69Å |
| 59 | S | 49.3 | Very low | 44.9 | Very low | 63 Ų | 63 | 104.5 Ų | 104.5 | 44% | 0.441 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.6 | -39 | 171.3 | 169.3 | 0 | 0 | 0 | 0 | 112.3 | D55 F56 L57 W63 | D55-S59 WeakPolarHBondContact O-CA 3.47Å; D55-S59 WeakPolarHBondContact O-CB 3.33Å; D55-S59 PolarHBondContact O-N 3.28Å; F56-S59 CarbonylContact O-C 3.53Å; F56-S59 WeakPolarHBondContact O-CB 3.4Å; F56-S59 PolarHBondContact O-N 3.1Å; L57-S59 VanDerWaalsContact C-N 3.31Å; L57-S59 PolarHBondContact O-N 2.82Å; S59-W63 WeakPolarHBondContact O-CA 3.5Å; S59-W63 WeakPolarHBondContact O-CB 3.24Å; S59-W63 PolarHBondContact O-N 2.94Å |
| 60 | L | 50.2 | Low | 44.8 | Very low | 63 Ų | 63 | 100.2 Ų | 100.2 | 33% | 0.33 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.7 | -33 | 176.7 | -122 | 114.7 | 0 | 0 | 0 | 112.7 | F56 L57 T58 N64 | F56-L60 HydrophobicContact CD1-CD1 4.11Å; F56-L60 HydrophobicContact CD2-CD1 4.37Å; F56-L60 HydrophobicContact CE1-CD1 3.49Å; F56-L60 VanDerWaalsContact CE1-CD1 3.49Å; F56-L60 HydrophobicContact CE2-CD1 3.78Å; F56-L60 HydrophobicContact CZ-CD1 3.3Å; F56-L60 WeakPolarHBondContact O-CB 3.34Å; F56-L60 PolarHBondContact O-N 2.85Å; L57-L60 CarbonylContact O-C 3.38Å; L57-L60 WeakPolarHBondContact O-CB 3.21Å; L57-L60 PolarHBondContact O-N 3.4Å; L57-L60 VanDerWaalsContact O-N 3.07Å; T58-L60 VanDerWaalsContact C-N 3.33Å; T58-L60 PolarHBondContact O-N 3.01Å; L60-N64 PolarHBondContact O-ND2 2.88Å |
| 61 | F | 49.4 | Very low | 44.8 | Very low | 90 Ų | 90 | 97.5 Ų | 97.5 | 40% | 0.395 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -84.6 | -33.1 | 178.1 | -72.5 | -65.4 | 0 | 0 | 0 | 112.4 | L57 T58 N64 F75 | L57-F61 HydrophobicContact CB-CD2 4.4Å; L57-F61 HydrophobicContact CB-CE2 4.37Å; L57-F61 HydrophobicContact CD2-CE2 4.42Å; L57-F61 WeakPolarHBondContact O-CD2 3.48Å; L57-F61 PolarHBondContact O-N 2.83Å; T58-F61 CarbonylContact O-C 3.54Å; T58-F61 PolarHBondContact O-N 3.44Å; F61-N64 WeakPolarHBondContact O-CB 3.35Å; F61-N64 PolarHBondContact O-N 3.23Å; F61-F75 AromaticContact CE2-CD2 3.84Å; F61-F75 HydrophobicContact CE2-CD2 3.84Å; F61-F75 HydrophobicContact CZ-CB 4.32Å; F61-F75 AromaticContact CZ-CD2 3.83Å; F61-F75 HydrophobicContact CZ-CD2 3.83Å |
| 62 | D | 47.9 | Very low | 45 | Very low | 123 Ų | 123 | 99.6 Ų | 99.6 | 66% | 0.658 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -81.2 | -30.4 | 178.8 | -157.5 | 38.6 | 0 | 0 | 0 | 111.2 | T58 N64 G65 | T58-D62 WeakPolarHBondContact O-CA 3.21Å; T58-D62 WeakPolarHBondContact O-CB 3.38Å; T58-D62 PolarHBondContact O-N 2.69Å; D62-N64 PolarHBondContact O-N 3.42Å; D62-G65 VanDerWaalsContact O-CA 3.3Å; D62-G65 WeakPolarHBondContact O-CA 3.39Å; D62-G65 PolarHBondContact O-N 2.77Å |
