| 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 | 27.5 | Very low | 31.7 | Very low | 232 Ų | 232 | 123.5 Ų | 123.5 | 100% | 1.143 | 63% | 0.627 | S | S | * | * | 0 | 128.8 | 0 | -104.5 | 179.9 | 175.5 | 0 | 0 | 107.9 | H3 | M1-H3 PolarHBondContact O-N 3.28Š| |||
| 2 | Y | 28.5 | Very low | 32.8 | Very low | 228 Ų | 228 | 115.4 Ų | 115.4 | 89% | 0.894 | 59% | 0.591 | S | S | * | * | trans | -41.5 | 115.8 | -163.9 | -62 | -91.1 | 0 | 0 | 0 | 115.1 | L4 | Y2-L4 PolarHBondContact O-N 3Š| ||
| 3 | H | 26 | Very low | 33.9 | Very low | 186 Ų | 186 | 109.1 Ų | 109.1 | 86% | 0.861 | 56% | 0.555 | S | S | * | * | trans | -68.3 | 84.5 | 158 | -71.8 | -89.8 | 0 | 0 | 0 | 107.1 | M1 P5 | M1-H3 PolarHBondContact O-N 3.28Å; H3-P5 WeakPolarHBondContact O-CD 3.39Å | ||
| 4 | L | 31.1 | Very low | 34.7 | Very low | 105 Ų | 105 | 104.3 Ų | 104.3 | 55% | 0.55 | 54% | 0.54 | S | S | . | . | trans | -66.4 | 112.3 | 156.8 | -164.3 | 77.4 | 0 | 0 | 0 | 104.6 | Y2 I6 V8 | Y2-L4 PolarHBondContact O-N 3Å; L4-I6 PolarHBondContact O-N 3.2Å; L4-V8 HydrophobicContact CD2-CB 4.4Å; L4-V8 HydrophobicContact CG-CB 4.44Å | ||
| 5 | P | 30.1 | Very low | 35.5 | Very low | 71 Ų | 71 | 102.7 Ų | 102.7 | 46% | 0.461 | 53% | 0.529 | S | S | . | . | trans | -58.1 | 130.8 | -174.5 | 22.2 | -30.2 | 0 | 0 | 0 | 107.5 | H3 N7 V8 | H3-P5 WeakPolarHBondContact O-CD 3.39Å; P5-N7 HydrophobicContact CB-CB 4.39Å; P5-N7 PolarHBondContact O-N 2.66Å; P5-V8 HydrophobicContact CG-CG2 4.31Å; P5-V8 PolarHBondContact O-N 2.94Å | ||
| 6 | I | 32.1 | Very low | 36.1 | Very low | 124 Ų | 124 | 97.9 Ų | 97.9 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -44.3 | -23.4 | 175.1 | -72.3 | 161.3 | 0 | 0 | 0 | 111.8 | L4 V8 M9 T10 | L4-I6 PolarHBondContact O-N 3.2Å; I6-V8 VanDerWaalsContact C-N 3.3Å; I6-V8 PolarHBondContact O-N 3.25Å; I6-M9 PolarHBondContact O-N 3.05Å; I6-T10 HydrophobicContact CG2-CG2 3.96Å; I6-T10 WeakPolarHBondContact O-CB 3.35Å; I6-T10 PolarHBondContact O-N 3.43Å; I6-T10 PolarHBondContact O-OG1 3.43Å |
| 7 | N | 28.4 | Very low | 36.6 | Very low | 120 Ų | 120 | 95.7 Ų | 95.7 | 64% | 0.642 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -55.9 | -33.6 | 171.8 | -67.5 | 4 | 0 | 0 | 0 | 114.5 | P5 T10 S11 | P5-N7 HydrophobicContact CB-CB 4.39Å; P5-N7 PolarHBondContact O-N 2.66Å; N7-T10 WeakPolarHBondContact CA-OG1 3.19Å; N7-T10 PolarHBondContact O-OG1 2.87Å; N7-S11 WeakPolarHBondContact O-CA 3.48Å; N7-S11 WeakPolarHBondContact O-CB 3.41Å; N7-S11 PolarHBondContact O-N 2.85Å |
| 8 | V | 32.2 | Very low | 37 | Very low | 74 Ų | 74 | 96.8 Ų | 96.8 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75.7 | -38.6 | 177.2 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | L4 P5 I6 S12 | L4-V8 HydrophobicContact CD2-CB 4.4Å; L4-V8 HydrophobicContact CG-CB 4.44Å; P5-V8 HydrophobicContact CG-CG2 4.31Å; P5-V8 PolarHBondContact O-N 2.94Å; I6-V8 VanDerWaalsContact C-N 3.3Å; I6-V8 PolarHBondContact O-N 3.25Å; V8-S12 WeakPolarHBondContact O-CB 3.49Å; V8-S12 PolarHBondContact O-N 3.27Å; V8-S12 PolarHBondContact O-OG 3.11Å |
| 9 | M | 31.8 | Very low | 37.1 | Very low | 97 Ų | 97 | 92.6 Ų | 92.6 | 48% | 0.478 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72.3 | -37.2 | 176.5 | -80.4 | -170.2 | -94.3 | 0 | 0 | 112.4 | I6 S12 Y13 | I6-M9 PolarHBondContact O-N 3.05Å; M9-S12 WeakPolarHBondContact CA-OG 3.39Å; M9-S12 PolarHBondContact O-N 3.31Å; M9-S12 PolarHBondContact O-OG 3.13Å; M9-Y13 VanDerWaalsContact O-CB 3.3Å; M9-Y13 WeakPolarHBondContact O-CB 3.24Å; M9-Y13 PolarHBondContact O-N 3.44Å |
| 10 | T | 38.6 | Very low | 37.4 | Very low | 69 Ų | 69 | 91.8 Ų | 91.8 | 42% | 0.423 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.9 | -36.8 | 173.1 | 47.4 | 0 | 0 | 0 | 0 | 111.3 | I6 N7 A14 | I6-T10 HydrophobicContact CG2-CG2 3.96Å; I6-T10 WeakPolarHBondContact O-CB 3.35Å; I6-T10 PolarHBondContact O-N 3.43Å; I6-T10 PolarHBondContact O-OG1 3.43Å; N7-T10 WeakPolarHBondContact CA-OG1 3.19Å; N7-T10 PolarHBondContact O-OG1 2.87Å; T10-A14 WeakPolarHBondContact O-CB 3.49Å; T10-A14 PolarHBondContact O-N 3.02Å |
| 11 | S | 42.4 | Very low | 37.6 | Very low | 52 Ų | 52 | 91 Ų | 91 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.4 | -47.6 | 168.9 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | N7 A14 Q15 | N7-S11 WeakPolarHBondContact O-CA 3.48Å; N7-S11 WeakPolarHBondContact O-CB 3.41Å; N7-S11 PolarHBondContact O-N 2.85Å; S11-A14 PolarHBondContact O-N 2.87Å; S11-Q15 WeakPolarHBondContact O-CB 3.11Å; S11-Q15 WeakPolarHBondContact O-CG 3.49Å; S11-Q15 PolarHBondContact O-N 3.14Å |
| 12 | S | 45.3 | Very low | 38.1 | Very low | 27 Ų | 27 | 81.4 Ų | 81.4 | 19% | 0.189 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -69.5 | -36.1 | -178.1 | 66.6 | 0 | 0 | 0 | 0 | 112 | V8 M9 M16 C60 | V8-S12 WeakPolarHBondContact O-CB 3.49Å; V8-S12 PolarHBondContact O-N 3.27Å; V8-S12 PolarHBondContact O-OG 3.11Å; M9-S12 WeakPolarHBondContact CA-OG 3.39Å; M9-S12 PolarHBondContact O-N 3.31Å; M9-S12 PolarHBondContact O-OG 3.13Å; S12-M16 WeakPolarHBondContact O-CB 3.43Å; S12-M16 PolarHBondContact O-N 2.95Å; S12-C60 PolarHBondContact OG-SG 2.88Å |
| 13 | Y | 46.9 | Very low | 38.7 | Very low | 33 Ų | 33 | 73.5 Ų | 73.5 | 13% | 0.129 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -73.8 | -39.7 | 174.4 | -171.4 | -100.8 | 0 | 0 | 0 | 112.4 | M9 Q15 M16 M17 H48 I55 | M9-Y13 VanDerWaalsContact O-CB 3.3Å; M9-Y13 WeakPolarHBondContact O-CB 3.24Å; M9-Y13 PolarHBondContact O-N 3.44Å; Y13-Q15 VanDerWaalsContact C-N 3.31Å; Y13-M16 HydrophobicContact CD2-CE 3.55Å; Y13-M16 HydrophobicContact CE2-CE 3.31Å; Y13-M16 CarbonylContact O-C 3.53Å; Y13-M16 WeakPolarHBondContact O-CA 3.33Å; Y13-M16 WeakPolarHBondContact O-CB 3.35Å; Y13-M16 PolarHBondContact O-N 2.76Å; Y13-M16 VanDerWaalsContact O-N 3.13Å; Y13-M17 HydrophobicContact CD1-CE 3.58Å; Y13-M17 HydrophobicContact CD1-CG 4.3Å; Y13-M17 HydrophobicContact CD1-SD 4.41Å; Y13-M17 HydrophobicContact CE1-CE 3.35Å; Y13-M17 HydrophobicContact CE1-CG 3.83Å; Y13-M17 HydrophobicContact CE1-SD 3.7Å; Y13-M17 PolarHBondContact O-N 3.17Å; Y13-H48 AromaticContact CD1-CD2 3.65Å; Y13-H48 AromaticContact CD1-NE2 3.57Å; Y13-H48 HydrophobicContact CE1-CB 4.28Å; Y13-H48 AromaticContact CE1-CD2 3.16Å; Y13-H48 WeakPolarHBondContact CE1-CD2 3.07Å; Y13-H48 AromaticContact CE1-CG 3.71Å; Y13-H48 AromaticContact CE1-NE2 3.6Å; Y13-H48 AromaticContact CZ-CD2 3.59Å; Y13-I55 HydrophobicContact CD2-CD1 3.77Å; Y13-I55 HydrophobicContact CE2-CD1 4.21Å |