| 63 | W | 45.2 | Very low | 45.3 | Very low | 224 Ų | 224 | 102.7 Ų | 102.7 | 85% | 0.848 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -22.6 | 166.2 | -169.8 | -69.6 | 0 | 0 | 0 | 112.3 | S59 G65 | S59-W63 WeakPolarHBondContact O-CA 3.5Å; S59-W63 WeakPolarHBondContact O-CB 3.24Å; S59-W63 PolarHBondContact O-N 2.94Å; W63-G65 VanDerWaalsContact C-N 3.27Å |
| 64 | N | 45.7 | Very low | 45.5 | Very low | 76 Ų | 76 | 103.8 Ų | 103.8 | 41% | 0.406 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85 | 1.7 | 168 | -77.7 | -59.3 | 0 | 0 | 0 | 113 | L60 F61 D62 | L60-N64 PolarHBondContact O-ND2 2.88Å; F61-N64 WeakPolarHBondContact O-CB 3.35Å; F61-N64 PolarHBondContact O-N 3.23Å; D62-N64 PolarHBondContact O-N 3.42Å |
| 65 | G | 42 | Very low | 45.6 | Very low | 43 Ų | 43 | 104.9 Ų | 104.9 | 44% | 0.443 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.2 | -9.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | D62 W63 | D62-G65 VanDerWaalsContact O-CA 3.3Å; D62-G65 WeakPolarHBondContact O-CA 3.39Å; D62-G65 PolarHBondContact O-N 2.77Å; W63-G65 VanDerWaalsContact C-N 3.27Å |
| 66 | D | 40.2 | Very low | 45.8 | Very low | 175 Ų | 175 | 107.8 Ų | 107.8 | 94% | 0.936 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 18.2 | -177.6 | -110.3 | -11.4 | 0 | 0 | 0 | 114.9 | ||
| 67 | G | 38.3 | Very low | 45.9 | Very low | 62 Ų | 62 | 106.2 Ų | 106.2 | 64% | 0.639 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.2 | -6.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 68 | Y | 36.4 | Very low | 45.9 | Very low | 144 Ų | 144 | 105.6 Ų | 105.6 | 57% | 0.565 | 56% | 0.563 | S | S | * | * | trans | -122.2 | 51.1 | -175.4 | -69.7 | -82 | 0 | 0 | 0 | 113 | G70 | Y68-G70 PolarHBondContact O-N 3.46Š| ||
| 69 | R | 36 | Very low | 45.9 | Very low | 260 Ų | 260 | 103.9 Ų | 103.9 | 98% | 0.981 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 27.5 | 166.7 | -74.4 | -177.7 | 80.1 | -173.4 | 6.5 | 113.8 | ||
| 70 | G | 40.5 | Very low | 45.9 | Very low | 77 Ų | 77 | 104.4 Ų | 104.4 | 79% | 0.794 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.7 | 2.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | Y68 | Y68-G70 PolarHBondContact O-N 3.46Š|
| 71 | S | 41.9 | Very low | 46 | Very low | 67 Ų | 67 | 106.8 Ų | 106.8 | 47% | 0.469 | 57% | 0.567 | S | S | . | * | trans | -123.1 | 106.7 | 174.6 | 68.9 | 0 | 0 | 0 | 0 | 110.3 | F73 | S71-F73 PolarHBondContact O-N 3.21Š| ||
| 72 | G | 46.9 | Very low | 46 | Very low | 69 Ų | 69 | 104.6 Ų | 104.6 | 71% | 0.711 | 56% | 0.557 | S | S | * | * | trans | -68 | 56.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N74 | G72-N74 PolarHBondContact O-N 2.97Š| ||
| 73 | F | 47.4 | Very low | 46 | Very low | 122 Ų | 122 | 104.2 Ų | 104.2 | 54% | 0.535 | 55% | 0.55 | S | S | . | . | trans | -80.7 | 95.3 | 174.3 | -150.3 | -94.3 | 0 | 0 | 0 | 107.5 | S71 D77 F78 | S71-F73 PolarHBondContact O-N 3.21Å; F73-D77 HydrophobicContact CD1-CB 4.37Å; F73-D77 HydrophobicContact CE1-CB 4.12Å; F73-D77 HydrophobicContact CE2-CB 4.33Å; F73-D77 HydrophobicContact CZ-CB 4.09Å; F73-F78 HydrophobicContact CE1-CB 4.36Å | ||
| 74 | N | 51.2 | Low | 45.9 | Very low | 103 Ų | 103 | 96.1 Ų | 96.1 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | trans | -78.1 | 152.3 | -176 | -82.2 | -58.2 | 0 | 0 | 0 | 110.7 | G72 Y76 D77 F78 | G72-N74 PolarHBondContact O-N 2.97Å; N74-Y76 PolarHBondContact O-N 2.96Å; N74-D77 PolarHBondContact N-OD2 2.77Å; N74-D77 WeakPolarHBondContact O-CA 3.21Å; N74-D77 WeakPolarHBondContact O-CB 3.45Å; N74-D77 PolarHBondContact O-N 3.23Å; N74-F78 PolarHBondContact O-N 3.3Å | ||
| 75 | F | 47.6 | Very low | 45.7 | Very low | 90 Ų | 90 | 99.5 Ų | 99.5 | 40% | 0.395 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -43.6 | -36.5 | 170.5 | 173.9 | -105.1 | 0 | 0 | 0 | 113.4 | L57 F61 F78 L79 | L57-F75 HydrophobicContact CD1-CE2 4.35Å; F61-F75 AromaticContact CE2-CD2 3.84Å; F61-F75 HydrophobicContact CE2-CD2 3.84Å; F61-F75 HydrophobicContact CZ-CB 4.32Å; F61-F75 AromaticContact CZ-CD2 3.83Å; F61-F75 HydrophobicContact CZ-CD2 3.83Å; F75-F78 PolarHBondContact O-N 2.87Å; F75-L79 HydrophobicContact CD1-CD1 3.73Å; F75-L79 HydrophobicContact CE1-CD1 3.26Å; F75-L79 HydrophobicContact CE2-CD1 4.13Å; F75-L79 HydrophobicContact CG-CD1 4.34Å; F75-L79 HydrophobicContact CZ-CD1 3.49Å; F75-L79 VanDerWaalsContact CZ-CD1 3.49Å; F75-L79 PolarHBondContact O-N 3.46Å; F75-L79 VanDerWaalsContact O-N 3.14Å |
| 76 | Y | 49.9 | Very low | 45.7 | Very low | 172 Ų | 172 | 103.9 Ų | 103.9 | 68% | 0.675 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -72 | -28.2 | 176.8 | -63.6 | -75.4 | 0 | 0 | 0 | 114.4 | N74 F78 S80 | N74-Y76 PolarHBondContact O-N 2.96Å; Y76-F78 VanDerWaalsContact C-N 3.35Å; Y76-S80 WeakPolarHBondContact O-CB 3.43Å; Y76-S80 PolarHBondContact O-N 2.84Å; Y76-S80 PolarHBondContact O-OG 2.89Å |
| 77 | D | 51.9 | Low | 45.8 | Very low | 68 Ų | 68 | 105.7 Ų | 105.7 | 36% | 0.364 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.8 | -37 | 174.1 | -69.9 | -35.9 | 0 | 0 | 0 | 110.5 | F73 N74 S80 L81 | F73-D77 HydrophobicContact CD1-CB 4.37Å; F73-D77 HydrophobicContact CE1-CB 4.12Å; F73-D77 HydrophobicContact CE2-CB 4.33Å; F73-D77 HydrophobicContact CZ-CB 4.09Å; N74-D77 PolarHBondContact N-OD2 2.77Å; N74-D77 WeakPolarHBondContact O-CA 3.21Å; N74-D77 WeakPolarHBondContact O-CB 3.45Å; N74-D77 PolarHBondContact O-N 3.23Å; D77-S80 VanDerWaalsContact CA-OG 3.31Å; D77-S80 WeakPolarHBondContact CA-OG 3.48Å; D77-S80 PolarHBondContact O-OG 3.15Å; D77-S80 VanDerWaalsContact O-OG 3.13Å; D77-L81 VanDerWaalsContact O-CB 3.31Å; D77-L81 WeakPolarHBondContact O-CB 3.19Å; D77-L81 PolarHBondContact O-N 3.36Å |