| 14 | A | 45.1 | Very low | 39.4 | Very low | 42 Ų | 42 | 68.4 Ų | 68.4 | 35% | 0.347 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.8 | -37.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T10 S11 M16 M17 L18 | T10-A14 WeakPolarHBondContact O-CB 3.49Å; T10-A14 PolarHBondContact O-N 3.02Å; S11-A14 PolarHBondContact O-N 2.87Å; A14-M16 VanDerWaalsContact C-N 3.33Å; A14-M17 PolarHBondContact O-N 3.22Å; A14-L18 VanDerWaalsContact O-CB 3.23Å; A14-L18 WeakPolarHBondContact O-CB 3.17Å; A14-L18 VanDerWaalsContact O-CG 3.24Å; A14-L18 WeakPolarHBondContact O-CG 3.47Å; A14-L18 PolarHBondContact O-N 3.27Å |
| 15 | Q | 46.4 | Very low | 39.6 | Very low | 80 Ų | 80 | 66.3 Ų | 66.3 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 169.7 | -77.8 | 170.2 | -8.6 | 0 | 0 | 111 | S11 Y13 L18 C19 | S11-Q15 WeakPolarHBondContact O-CB 3.11Å; S11-Q15 WeakPolarHBondContact O-CG 3.49Å; S11-Q15 PolarHBondContact O-N 3.14Å; Y13-Q15 VanDerWaalsContact C-N 3.31Å; Q15-L18 CarbonylContact O-C 3.56Å; Q15-L18 PolarHBondContact O-N 3.07Å; Q15-C19 VanDerWaalsContact O-CB 3.23Å; Q15-C19 WeakPolarHBondContact O-CB 3.49Å; Q15-C19 PolarHBondContact O-N 2.85Å; Q15-C19 PolarHBondContact O-SG 2.79Å |
| 16 | M | 45.7 | Very low | 40.1 | Very low | 26 Ų | 26 | 69.8 Ų | 69.8 | 13% | 0.128 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 174.8 | -166.6 | -178.5 | 83 | 0 | 0 | 111.2 | S12 Y13 A14 C19 E20 F63 I67 | S12-M16 WeakPolarHBondContact O-CB 3.43Å; S12-M16 PolarHBondContact O-N 2.95Å; Y13-M16 HydrophobicContact CD2-CE 3.55Å; Y13-M16 HydrophobicContact CE2-CE 3.31Å; Y13-M16 CarbonylContact O-C 3.53Å; Y13-M16 WeakPolarHBondContact O-CA 3.33Å; Y13-M16 WeakPolarHBondContact O-CB 3.35Å; Y13-M16 PolarHBondContact O-N 2.76Å; Y13-M16 VanDerWaalsContact O-N 3.13Å; A14-M16 VanDerWaalsContact C-N 3.33Å; M16-C19 CarbonylContact O-C 3.56Å; M16-C19 PolarHBondContact O-N 3.46Å; M16-E20 PolarHBondContact O-N 3.37Å; M16-F63 HydrophobicContact SD-CB 4.02Å; M16-F63 HydrophobicContact SD-CD1 3.96Å; M16-F63 HydrophobicContact SD-CD2 3.74Å; M16-F63 HydrophobicContact SD-CE1 4.35Å; M16-F63 HydrophobicContact SD-CE2 4.17Å; M16-F63 HydrophobicContact SD-CG 3.64Å; M16-F63 HydrophobicContact SD-CZ 4.46Å; M16-I67 HydrophobicContact CB-CD1 4.35Å; M16-I67 HydrophobicContact CG-CD1 4.36Å |
| 17 | M | 44.6 | Very low | 40.3 | Very low | 61 Ų | 61 | 72 Ų | 72 | 30% | 0.3 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 173.5 | -81.1 | -161.8 | -72 | 0 | 0 | 111.6 | Y13 A14 C19 E20 L21 | Y13-M17 HydrophobicContact CD1-CE 3.58Å; Y13-M17 HydrophobicContact CD1-CG 4.3Å; Y13-M17 HydrophobicContact CD1-SD 4.41Å; Y13-M17 HydrophobicContact CE1-CE 3.35Å; Y13-M17 HydrophobicContact CE1-CG 3.83Å; Y13-M17 HydrophobicContact CE1-SD 3.7Å; Y13-M17 PolarHBondContact O-N 3.17Å; A14-M17 PolarHBondContact O-N 3.22Å; M17-C19 VanDerWaalsContact C-N 3.29Å; M17-C19 PolarHBondContact O-N 3.43Å; M17-E20 PolarHBondContact O-N 2.99Å; M17-L21 WeakPolarHBondContact O-CB 3.37Å; M17-L21 WeakPolarHBondContact O-CD1 3.43Å; M17-L21 WeakPolarHBondContact O-CG 3.15Å; M17-L21 PolarHBondContact O-N 3.4Å |
| 18 | L | 42.8 | Very low | 40.9 | Very low | 115 Ų | 115 | 70.9 Ų | 70.9 | 60% | 0.602 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.8 | -29.1 | 174.2 | -78 | 167.9 | 0 | 0 | 0 | 111.9 | A14 Q15 S22 | A14-L18 VanDerWaalsContact O-CB 3.23Å; A14-L18 WeakPolarHBondContact O-CB 3.17Å; A14-L18 VanDerWaalsContact O-CG 3.24Å; A14-L18 WeakPolarHBondContact O-CG 3.47Å; A14-L18 PolarHBondContact O-N 3.27Å; Q15-L18 CarbonylContact O-C 3.56Å; Q15-L18 PolarHBondContact O-N 3.07Å; L18-S22 WeakPolarHBondContact O-CA 3.1Å; L18-S22 WeakPolarHBondContact O-CB 3.33Å; L18-S22 PolarHBondContact O-N 2.85Å; L18-S22 PolarHBondContact O-OG 2.97Å |
| 19 | C | 40.1 | Very low | 41.1 | Very low | 17 Ų | 17 | 74.9 Ų | 74.9 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -79.1 | -38.8 | 174.6 | -73.5 | 0 | 0 | 0 | 0 | 112.8 | Q15 M16 M17 S22 A23 I67 F71 | Q15-C19 VanDerWaalsContact O-CB 3.23Å; Q15-C19 WeakPolarHBondContact O-CB 3.49Å; Q15-C19 PolarHBondContact O-N 2.85Å; Q15-C19 PolarHBondContact O-SG 2.79Å; M16-C19 CarbonylContact O-C 3.56Å; M16-C19 PolarHBondContact O-N 3.46Å; M17-C19 VanDerWaalsContact C-N 3.29Å; M17-C19 PolarHBondContact O-N 3.43Å; C19-S22 WeakPolarHBondContact CA-OG 3.41Å; C19-S22 PolarHBondContact O-N 3.41Å; C19-S22 PolarHBondContact O-OG 2.92Å; C19-S22 VanDerWaalsContact O-OG 3.11Å; C19-A23 WeakPolarHBondContact O-CB 3.31Å; C19-A23 PolarHBondContact O-N 2.76Å; C19-I67 HydrophobicContact CB-CD1 3.84Å; C19-I67 HydrophobicContact CB-CG1 3.76Å; C19-I67 HydrophobicContact CB-CG2 4.36Å; C19-I67 WeakPolarHBondContact SG-CG2 3.33Å; C19-F71 WeakPolarHBondContact SG-CE2 3.4Å |
| 20 | E | 41.8 | Very low | 41.5 | Very low | 76 Ų | 76 | 77.8 Ų | 77.8 | 36% | 0.355 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 170.4 | -82.7 | -172.2 | 150.4 | 0 | 0 | 110.3 | M16 M17 A23 Q24 | M16-E20 PolarHBondContact O-N 3.37Å; M17-E20 PolarHBondContact O-N 2.99Å; E20-A23 PolarHBondContact O-N 3.17Å; E20-Q24 WeakPolarHBondContact O-CB 3.44Å; E20-Q24 WeakPolarHBondContact O-CG 3.42Å; E20-Q24 PolarHBondContact O-N 2.89Å |
| 21 | L | 41.8 | Very low | 41.7 | Very low | 77 Ų | 77 | 80.4 Ų | 80.4 | 40% | 0.403 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 172.6 | -79.9 | 164.6 | 0 | 0 | 0 | 111.1 | M17 S25 V41 | M17-L21 WeakPolarHBondContact O-CB 3.37Å; M17-L21 WeakPolarHBondContact O-CD1 3.43Å; M17-L21 WeakPolarHBondContact O-CG 3.15Å; M17-L21 PolarHBondContact O-N 3.4Å; L21-S25 WeakPolarHBondContact O-CA 3.19Å; L21-S25 WeakPolarHBondContact O-CB 3.16Å; L21-S25 PolarHBondContact O-N 2.95Å; L21-S25 PolarHBondContact O-OG 3.01Å; L21-S25 VanDerWaalsContact O-OG 3.07Å; L21-V41 HydrophobicContact CD2-CG2 3.92Å |
| 22 | S | 39.4 | Very low | 41.7 | Very low | 29 Ų | 29 | 81 Ų | 81 | 20% | 0.203 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -66.2 | -48.1 | 176.6 | 75.2 | 0 | 0 | 0 | 0 | 110.2 | L18 C19 Q24 S25 F26 | L18-S22 WeakPolarHBondContact O-CA 3.1Å; L18-S22 WeakPolarHBondContact O-CB 3.33Å; L18-S22 PolarHBondContact O-N 2.85Å; L18-S22 PolarHBondContact O-OG 2.97Å; C19-S22 WeakPolarHBondContact CA-OG 3.41Å; C19-S22 PolarHBondContact O-N 3.41Å; C19-S22 PolarHBondContact O-OG 2.92Å; C19-S22 VanDerWaalsContact O-OG 3.11Å; S22-Q24 VanDerWaalsContact C-N 3.29Å; S22-Q24 PolarHBondContact O-N 3.03Å; S22-S25 WeakPolarHBondContact CA-OG 3.5Å; S22-S25 PolarHBondContact O-N 3.07Å; S22-S25 VanDerWaalsContact O-N 3.15Å; S22-S25 PolarHBondContact O-OG 3.43Å; S22-F26 WeakPolarHBondContact O-CB 3.13Å; S22-F26 VanDerWaalsContact O-CD2 3.24Å; S22-F26 WeakPolarHBondContact O-CD2 3.41Å; S22-F26 PolarHBondContact O-N 3.38Å |
| 23 | A | 41 | Very low | 41.8 | Very low | 62 Ų | 62 | 83.8 Ų | 83.8 | 51% | 0.512 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.9 | -33.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C19 E20 | C19-A23 WeakPolarHBondContact O-CB 3.31Å; C19-A23 PolarHBondContact O-N 2.76Å; E20-A23 PolarHBondContact O-N 3.17Å |
| 24 | Q | 39 | Very low | 41.6 | Very low | 80 Ų | 80 | 87.9 Ų | 87.9 | 37% | 0.374 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -84.2 | -31.9 | 174.3 | -68 | -170 | 19.4 | 0 | 0 | 113 | E20 S22 F26 | E20-Q24 WeakPolarHBondContact O-CB 3.44Å; E20-Q24 WeakPolarHBondContact O-CG 3.42Å; E20-Q24 PolarHBondContact O-N 2.89Å; S22-Q24 VanDerWaalsContact C-N 3.29Å; S22-Q24 PolarHBondContact O-N 3.03Å; Q24-F26 VanDerWaalsContact C-N 3.26Å; Q24-F26 PolarHBondContact O-N 3.28Å |
| 25 | S | 35.4 | Very low | 41.7 | Very low | 61 Ų | 61 | 91.7 Ų | 91.7 | 43% | 0.427 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.3 | -23.8 | 173.2 | 74.6 | 0 | 0 | 0 | 0 | 112.7 | L21 S22 | L21-S25 WeakPolarHBondContact O-CA 3.19Å; L21-S25 WeakPolarHBondContact O-CB 3.16Å; L21-S25 PolarHBondContact O-N 2.95Å; L21-S25 PolarHBondContact O-OG 3.01Å; L21-S25 VanDerWaalsContact O-OG 3.07Å; S22-S25 WeakPolarHBondContact CA-OG 3.5Å; S22-S25 PolarHBondContact O-N 3.07Å; S22-S25 VanDerWaalsContact O-N 3.15Å; S22-S25 PolarHBondContact O-OG 3.43Å |
| 26 | F | 41.1 | Very low | 41.8 | Very low | 144 Ų | 144 | 94.2 Ų | 94.2 | 63% | 0.632 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 6.8 | 179.8 | -84.4 | -79.7 | 0 | 0 | 0 | 114.5 | S22 Q24 | S22-F26 WeakPolarHBondContact O-CB 3.13Å; S22-F26 VanDerWaalsContact O-CD2 3.24Å; S22-F26 WeakPolarHBondContact O-CD2 3.41Å; S22-F26 PolarHBondContact O-N 3.38Å; Q24-F26 VanDerWaalsContact C-N 3.26Å; Q24-F26 PolarHBondContact O-N 3.28Å |
| 27 | K | 37.1 | Very low | 41.8 | Very low | 170 Ų | 170 | 95.1 Ų | 95.1 | 74% | 0.739 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -108.8 | 130.7 | 158.6 | -86.3 | -174.9 | 179.5 | 177.8 | 0 | 110.4 | ||
| 28 | P | 41.3 | Very low | 41.7 | Very low | 96 Ų | 96 | 95.9 Ų | 95.9 | 62% | 0.623 | 53% | 0.527 | S | S | * | . | trans | -75.3 | 151.1 | -134.6 | -10.7 | 26.5 | 0 | 0 | 0 | 110.2 | H30 | P28-H30 PolarHBondContact O-N 2.9Š| ||
| 29 | F | 36.5 | Very low | 42 | Very low | 158 Ų | 158 | 97.3 Ų | 97.3 | 69% | 0.693 | 53% | 0.528 | S | S | * | . | trans | -55.2 | 76.8 | 162.7 | -72.9 | -103 | 0 | 0 | 0 | 110.6 | L34 | F29-L34 HydrophobicContact CE1-CD1 4.29Å; F29-L34 HydrophobicContact CE1-CD2 3.92Å; F29-L34 HydrophobicContact CE1-CG 4.46Å | ||
| 30 | H | 39.5 | Very low | 42.3 | Very low | 158 Ų | 158 | 101.5 Ų | 101.5 | 73% | 0.731 | 55% | 0.547 | S | S | * | . | trans | -101.5 | 79.5 | 156 | -80.8 | -60.5 | 0 | 0 | 0 | 106.6 | P28 G32 | P28-H30 PolarHBondContact O-N 2.9Å; H30-G32 PolarHBondContact O-N 2.76Å | ||
| 31 | S | 42.8 | Very low | 42.6 | Very low | 125 Ų | 125 | 100.8 Ų | 100.8 | 87% | 0.874 | 55% | 0.548 | S | S | * | . | S | Bend | trans | 49.4 | 24.8 | 138.5 | 66 | 0 | 0 | 0 | 0 | 122.2 | ||
| 32 | G | 42.6 | Very low | 42.7 | Very low | 64 Ų | 64 | 102.8 Ų | 102.8 | 66% | 0.66 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -164.1 | 3.2 | 173 | 0 | 0 | 0 | 0 | 0 | 119.8 | H30 | H30-G32 PolarHBondContact O-N 2.76Š|
| 33 | N | 46.2 | Very low | 43 | Very low | 86 Ų | 86 | 104.6 Ų | 104.6 | 46% | 0.46 | 57% | 0.568 | S | S | . | * | trans | -117.9 | 1.8 | -168.7 | -107.5 | 1.2 | 0 | 0 | 0 | 116 | D35 K36 V37 | N33-D35 VanDerWaalsContact C-N 3.29Å; N33-D35 PolarHBondContact O-N 2.78Å; N33-K36 PolarHBondContact O-N 3.48Å; N33-K36 WeakPolarHBondContact OD1-CD 3.34Å; N33-K36 WeakPolarHBondContact OD1-CE 3.48Å; N33-K36 PolarHBondContact OD1-NZ 2.76Å; N33-V37 WeakPolarHBondContact O-CG2 3.49Å; N33-V37 PolarHBondContact O-N 3.46Å | ||
| 34 | L | 43.9 | Very low | 43.4 | Very low | 119 Ų | 119 | 104.4 Ų | 104.4 | 62% | 0.623 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59 | -39.5 | -179.7 | -77.7 | 170.1 | 0 | 0 | 0 | 112.5 | F29 K36 V37 S38 | F29-L34 HydrophobicContact CE1-CD1 4.29Å; F29-L34 HydrophobicContact CE1-CD2 3.92Å; F29-L34 HydrophobicContact CE1-CG 4.46Å; L34-K36 VanDerWaalsContact C-N 3.32Å; L34-K36 PolarHBondContact O-N 2.76Å; L34-V37 PolarHBondContact O-N 3.11Å; L34-S38 WeakPolarHBondContact O-CB 3.21Å; L34-S38 PolarHBondContact O-N 3.26Å |
| 35 | D | 47.7 | Very low | 43.6 | Very low | 122 Ų | 122 | 102.1 Ų | 102.1 | 65% | 0.652 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.4 | -35.4 | 175.2 | -77.2 | -39 | 0 | 0 | 0 | 112.9 | N33 K39 | N33-D35 VanDerWaalsContact C-N 3.29Å; N33-D35 PolarHBondContact O-N 2.78Å; D35-K39 VanDerWaalsContact O-CB 3.31Å; D35-K39 WeakPolarHBondContact O-CB 3.32Å; D35-K39 WeakPolarHBondContact O-CD 3.23Å; D35-K39 WeakPolarHBondContact O-CG 3.24Å; D35-K39 PolarHBondContact O-N 2.85Å |
| 36 | K | 48.8 | Very low | 43.9 | Very low | 133 Ų | 133 | 103.1 Ų | 103.1 | 58% | 0.578 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -74 | -39 | 179.2 | -60.8 | -165.1 | -157.6 | 144 | 0 | 111.5 | N33 L34 K39 M40 | N33-K36 PolarHBondContact O-N 3.48Å; N33-K36 WeakPolarHBondContact OD1-CD 3.34Å; N33-K36 WeakPolarHBondContact OD1-CE 3.48Å; N33-K36 PolarHBondContact OD1-NZ 2.76Å; L34-K36 VanDerWaalsContact C-N 3.32Å; L34-K36 PolarHBondContact O-N 2.76Å; K36-K39 PolarHBondContact O-N 2.85Å; K36-M40 WeakPolarHBondContact O-CB 3.49Å; K36-M40 WeakPolarHBondContact O-CG 3.36Å; K36-M40 PolarHBondContact O-N 3.26Å |
| 37 | V | 44 | Very low | 44 | Very low | 45 Ų | 45 | 100.5 Ų | 100.5 | 27% | 0.273 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.7 | -47.3 | 175.1 | 177.1 | 0 | 0 | 0 | 0 | 110 | N33 L34 K39 M40 V41 | N33-V37 WeakPolarHBondContact O-CG2 3.49Å; N33-V37 PolarHBondContact O-N 3.46Å; L34-V37 PolarHBondContact O-N 3.11Å; V37-K39 VanDerWaalsContact C-N 3.31Å; V37-K39 PolarHBondContact O-N 3.46Å; V37-M40 PolarHBondContact O-N 2.81Å; V37-M40 VanDerWaalsContact O-N 3.12Å; V37-V41 HydrophobicContact CG1-CG2 4.14Å; V37-V41 WeakPolarHBondContact O-CB 3.45Å; V37-V41 WeakPolarHBondContact O-CG2 3.46Å; V37-V41 PolarHBondContact O-N 3.12Å |
| 38 | S | 42.6 | Very low | 44.3 | Very low | 77 Ų | 77 | 96.8 Ų | 96.8 | 54% | 0.538 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.1 | -44.6 | 175.2 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | L34 V41 H42 | L34-S38 WeakPolarHBondContact O-CB 3.21Å; L34-S38 PolarHBondContact O-N 3.26Å; S38-V41 PolarHBondContact O-N 3.15Å; S38-H42 WeakPolarHBondContact O-CB 3.46Å; S38-H42 PolarHBondContact O-N 3.22Å |