| 78 | F | 50.6 | Low | 45.7 | Very low | 47 Ų | 47 | 110.6 Ų | 110.6 | 21% | 0.206 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -65.8 | -49.4 | 173.7 | -171 | -91.4 | 0 | 0 | 0 | 111 | I8 F12 F73 N74 F75 Y76 S80 L81 F82 | I8-F78 HydrophobicContact CG2-CE2 4.12Å; F12-F78 HydrophobicContact CB-CZ 4.47Å; F12-F78 AromaticContact CD2-CE1 3.68Å; F12-F78 HydrophobicContact CD2-CE1 3.68Å; F12-F78 AromaticContact CD2-CZ 3.71Å; F12-F78 HydrophobicContact CD2-CZ 3.71Å; F12-F78 AromaticContact CE2-CE1 3.56Å; F12-F78 HydrophobicContact CE2-CE1 3.56Å; F12-F78 HydrophobicContact CE2-CZ 4.1Å; F12-F78 HydrophobicContact CG-CE1 4.33Å; F12-F78 HydrophobicContact CG-CZ 4.1Å; F12-F78 HydrophobicContact CZ-CE1 4.09Å; F73-F78 HydrophobicContact CE1-CB 4.36Å; N74-F78 PolarHBondContact O-N 3.3Å; F75-F78 PolarHBondContact O-N 2.87Å; Y76-F78 VanDerWaalsContact C-N 3.35Å; F78-S80 PolarHBondContact O-N 2.78Å; F78-L81 PolarHBondContact O-N 3Å; F78-F82 AromaticContact CD1-CD2 3.93Å; F78-F82 HydrophobicContact CD1-CD2 3.93Å; F78-F82 HydrophobicContact CD1-CE2 4.23Å; F78-F82 HydrophobicContact CD2-CD2 4.39Å; F78-F82 HydrophobicContact CD2-CE2 4.06Å; F78-F82 AromaticContact CE1-CD2 3.66Å; F78-F82 HydrophobicContact CE1-CD2 3.66Å; F78-F82 AromaticContact CE1-CE2 3.68Å; F78-F82 HydrophobicContact CE1-CE2 3.68Å; F78-F82 HydrophobicContact CE2-CD2 4.17Å; F78-F82 AromaticContact CE2-CE2 3.5Å; F78-F82 HydrophobicContact CE2-CE2 3.5Å; F78-F82 HydrophobicContact CE2-CZ 4.47Å; F78-F82 HydrophobicContact CG-CD2 4.29Å; F78-F82 HydrophobicContact CG-CE2 4.41Å; F78-F82 AromaticContact CZ-CD2 3.8Å; F78-F82 HydrophobicContact CZ-CD2 3.8Å; F78-F82 AromaticContact CZ-CE2 3.29Å; F78-F82 HydrophobicContact CZ-CE2 3.29Å; F78-F82 HydrophobicContact CZ-CZ 4.14Å; F78-F82 WeakPolarHBondContact O-CD2 3.46Å; F78-F82 PolarHBondContact O-N 3.24Å |
| 79 | L | 54.4 | Low | 45.8 | Very low | 43 Ų | 43 | 108.1 Ų | 108.1 | 23% | 0.225 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -61.1 | -41.2 | 176.7 | -85.1 | 159 | 0 | 0 | 0 | 112.8 | F75 F82 F83 | F75-L79 HydrophobicContact CD1-CD1 3.73Å; F75-L79 HydrophobicContact CE1-CD1 3.26Å; F75-L79 HydrophobicContact CE2-CD1 4.13Å; F75-L79 HydrophobicContact CG-CD1 4.34Å; F75-L79 HydrophobicContact CZ-CD1 3.49Å; F75-L79 VanDerWaalsContact CZ-CD1 3.49Å; F75-L79 PolarHBondContact O-N 3.46Å; F75-L79 VanDerWaalsContact O-N 3.14Å; L79-F82 PolarHBondContact O-N 2.74Å; L79-F83 HydrophobicContact CB-CD2 4.47Å; L79-F83 HydrophobicContact CD2-CD2 3.63Å; L79-F83 HydrophobicContact CD2-CE2 3.36Å; L79-F83 WeakPolarHBondContact O-CB 3.06Å; L79-F83 WeakPolarHBondContact O-CD2 3.39Å; L79-F83 PolarHBondContact O-N 3.35Å |
| 80 | S | 49.1 | Very low | 46.1 | Very low | 74 Ų | 74 | 102.2 Ų | 102.2 | 52% | 0.517 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -72.2 | -29.1 | -179.7 | 55.8 | 0 | 0 | 0 | 0 | 113.3 | Y76 D77 F78 | Y76-S80 WeakPolarHBondContact O-CB 3.43Å; Y76-S80 PolarHBondContact O-N 2.84Å; Y76-S80 PolarHBondContact O-OG 2.89Å; D77-S80 VanDerWaalsContact CA-OG 3.31Å; D77-S80 WeakPolarHBondContact CA-OG 3.48Å; D77-S80 PolarHBondContact O-OG 3.15Å; D77-S80 VanDerWaalsContact O-OG 3.13Å; F78-S80 PolarHBondContact O-N 2.78Å |