| 39 | K | 48.9 | Very low | 44.3 | Very low | 144 Ų | 144 | 101.1 Ų | 101.1 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64 | -39.1 | 174.5 | -74.7 | 171.5 | -175.8 | 177.7 | 0 | 113.1 | D35 K36 V37 S43 | D35-K39 VanDerWaalsContact O-CB 3.31Å; D35-K39 WeakPolarHBondContact O-CB 3.32Å; D35-K39 WeakPolarHBondContact O-CD 3.23Å; D35-K39 WeakPolarHBondContact O-CG 3.24Å; D35-K39 PolarHBondContact O-N 2.85Å; K36-K39 PolarHBondContact O-N 2.85Å; V37-K39 VanDerWaalsContact C-N 3.31Å; V37-K39 PolarHBondContact O-N 3.46Å; K39-S43 VanDerWaalsContact O-CB 3.25Å; K39-S43 WeakPolarHBondContact O-CB 3.25Å; K39-S43 PolarHBondContact O-N 3.42Å; K39-S43 PolarHBondContact O-OG 3.48Å |
| 40 | M | 47.7 | Very low | 44.4 | Very low | 105 Ų | 105 | 102 Ų | 102 | 52% | 0.517 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.7 | -46.5 | 176.2 | -81.3 | -175.5 | 91 | 0 | 0 | 111.7 | K36 V37 H42 S43 L44 | K36-M40 WeakPolarHBondContact O-CB 3.49Å; K36-M40 WeakPolarHBondContact O-CG 3.36Å; K36-M40 PolarHBondContact O-N 3.26Å; V37-M40 PolarHBondContact O-N 2.81Å; V37-M40 VanDerWaalsContact O-N 3.12Å; M40-H42 VanDerWaalsContact C-N 3.33Å; M40-H42 PolarHBondContact O-N 3.44Å; M40-S43 PolarHBondContact O-N 3.48Å; M40-L44 WeakPolarHBondContact O-CB 3.46Å; M40-L44 WeakPolarHBondContact O-CG 3.26Å; M40-L44 PolarHBondContact O-N 2.84Å |
| 41 | V | 47.7 | Very low | 44.5 | Very low | 61 Ų | 61 | 96.7 Ų | 96.7 | 37% | 0.37 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 177.6 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | L21 V37 S38 L44 G45 | L21-V41 HydrophobicContact CD2-CG2 3.92Å; V37-V41 HydrophobicContact CG1-CG2 4.14Å; V37-V41 WeakPolarHBondContact O-CB 3.45Å; V37-V41 WeakPolarHBondContact O-CG2 3.46Å; V37-V41 PolarHBondContact O-N 3.12Å; S38-V41 PolarHBondContact O-N 3.15Å; V41-L44 PolarHBondContact O-N 2.68Å; V41-G45 PolarHBondContact O-N 3.22Å |
| 42 | H | 43.5 | Very low | 44.3 | Very low | 119 Ų | 119 | 96.9 Ų | 96.9 | 55% | 0.551 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.1 | -43.9 | 174.7 | -168.8 | -97.5 | 0 | 0 | 0 | 111.6 | S38 M40 L44 G45 L46 | S38-H42 WeakPolarHBondContact O-CB 3.46Å; S38-H42 PolarHBondContact O-N 3.22Å; M40-H42 VanDerWaalsContact C-N 3.33Å; M40-H42 PolarHBondContact O-N 3.44Å; H42-L44 VanDerWaalsContact C-N 3.33Å; H42-L44 PolarHBondContact O-N 2.95Å; H42-G45 PolarHBondContact O-N 3.49Å; H42-L46 VanDerWaalsContact CE1-CD1 3.48Å; H42-L46 WeakPolarHBondContact CE1-CD1 3.23Å; H42-L46 WeakPolarHBondContact ND1-CD1 3.46Å; H42-L46 WeakPolarHBondContact O-CB 3.39Å; H42-L46 VanDerWaalsContact O-CG 3.26Å; H42-L46 WeakPolarHBondContact O-CG 3.4Å; H42-L46 PolarHBondContact O-N 3.26Å |
| 43 | S | 45.7 | Very low | 44.5 | Very low | 67 Ų | 67 | 99.5 Ų | 99.5 | 47% | 0.469 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | K39 M40 L47 | K39-S43 VanDerWaalsContact O-CB 3.25Å; K39-S43 WeakPolarHBondContact O-CB 3.25Å; K39-S43 PolarHBondContact O-N 3.42Å; K39-S43 PolarHBondContact O-OG 3.48Å; M40-S43 PolarHBondContact O-N 3.48Å; S43-L47 WeakPolarHBondContact O-CB 3.06Å; S43-L47 PolarHBondContact O-N 3.46Å |
| 44 | L | 48.7 | Very low | 44.3 | Very low | 58 Ų | 58 | 106.9 Ų | 106.9 | 30% | 0.304 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.2 | -41.6 | 175.1 | -77.2 | 162.6 | 0 | 0 | 0 | 111.8 | M40 V41 H42 L46 L47 H48 | M40-L44 WeakPolarHBondContact O-CB 3.46Å; M40-L44 WeakPolarHBondContact O-CG 3.26Å; M40-L44 PolarHBondContact O-N 2.84Å; V41-L44 PolarHBondContact O-N 2.68Å; H42-L44 VanDerWaalsContact C-N 3.33Å; H42-L44 PolarHBondContact O-N 2.95Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 2.74Å; L44-L47 CarbonylContact O-C 3.6Å; L44-L47 WeakPolarHBondContact O-CB 3.36Å; L44-L47 PolarHBondContact O-N 3.41Å; L44-H48 PolarHBondContact O-N 3.47Å |
| 45 | G | 43.6 | Very low | 44.6 | Very low | 32 Ų | 32 | 104.7 Ų | 104.7 | 33% | 0.33 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.1 | -35.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V41 H42 H48 K49 | V41-G45 PolarHBondContact O-N 3.22Å; H42-G45 PolarHBondContact O-N 3.49Å; G45-H48 PolarHBondContact O-N 3.36Å; G45-K49 PolarHBondContact O-N 3.11Å |
| 46 | L | 42.4 | Very low | 44.2 | Very low | 82 Ų | 82 | 101.2 Ų | 101.2 | 43% | 0.429 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 170.4 | -72.8 | 178 | 0 | 0 | 0 | 111.7 | H42 L44 H48 K49 Q50 | H42-L46 VanDerWaalsContact CE1-CD1 3.48Å; H42-L46 WeakPolarHBondContact CE1-CD1 3.23Å; H42-L46 WeakPolarHBondContact ND1-CD1 3.46Å; H42-L46 WeakPolarHBondContact O-CB 3.39Å; H42-L46 VanDerWaalsContact O-CG 3.26Å; H42-L46 WeakPolarHBondContact O-CG 3.4Å; H42-L46 PolarHBondContact O-N 3.26Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 2.74Å; L46-H48 PolarHBondContact O-N 3.17Å; L46-K49 PolarHBondContact O-N 3.39Å; L46-K49 VanDerWaalsContact O-N 3.13Å; L46-Q50 PolarHBondContact O-N 2.75Å |
| 47 | L | 43.3 | Very low | 43.9 | Very low | 90 Ų | 90 | 100.3 Ų | 100.3 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56.7 | -42.4 | 173 | -119.4 | 146.8 | 0 | 0 | 0 | 110.4 | S43 L44 Q50 T51 | S43-L47 WeakPolarHBondContact O-CB 3.06Å; S43-L47 PolarHBondContact O-N 3.46Å; L44-L47 CarbonylContact O-C 3.6Å; L44-L47 WeakPolarHBondContact O-CB 3.36Å; L44-L47 PolarHBondContact O-N 3.41Å; L47-Q50 PolarHBondContact O-N 3.05Å; L47-T51 HydrophobicContact CD2-CG2 4.19Å; L47-T51 WeakPolarHBondContact O-CB 3.34Å; L47-T51 PolarHBondContact O-N 3.48Å; L47-T51 PolarHBondContact O-OG1 2.77Å |
| 48 | H | 42.5 | Very low | 44.3 | Very low | 92 Ų | 92 | 104.7 Ų | 104.7 | 43% | 0.426 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -69.3 | -34.8 | 176.6 | -167.6 | -100.4 | 0 | 0 | 0 | 113.1 | Y13 L44 G45 L46 Q50 | Y13-H48 AromaticContact CD1-CD2 3.65Å; Y13-H48 AromaticContact CD1-NE2 3.57Å; Y13-H48 HydrophobicContact CE1-CB 4.28Å; Y13-H48 AromaticContact CE1-CD2 3.16Å; Y13-H48 WeakPolarHBondContact CE1-CD2 3.07Å; Y13-H48 AromaticContact CE1-CG 3.71Å; Y13-H48 AromaticContact CE1-NE2 3.6Å; Y13-H48 AromaticContact CZ-CD2 3.59Å; L44-H48 PolarHBondContact O-N 3.47Å; G45-H48 PolarHBondContact O-N 3.36Å; L46-H48 PolarHBondContact O-N 3.17Å; H48-Q50 VanDerWaalsContact C-N 3.32Å; H48-Q50 PolarHBondContact O-N 2.75Å |
| 49 | K | 42.9 | Very low | 44.6 | Very low | 187 Ų | 187 | 105.1 Ų | 105.1 | 81% | 0.813 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.6 | -33.8 | 172.2 | -86.3 | -172.1 | 176.9 | -180 | 0 | 112.7 | G45 L46 | G45-K49 PolarHBondContact O-N 3.11Å; L46-K49 PolarHBondContact O-N 3.39Å; L46-K49 VanDerWaalsContact O-N 3.13Å |
| 50 | Q | 38.2 | Very low | 44.3 | Very low | 175 Ų | 175 | 100.2 Ų | 100.2 | 82% | 0.818 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -90.9 | -27.4 | -178.5 | -86.4 | -172.5 | -18.8 | 0 | 0 | 114.2 | L46 L47 H48 | L46-Q50 PolarHBondContact O-N 2.75Å; L47-Q50 PolarHBondContact O-N 3.05Å; H48-Q50 VanDerWaalsContact C-N 3.32Å; H48-Q50 PolarHBondContact O-N 2.75Å |
| 51 | T | 41.6 | Very low | 44.6 | Very low | 48 Ų | 48 | 102 Ų | 102 | 29% | 0.294 | 54% | 0.535 | S | S | . | . | trans | -110.3 | 101.8 | -174.6 | 59.2 | 0 | 0 | 0 | 0 | 111 | L47 L53 | L47-T51 HydrophobicContact CD2-CG2 4.19Å; L47-T51 WeakPolarHBondContact O-CB 3.34Å; L47-T51 PolarHBondContact O-N 3.48Å; L47-T51 PolarHBondContact O-OG1 2.77Å; T51-L53 HydrophobicContact CG2-CD1 3.84Å; T51-L53 HydrophobicContact CG2-CG 4.22Å; T51-L53 PolarHBondContact O-N 2.87Å | ||
| 52 | S | 38.3 | Very low | 45.2 | Very low | 128 Ų | 128 | 105.2 Ų | 105.2 | 90% | 0.895 | 54% | 0.541 | S | S | * | . | trans | -65.7 | 47 | 153.7 | -161.8 | 0 | 0 | 0 | 0 | 109.8 | R54 | S52-R54 PolarHBondContact O-N 2.97Š| ||
| 53 | L | 46.5 | Very low | 45.9 | Very low | 119 Ų | 119 | 103.1 Ų | 103.1 | 62% | 0.623 | 53% | 0.531 | S | S | * | . | trans | -70 | 105.9 | -177.6 | -102.3 | 165.9 | 0 | 0 | 0 | 106.3 | T51 I55 | T51-L53 HydrophobicContact CG2-CD1 3.84Å; T51-L53 HydrophobicContact CG2-CG 4.22Å; T51-L53 PolarHBondContact O-N 2.87Å; L53-I55 PolarHBondContact O-N 3.47Å | ||
| 54 | R | 41.5 | Very low | 46.4 | Very low | 242 Ų | 242 | 104.2 Ų | 104.2 | 91% | 0.913 | 53% | 0.528 | S | S | * | . | trans | -58.8 | 88.9 | 167.5 | -68.1 | 179.6 | 168.4 | 174.9 | -3.5 | 108 | S52 S56 | S52-R54 PolarHBondContact O-N 2.97Å; R54-S56 PolarHBondContact O-N 2.83Å | ||
| 55 | I | 50.2 | Low | 47.2 | Very low | 73 Ų | 73 | 106.7 Ų | 106.7 | 37% | 0.374 | 54% | 0.538 | S | S | . | . | trans | -59.4 | 124.8 | 172.7 | -64.9 | 171 | 0 | 0 | 0 | 106.5 | Y13 L53 L59 C60 | Y13-I55 HydrophobicContact CD2-CD1 3.77Å; Y13-I55 HydrophobicContact CE2-CD1 4.21Å; L53-I55 PolarHBondContact O-N 3.47Å; I55-L59 HydrophobicContact CG2-CB 3.83Å; I55-C60 HydrophobicContact CG2-CB 4.27Å | ||
| 56 | S | 39.9 | Very low | 47.9 | Very low | 48 Ų | 48 | 108.5 Ų | 108.5 | 34% | 0.336 | 54% | 0.538 | S | S | . | . | trans | -63.3 | 142.9 | 177.7 | 79.8 | 0 | 0 | 0 | 0 | 109.1 | R54 L58 L59 C60 | R54-S56 PolarHBondContact O-N 2.83Å; S56-L58 PolarHBondContact O-N 3Å; S56-L59 PolarHBondContact O-N 3.44Å; S56-L59 PolarHBondContact OG-N 3.33Å; S56-C60 PolarHBondContact O-N 2.81Å; S56-C60 VanDerWaalsContact O-N 3.11Å | ||
| 57 | P | 42.3 | Very low | 48.7 | Very low | 114 Ų | 114 | 106 Ų | 106 | 74% | 0.74 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -52.6 | -31.4 | 177.3 | -27 | 33.9 | 0 | 0 | 0 | 112.7 | C60 F61 | P57-C60 PolarHBondContact O-N 2.88Å; P57-F61 WeakPolarHBondContact O-CB 3.09Å; P57-F61 PolarHBondContact O-N 3.22Å |
| 58 | L | 51.6 | Low | 49.1 | Very low | 137 Ų | 137 | 105.2 Ų | 105.2 | 72% | 0.717 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.1 | -43.9 | 177.1 | -172.6 | 67.9 | 0 | 0 | 0 | 112.6 | S56 F61 Y62 | S56-L58 PolarHBondContact O-N 3Å; L58-F61 PolarHBondContact O-N 3.44Å; L58-Y62 WeakPolarHBondContact O-CB 2.97Å; L58-Y62 PolarHBondContact O-N 2.89Å |
| 59 | L | 49.2 | Very low | 49.6 | Very low | 86 Ų | 86 | 106.8 Ų | 106.8 | 45% | 0.45 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 175 | -87.6 | 154.6 | 0 | 0 | 0 | 110.5 | I55 S56 F61 Y62 F63 | I55-L59 HydrophobicContact CG2-CB 3.83Å; S56-L59 PolarHBondContact O-N 3.44Å; S56-L59 PolarHBondContact OG-N 3.33Å; L59-F61 VanDerWaalsContact C-N 3.29Å; L59-F61 PolarHBondContact O-N 3.44Å; L59-Y62 PolarHBondContact O-N 3.47Å; L59-F63 HydrophobicContact CB-CE2 4.46Å; L59-F63 HydrophobicContact CD2-CE2 3.85Å; L59-F63 WeakPolarHBondContact O-CD2 3.3Å; L59-F63 PolarHBondContact O-N 2.76Å |
| 60 | C | 43.5 | Very low | 49.9 | Very low | 42 Ų | 42 | 101 Ų | 101 | 28% | 0.284 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 175.8 | -166.6 | 0 | 0 | 0 | 0 | 111.5 | S12 I55 S56 P57 H64 | S12-C60 PolarHBondContact OG-SG 2.88Å; I55-C60 HydrophobicContact CG2-CB 4.27Å; S56-C60 PolarHBondContact O-N 2.81Å; S56-C60 VanDerWaalsContact O-N 3.11Å; P57-C60 PolarHBondContact O-N 2.88Å; C60-H64 VanDerWaalsContact O-CB 3.24Å; C60-H64 WeakPolarHBondContact O-CB 3.5Å; C60-H64 PolarHBondContact O-N 3.21Å |
| 61 | F | 54.4 | Low | 50.7 | Low | 143 Ų | 143 | 97.1 Ų | 97.1 | 63% | 0.627 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.5 | -42.4 | 176.7 | -169.4 | -96 | 0 | 0 | 0 | 112.3 | P57 L58 L59 H64 H65 | P57-F61 WeakPolarHBondContact O-CB 3.09Å; P57-F61 PolarHBondContact O-N 3.22Å; L58-F61 PolarHBondContact O-N 3.44Å; L59-F61 VanDerWaalsContact C-N 3.29Å; L59-F61 PolarHBondContact O-N 3.44Å; F61-H64 PolarHBondContact O-N 3Å; F61-H65 WeakPolarHBondContact O-CB 3.16Å; F61-H65 PolarHBondContact O-N 2.81Å |
| 62 | Y | 59 | Low | 51.2 | Low | 128 Ų | 128 | 98.8 Ų | 98.8 | 50% | 0.502 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 176.8 | 179.6 | -95.7 | 0 | 0 | 0 | 111.8 | L58 L59 H65 Q66 | L58-Y62 WeakPolarHBondContact O-CB 2.97Å; L58-Y62 PolarHBondContact O-N 2.89Å; L59-Y62 PolarHBondContact O-N 3.47Å; Y62-H65 PolarHBondContact O-N 3.05Å; Y62-Q66 HydrophobicContact CD1-CG 4.42Å; Y62-Q66 HydrophobicContact CE1-CG 3.99Å; Y62-Q66 HydrophobicContact CE2-CG 4.49Å; Y62-Q66 WeakPolarHBondContact O-CG 3.46Å; Y62-Q66 PolarHBondContact O-N 3.43Å; Y62-Q66 PolarHBondContact OH-NE2 3.02Å; Y62-Q66 VanDerWaalsContact OH-NE2 3.1Å |
| 63 | F | 58.6 | Low | 52 | Low | 75 Ų | 75 | 97.1 Ų | 97.1 | 33% | 0.329 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 176.4 | -75 | -64.1 | 0 | 0 | 0 | 111.6 | M16 L59 H65 Q66 I67 | M16-F63 HydrophobicContact SD-CB 4.02Å; M16-F63 HydrophobicContact SD-CD1 3.96Å; M16-F63 HydrophobicContact SD-CD2 3.74Å; M16-F63 HydrophobicContact SD-CE1 4.35Å; M16-F63 HydrophobicContact SD-CE2 4.17Å; M16-F63 HydrophobicContact SD-CG 3.64Å; M16-F63 HydrophobicContact SD-CZ 4.46Å; L59-F63 HydrophobicContact CB-CE2 4.46Å; L59-F63 HydrophobicContact CD2-CE2 3.85Å; L59-F63 WeakPolarHBondContact O-CD2 3.3Å; L59-F63 PolarHBondContact O-N 2.76Å; F63-H65 VanDerWaalsContact C-N 3.28Å; F63-H65 PolarHBondContact O-N 3.48Å; F63-Q66 PolarHBondContact O-N 2.78Å; F63-I67 WeakPolarHBondContact O-CB 3.48Å; F63-I67 VanDerWaalsContact O-CG1 3.26Å; F63-I67 WeakPolarHBondContact O-CG1 3.3Å; F63-I67 PolarHBondContact O-N 2.87Å |