| 81 | L | 53.9 | Low | 46.5 | Very low | 113 Ų | 113 | 106.6 Ų | 106.6 | 59% | 0.592 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.5 | -37.7 | 171.8 | -158.7 | 88.6 | 0 | 0 | 0 | 112 | D77 F78 | D77-L81 VanDerWaalsContact O-CB 3.31Å; D77-L81 WeakPolarHBondContact O-CB 3.19Å; D77-L81 PolarHBondContact O-N 3.36Å; F78-L81 PolarHBondContact O-N 3Å |
| 82 | F | 49.6 | Very low | 46.8 | Very low | 44 Ų | 44 | 110.9 Ų | 110.9 | 19% | 0.193 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -87.3 | -39 | -177.4 | -85.6 | -74.6 | 0 | 0 | 0 | 114.3 | I9 F12 M13 F78 L79 G84 | I9-F82 HydrophobicContact CG1-CZ 4.33Å; F12-F82 HydrophobicContact CB-CE1 4.09Å; F12-F82 HydrophobicContact CB-CE2 4.45Å; F12-F82 HydrophobicContact CB-CZ 3.76Å; F12-F82 AromaticContact CD1-CD1 3.23Å; F12-F82 HydrophobicContact CD1-CD1 3.23Å; F12-F82 HydrophobicContact CD1-CD2 4.06Å; F12-F82 AromaticContact CD1-CE1 3.04Å; F12-F82 HydrophobicContact CD1-CE1 3.04Å; F12-F82 AromaticContact CD1-CE2 3.92Å; F12-F82 HydrophobicContact CD1-CE2 3.92Å; F12-F82 AromaticContact CD1-CG 3.74Å; F12-F82 HydrophobicContact CD1-CG 3.74Å; F12-F82 AromaticContact CD1-CZ 3.41Å; F12-F82 HydrophobicContact CD1-CZ 3.41Å; F12-F82 VanDerWaalsContact CD1-CZ 3.41Å; F12-F82 HydrophobicContact CE1-CB 3.92Å; F12-F82 AromaticContact CE1-CD1 3.2Å; F12-F82 HydrophobicContact CE1-CD1 3.2Å; F12-F82 AromaticContact CE1-CD2 3.9Å; F12-F82 HydrophobicContact CE1-CD2 3.9Å; F12-F82 AromaticContact CE1-CE1 3.6Å; F12-F82 HydrophobicContact CE1-CE1 3.6Å; F12-F82 HydrophobicContact CE1-CE2 4.24Å; F12-F82 AromaticContact CE1-CG 3.37Å; F12-F82 HydrophobicContact CE1-CG 3.37Å; F12-F82 HydrophobicContact CE1-CZ 4.09Å; F12-F82 HydrophobicContact CG-CD1 4.29Å; F12-F82 AromaticContact CG-CE1 3.82Å; F12-F82 HydrophobicContact CG-CE1 3.82Å; F12-F82 HydrophobicContact CG-CE2 4.1Å; F12-F82 AromaticContact CG-CZ 3.7Å; F12-F82 HydrophobicContact CG-CZ 3.7Å; F12-F82 HydrophobicContact CZ-CB 4.41Å; F12-F82 HydrophobicContact CZ-CD1 4.31Å; F12-F82 HydrophobicContact CZ-CD2 4.33Å; F12-F82 HydrophobicContact CZ-CG 4.08Å; M13-F82 HydrophobicContact CE-CD1 3.74Å; M13-F82 HydrophobicContact CE-CE1 3.58Å; F78-F82 AromaticContact CD1-CD2 3.93Å; F78-F82 HydrophobicContact CD1-CD2 3.93Å; F78-F82 HydrophobicContact CD1-CE2 4.23Å; F78-F82 HydrophobicContact CD2-CD2 4.39Å; F78-F82 HydrophobicContact CD2-CE2 4.06Å; F78-F82 AromaticContact CE1-CD2 3.66Å; F78-F82 HydrophobicContact CE1-CD2 3.66Å; F78-F82 AromaticContact CE1-CE2 3.68Å; F78-F82 HydrophobicContact CE1-CE2 3.68Å; F78-F82 HydrophobicContact CE2-CD2 4.17Å; F78-F82 AromaticContact CE2-CE2 3.5Å; F78-F82 HydrophobicContact CE2-CE2 3.5Å; F78-F82 