| 64 | H | 56.7 | Low | 52.3 | Low | 90 Ų | 90 | 94.5 Ų | 94.5 | 42% | 0.417 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.8 | -39.9 | 176.4 | -176.4 | -106.9 | 0 | 0 | 0 | 112.1 | C60 F61 N68 | C60-H64 VanDerWaalsContact O-CB 3.24Å; C60-H64 WeakPolarHBondContact O-CB 3.5Å; C60-H64 PolarHBondContact O-N 3.21Å; F61-H64 PolarHBondContact O-N 3Å; H64-N68 PolarHBondContact CE1-ND2 3.5Å; H64-N68 PolarHBondContact ND1-ND2 3.18Å; H64-N68 PolarHBondContact NE2-ND2 3.06Å; H64-N68 WeakPolarHBondContact O-CB 3.39Å; H64-N68 PolarHBondContact O-N 3.26Å; H64-N68 PolarHBondContact O-ND2 2.9Å |
| 65 | H | 64.8 | Low | 52.4 | Low | 109 Ų | 109 | 86.6 Ų | 86.6 | 51% | 0.505 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 175.5 | -177.6 | 54.4 | 0 | 0 | 0 | 112.2 | F61 Y62 F63 I67 N68 K69 | F61-H65 WeakPolarHBondContact O-CB 3.16Å; F61-H65 PolarHBondContact O-N 2.81Å; Y62-H65 PolarHBondContact O-N 3.05Å; F63-H65 VanDerWaalsContact C-N 3.28Å; F63-H65 PolarHBondContact O-N 3.48Å; H65-I67 PolarHBondContact O-N 3.35Å; H65-N68 PolarHBondContact O-N 2.79Å; H65-K69 PolarHBondContact O-N 3.49Å |
| 66 | Q | 59.3 | Low | 52.2 | Low | 71 Ų | 71 | 92.9 Ų | 92.9 | 33% | 0.332 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 179.7 | -67.3 | -73.1 | 38.5 | 0 | 0 | 112.8 | Y62 F63 K69 S70 | Y62-Q66 HydrophobicContact CD1-CG 4.42Å; Y62-Q66 HydrophobicContact CE1-CG 3.99Å; Y62-Q66 HydrophobicContact CE2-CG 4.49Å; Y62-Q66 WeakPolarHBondContact O-CG 3.46Å; Y62-Q66 PolarHBondContact O-N 3.43Å; Y62-Q66 PolarHBondContact OH-NE2 3.02Å; Y62-Q66 VanDerWaalsContact OH-NE2 3.1Å; F63-Q66 PolarHBondContact O-N 2.78Å; Q66-K69 PolarHBondContact O-N 3.1Å; Q66-S70 WeakPolarHBondContact O-CB 3.43Å; Q66-S70 PolarHBondContact O-N 3.3Å; Q66-S70 PolarHBondContact O-OG 3.13Å |
| 67 | I | 58.6 | Low | 52.6 | Low | 30 Ų | 30 | 99.7 Ų | 99.7 | 15% | 0.154 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -60.9 | -50.5 | 173.9 | -73.9 | 168.6 | 0 | 0 | 0 | 110.1 | M16 C19 F63 H65 K69 S70 F71 | M16-I67 HydrophobicContact CB-CD1 4.35Å; M16-I67 HydrophobicContact CG-CD1 4.36Å; C19-I67 HydrophobicContact CB-CD1 3.84Å; C19-I67 HydrophobicContact CB-CG1 3.76Å; C19-I67 HydrophobicContact CB-CG2 4.36Å; C19-I67 WeakPolarHBondContact SG-CG2 3.33Å; F63-I67 WeakPolarHBondContact O-CB 3.48Å; F63-I67 VanDerWaalsContact O-CG1 3.26Å; F63-I67 WeakPolarHBondContact O-CG1 3.3Å; F63-I67 PolarHBondContact O-N 2.87Å; H65-I67 PolarHBondContact O-N 3.35Å; I67-K69 VanDerWaalsContact C-N 3.3Å; I67-K69 PolarHBondContact O-N 3.13Å; I67-S70 PolarHBondContact O-N 2.9Å; I67-S70 VanDerWaalsContact O-N 3.11Å; I67-F71 HydrophobicContact CG2-CD2 3.57Å; I67-F71 HydrophobicContact CG2-CE2 3.7Å; I67-F71 WeakPolarHBondContact O-CD2 3.16Å; I67-F71 PolarHBondContact O-N 3.36Å |
| 68 | N | 51.3 | Low | 52.9 | Low | 73 Ų | 73 | 99.2 Ų | 99.2 | 39% | 0.39 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 179.7 | -77.8 | -50.6 | 0 | 0 | 0 | 112.3 | H64 H65 S70 F71 S72 | H64-N68 PolarHBondContact CE1-ND2 3.5Å; H64-N68 PolarHBondContact ND1-ND2 3.18Å; H64-N68 PolarHBondContact NE2-ND2 3.06Å; H64-N68 WeakPolarHBondContact O-CB 3.39Å; H64-N68 PolarHBondContact O-N 3.26Å; H64-N68 PolarHBondContact O-ND2 2.9Å; H65-N68 PolarHBondContact O-N 2.79Å; N68-S70 VanDerWaalsContact C-N 3.34Å; N68-S70 PolarHBondContact O-N 3.33Å; N68-F71 PolarHBondContact O-N 2.86Å; N68-S72 WeakPolarHBondContact O-CB 3.26Å; N68-S72 PolarHBondContact O-N 2.81Å |
| 69 | K | 53 | Low | 52.9 | Low | 124 Ų | 124 | 100.1 Ų | 100.1 | 54% | 0.539 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 174.5 | -172.1 | 177.4 | -179.5 | 179.1 | 0 | 111.6 | H65 Q66 I67 S72 I73 | H65-K69 PolarHBondContact O-N 3.49Å; Q66-K69 PolarHBondContact O-N 3.1Å; I67-K69 VanDerWaalsContact C-N 3.3Å; I67-K69 PolarHBondContact O-N 3.13Å; K69-S72 PolarHBondContact O-N 3.19Å; K69-I73 WeakPolarHBondContact O-CG1 3.34Å; K69-I73 PolarHBondContact O-N 2.98Å |
| 70 | S | 49.5 | Very low | 52.8 | Low | 67 Ų | 67 | 102.8 Ų | 102.8 | 47% | 0.469 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.1 | -43.4 | 178.8 | -57 | 0 | 0 | 0 | 0 | 111.9 | Q66 I67 N68 S72 I73 L74 | Q66-S70 WeakPolarHBondContact O-CB 3.43Å; Q66-S70 PolarHBondContact O-N 3.3Å; Q66-S70 PolarHBondContact O-OG 3.13Å; I67-S70 PolarHBondContact O-N 2.9Å; I67-S70 VanDerWaalsContact O-N 3.11Å; N68-S70 VanDerWaalsContact C-N 3.34Å; N68-S70 PolarHBondContact O-N 3.33Å; S70-S72 VanDerWaalsContact C-N 3.33Å; S70-S72 PolarHBondContact O-N 3.45Å; S70-I73 PolarHBondContact O-N 2.98Å; S70-L74 PolarHBondContact O-N 3.38Å |
| 71 | F | 56 | Low | 53 | Low | 93 Ų | 93 | 104.5 Ų | 104.5 | 41% | 0.408 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 174.6 | -92.1 | -71.1 | 0 | 0 | 0 | 113 | C19 I67 N68 I73 L74 N75 | C19-F71 WeakPolarHBondContact SG-CE2 3.4Å; I67-F71 HydrophobicContact CG2-CD2 3.57Å; I67-F71 HydrophobicContact CG2-CE2 3.7Å; I67-F71 WeakPolarHBondContact O-CD2 3.16Å; I67-F71 PolarHBondContact O-N 3.36Å; N68-F71 PolarHBondContact O-N 2.86Å; F71-I73 VanDerWaalsContact C-N 3.32Å; F71-I73 PolarHBondContact O-N 2.62Å; F71-L74 PolarHBondContact O-N 2.87Å; F71-N75 WeakPolarHBondContact O-CB 3.4Å; F71-N75 PolarHBondContact O-N 2.87Å |
| 72 | S | 51.4 | Low | 52.4 | Low | 82 Ų | 82 | 101.6 Ų | 101.6 | 57% | 0.573 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.6 | -42.1 | 175 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | N68 K69 S70 R76 | N68-S72 WeakPolarHBondContact O-CB 3.26Å; N68-S72 PolarHBondContact O-N 2.81Å; K69-S72 PolarHBondContact O-N 3.19Å; S70-S72 VanDerWaalsContact C-N 3.33Å; S70-S72 PolarHBondContact O-N 3.45Å; S72-R76 WeakPolarHBondContact O-CB 3.21Å; S72-R76 PolarHBondContact O-N 3.25Å |
| 73 | I | 54.6 | Low | 52.2 | Low | 93 Ų | 93 | 99.9 Ų | 99.9 | 48% | 0.477 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 174.5 | -63.7 | 165.6 | 0 | 0 | 0 | 110.3 | K69 S70 F71 R76 W77 | K69-I73 WeakPolarHBondContact O-CG1 3.34Å; K69-I73 PolarHBondContact O-N 2.98Å; S70-I73 PolarHBondContact O-N 2.98Å; F71-I73 VanDerWaalsContact C-N 3.32Å; F71-I73 PolarHBondContact O-N 2.62Å; I73-R76 WeakPolarHBondContact O-CB 3.5Å; I73-R76 PolarHBondContact O-N 2.81Å; I73-W77 PolarHBondContact O-N 3.23Å |
| 74 | L | 52.2 | Low | 51.7 | Low | 64 Ų | 64 | 102 Ų | 102 | 34% | 0.335 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | -179.9 | -119.1 | 156.7 | 0 | 0 | 0 | 112.2 | S70 F71 R76 W77 Y78 | S70-L74 PolarHBondContact O-N 3.38Å; F71-L74 PolarHBondContact O-N 2.87Å; L74-R76 VanDerWaalsContact C-N 3.3Å; L74-R76 PolarHBondContact O-N 2.84Å; L74-W77 CarbonylContact O-C 3.58Å; L74-W77 WeakPolarHBondContact O-CB 3.42Å; L74-W77 PolarHBondContact O-N 3.34Å; L74-W77 VanDerWaalsContact O-N 3.17Å; L74-Y78 WeakPolarHBondContact O-CB 3.33Å; L74-Y78 PolarHBondContact O-N 2.8Å |
| 75 | N | 44.7 | Very low | 50.9 | Low | 77 Ų | 77 | 105 Ų | 105 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 172.6 | -94.3 | -29.5 | 0 | 0 | 0 | 110.6 | F71 W77 Y78 Y79 | F71-N75 WeakPolarHBondContact O-CB 3.4Å; F71-N75 PolarHBondContact O-N 2.87Å; N75-W77 VanDerWaalsContact C-N 3.29Å; N75-W77 PolarHBondContact O-N 2.79Å; N75-Y78 PolarHBondContact O-N 3.48Å; N75-Y79 HydrophobicContact CB-CD2 4.16Å; N75-Y79 HydrophobicContact CB-CE2 4.2Å; N75-Y79 WeakPolarHBondContact O-CB 3.24Å; N75-Y79 WeakPolarHBondContact O-CD2 3.4Å; N75-Y79 PolarHBondContact O-N 3.2Å |
| 76 | R | 46.2 | Very low | 49.8 | Very low | 205 Ų | 205 | 105.8 Ų | 105.8 | 77% | 0.774 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.9 | -38.8 | 176.4 | -159.4 | 176.1 | -161.7 | 167.7 | 5.1 | 112.1 | S72 I73 L74 K80 | S72-R76 WeakPolarHBondContact O-CB 3.21Å; S72-R76 PolarHBondContact O-N 3.25Å; I73-R76 WeakPolarHBondContact O-CB 3.5Å; I73-R76 PolarHBondContact O-N 2.81Å; L74-R76 VanDerWaalsContact C-N 3.3Å; L74-R76 PolarHBondContact O-N 2.84Å; R76-K80 WeakPolarHBondContact O-CB 3.41Å; R76-K80 PolarHBondContact O-N 2.84Å; R76-K80 VanDerWaalsContact O-N 3.14Å |
| 77 | W | 46.9 | Very low | 49.2 | Very low | 191 Ų | 191 | 108.5 Ų | 108.5 | 72% | 0.723 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.3 | -45.4 | 172.4 | -87.1 | 89.1 | 0 | 0 | 0 | 112.1 | I73 L74 N75 K80 D81 | I73-W77 PolarHBondContact O-N 3.23Å; L74-W77 CarbonylContact O-C 3.58Å; L74-W77 WeakPolarHBondContact O-CB 3.42Å; L74-W77 PolarHBondContact O-N 3.34Å; L74-W77 VanDerWaalsContact O-N 3.17Å; N75-W77 VanDerWaalsContact C-N 3.29Å; N75-W77 PolarHBondContact O-N 2.79Å; W77-K80 PolarHBondContact O-N 3.03Å; W77-D81 WeakPolarHBondContact O-CB 3.07Å; W77-D81 PolarHBondContact O-N 3.43Å |
| 78 | Y | 49.7 | Very low | 48.1 | Very low | 104 Ų | 104 | 115.3 Ų | 115.3 | 41% | 0.408 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.1 | -47.3 | -179.5 | -175.9 | -107 | 0 | 0 | 0 | 111.9 | L74 N75 K80 D81 L82 | L74-Y78 WeakPolarHBondContact O-CB 3.33Å; L74-Y78 PolarHBondContact O-N 2.8Å; N75-Y78 PolarHBondContact O-N 3.48Å; Y78-K80 VanDerWaalsContact C-N 3.32Å; Y78-K80 PolarHBondContact O-N 2.83Å; Y78-D81 PolarHBondContact O-N 3.11Å; Y78-L82 HydrophobicContact CD1-CD1 3.64Å; Y78-L82 HydrophobicContact CE1-CD1 3.12Å; Y78-L82 HydrophobicContact CE1-CG 4.44Å; Y78-L82 HydrophobicContact CE2-CD1 4.16Å; Y78-L82 HydrophobicContact CG-CD1 4.34Å; Y78-L82 VanDerWaalsContact CZ-CD1 3.42Å; Y78-L82 WeakPolarHBondContact O-CB 3.48Å; Y78-L82 PolarHBondContact O-N 3.4Å |
| 79 | Y | 50.6 | Low | 47.1 | Very low | 155 Ų | 155 | 114.6 Ų | 114.6 | 61% | 0.608 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.8 | -35.9 | 175.8 | -78.9 | -68 | 0 | 0 | 0 | 112.3 | N75 S83 | N75-Y79 HydrophobicContact CB-CD2 4.16Å; N75-Y79 HydrophobicContact CB-CE2 4.2Å; N75-Y79 WeakPolarHBondContact O-CB 3.24Å; N75-Y79 WeakPolarHBondContact O-CD2 3.4Å; N75-Y79 PolarHBondContact O-N 3.2Å; Y79-S83 PolarHBondContact O-N 3.37Å; Y79-S83 PolarHBondContact O-OG 2.94Å |
| 80 | K | 48.2 | Very low | 46 | Very low | 143 Ų | 143 | 116.3 Ų | 116.3 | 62% | 0.622 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.7 | -35.1 | 175.8 | -171.3 | 178.1 | -179.3 | -176.1 | 0 | 112.3 | R76 W77 Y78 S83 | R76-K80 WeakPolarHBondContact O-CB 3.41Å; R76-K80 PolarHBondContact O-N 2.84Å; R76-K80 VanDerWaalsContact O-N 3.14Å; W77-K80 PolarHBondContact O-N 3.03Å; Y78-K80 VanDerWaalsContact C-N 3.32Å; Y78-K80 PolarHBondContact O-N 2.83Å; K80-S83 PolarHBondContact O-OG 2.94Å |
| 81 | D | 46.5 | Very low | 45.3 | Very low | 77 Ų | 77 | 120.2 Ų | 120.2 | 41% | 0.412 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -76.6 | -34.3 | 176.8 | -149.8 | 32.6 | 0 | 0 | 0 | 111.2 | W77 Y78 N84 R85 | W77-D81 WeakPolarHBondContact O-CB 3.07Å; W77-D81 PolarHBondContact O-N 3.43Å; Y78-D81 PolarHBondContact O-N 3.11Å; D81-N84 PolarHBondContact O-N 2.9Å; D81-N84 VanDerWaalsContact O-N 3.13Å; D81-R85 PolarHBondContact O-N 2.86Å; D81-R85 IonicContact OD2-CZ 3.6Å; D81-R85 IonicContact OD2-NE 3.43Å; D81-R85 PolarHBondContact OD2-NE 2.77Å; D81-R85 IonicContact OD2-NH2 3.05Å; D81-R85 PolarHBondContact OD2-NH2 3.19Å |
| 82 | L | 43.3 | Very low | 44.2 | Very low | 83 Ų | 83 | 124 Ų | 124 | 44% | 0.435 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.2 | -40.7 | 172.4 | -104.7 | 154.6 | 0 | 0 | 0 | 112.8 | Y78 N84 R85 | Y78-L82 HydrophobicContact CD1-CD1 3.64Å; Y78-L82 HydrophobicContact CE1-CD1 3.12Å; Y78-L82 HydrophobicContact CE1-CG 4.44Å; Y78-L82 HydrophobicContact CE2-CD1 4.16Å; Y78-L82 HydrophobicContact CG-CD1 4.34Å; Y78-L82 VanDerWaalsContact CZ-CD1 3.42Å; Y78-L82 WeakPolarHBondContact O-CB 3.48Å; Y78-L82 PolarHBondContact O-N 3.4Å; L82-N84 PolarHBondContact O-N 3.22Å; L82-N84 VanDerWaalsContact O-N 3.11Å; L82-R85 PolarHBondContact O-N 3.3Å |
| 83 | S | 53.3 | Low | 43.5 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -19 | 174.9 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | Y79 K80 | Y79-S83 PolarHBondContact O-N 3.37Å; Y79-S83 PolarHBondContact O-OG 2.94Å; K80-S83 PolarHBondContact O-OG 2.94Å |
| 84 | N | 49.5 | Very low | 42.4 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 64% | 0.642 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -2.2 | -179.6 | -74.2 | -9.2 | 0 | 0 | 0 | 114.1 | D81 L82 | D81-N84 PolarHBondContact O-N 2.9Å; D81-N84 VanDerWaalsContact O-N 3.13Å; L82-N84 PolarHBondContact O-N 3.22Å; L82-N84 VanDerWaalsContact O-N 3.11Å |
| 85 | R | 39.2 | Very low | 41.5 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 57% | 0.574 | 65% | 0.653 | S | S | * | * | trans | -115.8 | 115.4 | 178.3 | -67.8 | -172.5 | -167.7 | -153 | 8 | 111.4 | D81 L82 L87 | D81-R85 PolarHBondContact O-N 2.86Å; D81-R85 IonicContact OD2-CZ 3.6Å; D81-R85 IonicContact OD2-NE 3.43Å; D81-R85 PolarHBondContact OD2-NE 2.77Å; D81-R85 IonicContact OD2-NH2 3.05Å; D81-R85 PolarHBondContact OD2-NH2 3.19Å; L82-R85 PolarHBondContact O-N 3.3Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 2.9Å | ||
| 86 | P | 41 | Very low | 40.8 | Very low | 127 Ų | 127 | 138 Ų | 138 | 83% | 0.825 | 66% | 0.663 | S | S | * | * | trans | -79.6 | 84.5 | 172.9 | 32.5 | -31.3 | 0 | 0 | 0 | 108.6 | ||||
| 87 | L | 47.3 | Very low | 40 | Very low | 127 Ų | 127 | 134 Ų | 134 | 67% | 0.665 | 66% | 0.661 | S | S | * | * | trans | -119.4 | 90.4 | 169.4 | -73 | 171.2 | 0 | 0 | 0 | 109.6 | R85 G89 | R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 2.9Å; L87-G89 PolarHBondContact O-N 3.32Å | ||