HydrophobicContact CE2-CZ 4.47Å; F78-F82 HydrophobicContact CG-CD2 4.29Å; F78-F82 HydrophobicContact CG-CE2 4.41Å; F78-F82 AromaticContact CZ-CD2 3.8Å; F78-F82 HydrophobicContact CZ-CD2 3.8Å; F78-F82 AromaticContact CZ-CE2 3.29Å; F78-F82 HydrophobicContact CZ-CE2 3.29Å; F78-F82 HydrophobicContact CZ-CZ 4.14Å; F78-F82 WeakPolarHBondContact O-CD2 3.46Å; F78-F82 PolarHBondContact O-N 3.24Å; L79-F82 PolarHBondContact O-N 2.74Å; F82-G84 PolarHBondContact O-N 3.39Å |
| 83 | F | 48.2 | Very low | 46.7 | Very low | 115 Ų | 115 | 113.9 Ų | 113.9 | 50% | 0.504 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -74.9 | -12.1 | 179.9 | -87.1 | -73.1 | 0 | 0 | 0 | 113.4 | L79 L85 | L79-F83 HydrophobicContact CB-CD2 4.47Å; L79-F83 HydrophobicContact CD2-CD2 3.63Å; L79-F83 HydrophobicContact CD2-CE2 3.36Å; L79-F83 WeakPolarHBondContact O-CB 3.06Å; L79-F83 WeakPolarHBondContact O-CD2 3.39Å; L79-F83 PolarHBondContact O-N 3.35Å; F83-L85 HydrophobicContact CB-CG 4.08Å; F83-L85 WeakPolarHBondContact O-CA 3.22Å; F83-L85 PolarHBondContact O-N 2.76Å |
| 84 | G | 42.9 | Very low | 46.6 | Very low | 55 Ų | 55 | 118 Ų | 118 | 57% | 0.567 | 58% | 0.576 | S | S | * | * | trans | 37.1 | 46.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F82 N86 | F82-G84 PolarHBondContact O-N 3.39Å; G84-N86 PolarHBondContact O-N 2.99Å | ||
| 85 | L | 41.4 | Very low | 46.3 | Very low | 146 Ų | 146 | 122.9 Ų | 122.9 | 76% | 0.764 | 59% | 0.587 | S | S | * | * | trans | -71.5 | 76.3 | -170.1 | -73.9 | 172.9 | 0 | 0 | 0 | 108.5 | F83 K87 | F83-L85 HydrophobicContact CB-CG 4.08Å; F83-L85 WeakPolarHBondContact O-CA 3.22Å; F83-L85 PolarHBondContact O-N 2.76Å; L85-K87 VanDerWaalsContact C-N 3.31Å; L85-K87 PolarHBondContact O-N 2.8Å | ||
| 86 | N | 41.5 | Very low | 46.2 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 73% | 0.727 | 61% | 0.608 | S | S | * | * | 47.9 | 50.6 | 110.7 | -141.5 | -11.9 | 0 | 0 | 0 | 114.4 | G84 K88 | G84-N86 PolarHBondContact O-N 2.99Å; N86-K88 PolarHBondContact O-N 2.88Å | |||
| 87 | K | 41.2 | Very low | 45.9 | Very low | 212 Ų | 212 | 131.4 Ų | 131.4 | 92% | 0.922 | 62% | 0.617 | S | S | * | * | trans | -87.8 | 54 | 162.4 | -138.8 | 178.1 | -169.6 | 178.3 | 0 | 109.6 | L85 | L85-K87 VanDerWaalsContact C-N 3.31Å; L85-K87 PolarHBondContact O-N 2.8Å | ||
| 88 | K | 37.1 | Very low | 45.4 | Very low | 166 Ų | 166 | 134 Ų | 134 | 72% | 0.722 | 64% | 0.641 | S | S | * | * | trans | -82.2 | 117.1 | 166.5 | -108.6 | -173.1 | 169.3 | 174 | 0 | 108.5 | N86 | N86-K88 PolarHBondContact O-N 2.88Š| ||
| 89 | D | 38.1 | Very low | 44.8 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 49% | 0.487 | 67% | 0.671 | S | S | . | * | trans | 60.6 | 79.6 | 140.7 | -54.5 | -44.9 | 0 | 0 | 0 | 118.2 | R91 | D89-R91 IonicContact OD1-CZ 3.27Å; D89-R91 VanDerWaalsContact OD1-CZ 3.27Å; D89-R91 IonicContact OD1-NE 2.92Å; D89-R91 PolarHBondContact OD1-NE 2.75Å; D89-R91 IonicContact OD1-NH2 2.75Å; D89-R91 PolarHBondContact OD1-NH2 2.92Å | ||
| 90 | N | 43.2 | Very low | 43.9 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | -114.9 | 69 | 146.3 | -164.5 | -1.3 | 0 | 0 | 0 | 110.1 | N92 | N90-N92 VanDerWaalsContact C-N 3.25Å; N90-N92 PolarHBondContact O-N 2.58Å | ||
| 91 | R | 48.4 | Very low | 43.4 | Very low | 170 Ų | 170 | 138 Ų | 138 | 64% | 0.642 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 10.3 | -177.8 | -67.8 | -172.7 | -136.3 | -171.5 | 5.2 | 114.4 | D89 | D89-R91 IonicContact OD1-CZ 3.27Å; D89-R91 VanDerWaalsContact OD1-CZ 3.27Å; D89-R91 IonicContact OD1-NE 2.92Å; D89-R91 PolarHBondContact OD1-NE 2.75Å; D89-R91 IonicContact OD1-NH2 2.75Å; D89-R91 PolarHBondContact OD1-NH2 2.92Å |
| 92 | N | 48.1 | Very low | 42.6 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -3.1 | -176.3 | -76.5 | -3.2 | 0 | 0 | 0 | 115.3 | N90 R94 | N90-N92 VanDerWaalsContact C-N 3.25Å; N90-N92 PolarHBondContact O-N 2.58Å; N92-R94 PolarHBondContact O-N 3.47Å |
| 93 | N | 45.9 | Very low | 41.8 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -102.5 | 40 | -179.8 | -135.4 | 13.8 | 0 | 0 | 0 | 113.3 | R95 | N93-R95 PolarHBondContact O-N 3.38Å; N93-R95 VanDerWaalsContact O-N 3.15Å | ||
| 94 | R | 45.2 | Very low | 41.6 | Very low | 208 Ų | 208 | 140.6 Ų | 140.6 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -80.1 | 13.9 | -168.9 | -129.5 | -168.8 | -74 | -174.8 | -2.4 | 115.3 | N92 | N92-R94 PolarHBondContact O-N 3.47Š| ||
| 95 | R | 44.4 | Very low | 41.2 | Very low | 206 Ų | 206 | 142.2 Ų | 142.2 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -139.2 | 106.1 | -179 | -60 | 179.6 | -169.3 | -177.7 | 2.9 | 104.5 | N93 | N93-R95 PolarHBondContact O-N 3.38Å; N93-R95 VanDerWaalsContact O-N 3.15Å | ||
| 96 | Y | 45.6 | Very low | 40.8 | Very low | 210 Ų | 210 | 138.2 Ų | 138.2 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | 171.6 | 106.5 | 138.2 | -76.4 | -55 | 0 | 0 | 0 | 108.2 | ||||
| 97 | R | 43.4 | Very low | 40.6 | Very low | 232 Ų | 232 | 139.6 Ų | 139.6 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | trans | 62.2 | 102.1 | 145.5 | -79.6 | 175.9 | 162.5 | -179.6 | -6.4 | 119.3 | ||||
| 98 | S | 41 | Very low | 40.9 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | 40.8 | 117 | 110.7 | -54.4 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 99 | G | 37.6 | Very low | 40.9 | Very low | 81 Ų | 81 | 141 Ų | 141 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 120.9 | 110.4 | 138.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 100 | G | 36.8 | Very low | 41.1 | Very low | 85 Ų | 85 | 142.5 Ų | 142.5 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | 99.9 | 116.7 | 143.