| 88 | N | 36.1 | Very low | 39.1 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 93% | 0.925 | 67% | 0.668 | S | S | * | * | trans | -39.2 | 118.6 | 137.6 | -93.6 | -25.7 | 0 | 0 | 0 | 108.9 | ||||
| 89 | G | 29.9 | Very low | 38.5 | Very low | 59 Ų | 59 | 133.7 Ų | 133.7 | 61% | 0.608 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 117.8 | 76.5 | 166 | 0 | 0 | 0 | 0 | 0 | 116.2 | L87 | L87-G89 PolarHBondContact O-N 3.32Š|
| 90 | Q | 29.5 | Very low | 37.5 | Very low | 160 Ų | 160 | 135 Ų | 135 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | trans | 50.5 | 94.9 | 139.1 | -54.6 | -174.8 | 11.1 | 0 | 0 | 119 | Y92 | Q90-Y92 HydrophobicContact CB-CD2 4.25Å; Q90-Y92 HydrophobicContact CB-CE2 4.08Å; Q90-Y92 HydrophobicContact CG-CE2 4.19Å | ||
| 91 | F | 35.5 | Very low | 36.6 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | trans | -99.9 | 108.6 | 153.5 | -84.9 | -92.7 | 0 | 0 | 0 | 109.3 | F93 | F91-F93 HydrophobicContact CD1-CE2 4.4Š| ||
| 92 | Y | 31.9 | Very low | 36 | Very low | 174 Ų | 174 | 141.2 Ų | 141.2 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | trans | -103.5 | 99.8 | 164.3 | -70.9 | -82.6 | 0 | 0 | 0 | 108.8 | Q90 | Q90-Y92 HydrophobicContact CB-CD2 4.25Å; Q90-Y92 HydrophobicContact CB-CE2 4.08Å; Q90-Y92 HydrophobicContact CG-CE2 4.19Å | ||
| 93 | F | 37.5 | Very low | 35.2 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 80% | 0.798 | 72% | 0.724 | S | S | * | * | trans | -80.4 | 110.3 | 152.1 | -84.1 | -86.8 | 0 | 0 | 0 | 106.8 | F91 L95 | F91-F93 HydrophobicContact CD1-CE2 4.4Å; F93-L95 VanDerWaalsContact C-N 3.29Å; F93-L95 PolarHBondContact O-N 3.36Å | ||
| 94 | F | 31.4 | Very low | 34.2 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | trans | -65.8 | 91.4 | 167.4 | -84.7 | -97.2 | 0 | 0 | 0 | 108.3 | P96 | F94-P96 WeakPolarHBondContact O-CD 3.22Š| ||
| 95 | L | 34.2 | Very low | 33.5 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | -73 | 119.1 | 154.9 | -161.7 | 79.1 | 0 | 0 | 0 | 106.2 | F93 T97 | F93-L95 VanDerWaalsContact C-N 3.29Å; F93-L95 PolarHBondContact O-N 3.36Å; L95-T97 PolarHBondContact O-N 2.8Å | ||
| 96 | P | 28.5 | Very low | 33.2 | Very low | 96 Ų | 96 | 146.6 Ų | 146.6 | 62% | 0.623 | 76% | 0.756 | S | S | * | * | trans | -57.5 | 126.2 | 179.4 | 19.7 | -29.6 | 0 | 0 | 0 | 110.2 | F94 E98 | F94-P96 WeakPolarHBondContact O-CD 3.22Å; P96-E98 PolarHBondContact O-N 3.23Å | ||
| 97 | T | 29.6 | Very low | 32.7 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -66.4 | 9.1 | -165.6 | -16.5 | 0 | 0 | 0 | 0 | 115.2 | L95 | L95-T97 PolarHBondContact O-N 2.8Š|
| 98 | E | 27.3 | Very low | 32.2 | Very low | 182 Ų | 182 | 145.5 Ų | 145.5 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -85.6 | -6.2 | -172.5 | -69.4 | -170 | 158.5 | 0 | 0 | 114.7 | P96 | P96-E98 PolarHBondContact O-N 3.23Š|
| 99 | I | 37.4 | Very low | 31.9 | Very low | 108 Ų | 108 | 148.8 Ų | 148.8 | 55% | 0.554 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -91 | -5.1 | -178.3 | -57.6 | 176.6 | 0 | 0 | 0 | 113.4 | R101 T102 | I99-R101 PolarHBondContact O-N 3.03Å; I99-T102 PolarHBondContact O-N 3.26Å |
| 100 | H | 30.7 | Very low | 31.8 | Very low | 181 Ų | 181 | 154.4 Ų | 154.4 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -65.6 | -4.3 | 176.6 | -106.9 | -88.5 | 0 | 0 | 0 | 114.8 | ||
| 101 | R | 28.1 | Very low | 31.7 | Very low | 241 Ų | 241 | 154.6 Ų | 154.6 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -91.7 | -4.7 | 179.3 | -93.2 | -173.3 | 177.1 | 165.5 | 0.8 | 116.5 | I99 | I99-R101 PolarHBondContact O-N 3.03Š|
| 102 | T | 34.1 | Very low | 31.4 | Very low | 110 Ų | 110 | 156.3 Ų | 156.3 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -118.2 | 98.7 | 170.5 | 48.7 | 0 | 0 | 0 | 0 | 109.2 | I99 W104 | I99-T102 PolarHBondContact O-N 3.26Å; T102-W104 PolarHBondContact O-N 2.97Å |
| 103 | G | 28 | Very low | 31.4 | Very low | 68 Ų | 68 | 157.9 Ų | 157.9 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | -48.2 | 124.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | P105 | G103-P105 WeakPolarHBondContact O-CD 3.44Š| ||
| 104 | W | 31.6 | Very low | 31.1 | Very low | 232 Ų | 232 | 156.7 Ų | 156.7 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -81.1 | 117.6 | 151.4 | -85 | -10.9 | 0 | 0 | 0 | 108.4 | T102 T106 | T102-W104 PolarHBondContact O-N 2.97Å; W104-T106 PolarHBondContact O-N 3.34Å | ||
| 105 | P | 33.9 | Very low | 31.1 | Very low | 121 Ų | 121 | 155 Ų | 155 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | -71.4 | 85.3 | 168.2 | 29.3 | -31 | 0 | 0 | 0 | 107.9 | G103 G107 | G103-P105 WeakPolarHBondContact O-CD 3.44Å; P105-G107 PolarHBondContact O-N 3.03Å | ||
| 106 | T | 34.2 | Very low | 30.9 | Very low | 138 Ų | 138 | 155.7 Ų | 155.7 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | trans | -67.9 | 82.7 | 163.1 | 46.4 | 0 | 0 | 0 | 0 | 107.6 | W104 | W104-T106 PolarHBondContact O-N 3.34Š| ||
| 107 | G | 30.3 | Very low | 31.1 | Very low | 56 Ų | 56 | 159.2 Ų | 159.2 | 58% | 0.577 | 82% | 0.817 | S | S | * | * | trans | -170.7 | 67.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | P105 | P105-G107 PolarHBondContact O-N 3.03Š| ||
| 108 | L | 36.8 | Very low | 31.1 | Very low | 176 Ų | 176 | 161.7 Ų | 161.7 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | trans | -145.1 | 81.7 | 151.2 | -75.7 | -177.1 | 0 | 0 | 0 | 110 | H110 | L108-H110 PolarHBondContact O-N 2.92Š| ||
| 109 | R | 29.3 | Very low | 31.4 | Very low | 241 Ų | 241 | 160.3 Ų | 160.3 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -44 | 120.6 | 152 | -172.7 | 178.6 | -177.3 | -178.6 | 0.5 | 109.1 | ||||
| 110 | H | 28.5 | Very low | 31 | Very low | 177 Ų | 177 | 164.1 Ų | 164.1 | 82% | 0.819 | 84% | 0.84 | S | S | * | * | trans | -129.3 | 127.4 | 163.8 | -142.7 | -56.3 | 0 | 0 | 0 | 110.7 | L108 | L108-H110 PolarHBondContact O-N 2.92Š| ||
| 111 | Q | 26.9 | Very low | 31 | Very low | 164 Ų | 164 | 162.8 Ų | 162.8 | 77% | 0.766 | 84% | 0.84 | S | S | * | * | trans | -63 | 142.3 | -169.9 | -64.7 | 158.7 | -18.5 | 0 | 0 | 113.2 | ||||
| 112 | H | 29.8 | Very low | 31.2 | Very low | 184 Ų | 184 | 156.3 Ų | 156.3 | 85% | 0.852 | 83% | 0.834 | S | S | * | * | trans | -129.1 | 109.3 | 149.2 | -119.2 | -79.9 | 0 | 0 | 0 | 106.3 | ||||
| 113 | T | 31.5 | Very low | 31 | Very low | 208 Ų | 208 | 160.5 Ų | 160.5 | 100% | 1.276 | 85% | 0.849 | S | S | * | * | trans | 56.8 | 0 | 163.4 | 23.6 | 0 | 0 | 0 | 0 | 118.5 |
Retrieved 113 of 113 residues in 18.1 ms
(Link to these results)