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 101 | G | 38.3 | Very low | 40.9 | Very low | 82 Ų | 82 | 142.4 Ų | 142.4 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | 99.7 | 89.3 | 135.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 102 | G | 36.2 | Very low | 40.6 | Very low | 81 Ų | 81 | 144.9 Ų | 144.9 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | 72.1 | 105.7 | 115.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 103 | G | 34.3 | Very low | 39.9 | Very low | 72 Ų | 72 | 142.6 Ų | 142.6 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | 91.2 | 138.2 | 126.7 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 104 | N | 42.8 | Very low | 39.1 | Very low | 172 Ų | 172 | 151.3 Ų | 151.3 | 92% | 0.92 | 84% | 0.84 | S | S | * | * | trans | 84.9 | 42.1 | 168.2 | -54.4 | -30.3 | 0 | 0 | 0 | 117.9 | ||||
| 105 | G | 33.7 | Very low | 38.8 | Very low | 89 Ų | 89 | 148.5 Ų | 148.5 | 92% | 0.918 | 84% | 0.843 | S | S | * | * | trans | -96.9 | 81.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 106 | G | 33.9 | Very low | 38.6 | Very low | 62 Ų | 62 | 145.5 Ų | 145.5 | 64% | 0.639 | 85% | 0.847 | S | S | * | * | trans | -161.4 | 136.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 107 | L | 37.7 | Very low | 38.2 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 87% | 0.869 | 85% | 0.848 | S | S | * | * | trans | 88.2 | 62.7 | 162.7 | -48.5 | 174 | 0 | 0 | 0 | 117.9 | ||||
| 108 | I | 46.5 | Very low | 37.9 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 86% | 0.862 | 85% | 0.846 | S | S | * | * | trans | -129.1 | 77.5 | 140.4 | -56 | 176.6 | 0 | 0 | 0 | 107.8 | ||||
| 109 | R | 37.6 | Very low | 37.7 | Very low | 238 Ų | 238 | 137.4 Ų | 137.4 | 90% | 0.898 | 85% | 0.845 | S | S | * | * | trans | -107.7 | 86.6 | 163.7 | -78.7 | -171.7 | 175.4 | -148.5 | 0.6 | 107.1 | ||||
| 110 | L | 42.4 | Very low | 37.7 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 64% | 0.644 | 85% | 0.846 | S | S | * | * | trans | -171 | 104.8 | 174.6 | -128 | 71.4 | 0 | 0 | 0 | 102.4 | ||||
| 111 | F | 39.8 | Very low | 37.7 | Very low | 135 Ų | 135 | 145.2 Ų | 145.2 | 59% | 0.592 | 84% | 0.844 | S | S | * | * | S | Bend | cis | -159.4 | 101.7 | 42.5 | -70.6 | -98.9 | 0 | 0 | 0 | 108.2 | ||
| 112 | F | 41.5 | Very low | 37.7 | Very low | 222 Ų | 222 | 150.1 Ų | 150.1 | 97% | 0.974 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -156.4 | 37.2 | 164.9 | -90.7 | -67.6 | 0 | 0 | 0 | 111.6 | ||
| 113 | A | 33.1 | Very low | 37.8 | Very low | 107 Ų | 107 | 155.8 Ų | 155.8 | 88% | 0.884 | 85% | 0.845 | S | S | * | * | trans | -134.7 | 53.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 114 | R | 30.3 | Very low | 38.1 | Very low | 316 Ų | 316 | 163.5 Ų | 163.5 | 100% | 1.192 | 85% | 0.854 | S | S | * | * | trans | -176 | 0 | 144.7 | -166.6 | 161.3 | 178 | 136.2 | -3 | 109.5 |
Retrieved 114 of 114 residues in 70.3 ms
(Link to these results)